Discrete and continuum modelling of soil cutting

NASA Astrophysics Data System (ADS)

Coetzee, C. J.

2014-12-01

Both continuum and discrete methods are used to investigate the soil cutting process. The Discrete Element Method ( dem) is used for the discrete modelling and the Material-Point Method ( mpm) is used for continuum modelling. M pmis a so-called particle method or meshless finite element method. Standard finite element methods have difficulty in modelling the entire cutting process due to large displacements and deformation of the mesh. The use of meshless methods overcomes this problem. M pm can model large deformations, frictional contact at the soil-tool interface, and dynamic effects (inertia forces). In granular materials the discreteness of the system is often important and rotational degrees of freedom are active, which might require enhanced theoretical approaches like polar continua. In polar continuum theories, the material points are considered to possess orientations. A material point has three degrees-of-freedom for rigid rotations, in addition to the three classic translational degrees-of-freedom. The Cosserat continuum is the most transparent and straightforward extension of the nonpolar (classic) continuum. Two-dimensional dem and mpm (polar and nonpolar) simulations of the cutting problem are compared to experiments. The drag force and flow patterns are compared using cohesionless corn grains as material. The corn macro (continuum) and micro ( dem) properties were obtained from shear and oedometer tests. Results show that the dilatancy angle plays a significant role in the flow of material but has less of an influence on the draft force. Nonpolar mpm is the most accurate in predicting blade forces, blade-soil interface stresses and the position and orientation of shear bands. Polar mpm fails in predicting the orientation of the shear band, but is less sensitive to mesh size and mesh orientation compared to nonpolar mpm. dem simulations show less material dilation than observed during experiments.

Electrons and Phonons in Semiconductor Multilayers

NASA Astrophysics Data System (ADS)

Ridley, B. K.

1996-11-01

This book provides a detailed description of the quantum confinement of electrons and phonons in semiconductor wells, superlattices and quantum wires, and shows how this affects their mutual interactions. It discusses the transition from microscopic to continuum models, emphasizing the use of quasi-continuum theory to describe the confinement of optical phonons and electrons. The hybridization of optical phonons and their interactions with electrons are treated, as are other electron scattering mechanisms. The book concludes with an account of the electron distribution function in three-, two- and one-dimensional systems, in the presence of electrical or optical excitation. This text will be of great use to graduate students and researchers investigating low-dimensional semiconductor structures, as well as to those developing new devices based on these systems.

REX3DV1.0

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

Holm, Elizabeth A.

2002-03-28

This code is a FORTRAN code for three-dimensional Monte Carol Potts Model (MCPM) Recrystallization and grain growth. A continuum grain structure is mapped onto a three-dimensional lattice. The mapping procedure is analogous to color bitmapping the grain structure; grains are clusters of pixels (sites) of the same color (spin). The total system energy is given by the Pott Hamiltonian and the kinetics of grain growth are determined through a Monte Carlo technique with a nonconserved order parameter (Glauber dynamics). The code can be compiled and run on UNIX/Linux platforms.

Calculation of continuum damping of Alfvén eigenmodes in tokamak and stellarator equilibria

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

Bowden, G. W.; Hole, M. J.; Könies, A.

2015-09-15

In an ideal magnetohydrodynamic (MHD) plasma, shear Alfvén eigenmodes may experience dissipationless damping due to resonant interaction with the shear Alfvén continuum. This continuum damping can make a significant contribution to the overall growth/decay rate of shear Alfvén eigenmodes, with consequent implications for fast ion transport. One method for calculating continuum damping is to solve the MHD eigenvalue problem over a suitable contour in the complex plane, thereby satisfying the causality condition. Such an approach can be implemented in three-dimensional ideal MHD codes which use the Galerkin method. Analytic functions can be fitted to numerical data for equilibrium quantities inmore » order to determine the value of these quantities along the complex contour. This approach requires less resolution than the established technique of calculating damping as resistivity vanishes and is thus more computationally efficient. The complex contour method has been applied to the three-dimensional finite element ideal MHD Code for Kinetic Alfvén waves. In this paper, we discuss the application of the complex contour technique to calculate the continuum damping of global modes in tokamak as well as torsatron, W7-X and H-1NF stellarator cases. To the authors' knowledge, these stellarator calculations represent the first calculation of continuum damping for eigenmodes in fully three-dimensional equilibria. The continuum damping of global modes in W7-X and H-1NF stellarator configurations investigated is found to depend sensitively on coupling to numerous poloidal and toroidal harmonics.« less

An incompressible two-dimensional multiphase particle-in-cell model for dense particle flows

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

Snider, D.M.; O`Rourke, P.J.; Andrews, M.J.

1997-06-01

A two-dimensional, incompressible, multiphase particle-in-cell (MP-PIC) method is presented for dense particle flows. The numerical technique solves the governing equations of the fluid phase using a continuum model and those of the particle phase using a Lagrangian model. Difficulties associated with calculating interparticle interactions for dense particle flows with volume fractions above 5% have been eliminated by mapping particle properties to a Eulerian grid and then mapping back computed stress tensors to particle positions. This approach utilizes the best of Eulerian/Eulerian continuum models and Eulerian/Lagrangian discrete models. The solution scheme allows for distributions of types, sizes, and density of particles,more » with no numerical diffusion from the Lagrangian particle calculations. The computational method is implicit with respect to pressure, velocity, and volume fraction in the continuum solution thus avoiding courant limits on computational time advancement. MP-PIC simulations are compared with one-dimensional problems that have analytical solutions and with two-dimensional problems for which there are experimental data.« less

Ranges of applicability for the continuum beam model in the mechanics of carbon nanotubes and nanorods

NASA Technical Reports Server (NTRS)

Harik, V. M.

2001-01-01

Limitations in the validity of the continuum beam model for carbon nanotubes (NTs) and nanorods are examined. Applicability of all assumptions used in the model is restricted by the two criteria for geometric parameters that characterize the structure of NTs. The key non-dimensional parameters that control the NT buckling behavior are derived via dimensional analysis of the nanomechanical problem. A mechanical law of geometric similitude for NT buckling is extended from continuum mechanics for different molecular structures. A model applicability map, where two classes of beam-like NTs are identified, is constructed for distinct ranges of non-dimensional parameters. Expressions for the critical buckling loads and strains are tailored for two classes of NTs and compared with the data provided by the molecular dynamics simulations. copyright 2001 Elsevier Science Ltd. All rights reserved.

Literature Reviews on Modeling Internal Geometry of Textile Composites and Rate-Independent Continuum Damage

NASA Technical Reports Server (NTRS)

Su-Yuen, Hsu

2011-01-01

Textile composite materials have good potential for constructing composite structures where the effects of three-dimensional stresses are critical or geometric complexity is a manufacturing concern. There is a recent interest in advancing competence within Langley Research Center for modeling the degradation of mechanical properties of textile composites. In an initial effort, two critical areas are identified to pursue: (1) Construction of internal geometry of textile composites, and (2) Rate-independent continuum damage mechanics. This report documents reviews on the two subjects. Various reviewed approaches are categorized, their assumptions, methods, and progress are briefed, and then critiques are presented. Each review ends with recommended research.

Solution of the Burnett equations for hypersonic flows near the continuum limit

NASA Technical Reports Server (NTRS)

Imlay, Scott T.

1992-01-01

The INCA code, a three-dimensional Navier-Stokes code for analysis of hypersonic flowfields, was modified to analyze the lower reaches of the continuum transition regime, where the Navier-Stokes equations become inaccurate and Monte Carlo methods become too computationally expensive. The two-dimensional Burnett equations and the three-dimensional rotational energy transport equation were added to the code and one- and two-dimensional calculations were performed. For the structure of normal shock waves, the Burnett equations give consistently better results than Navier-Stokes equations and compare reasonably well with Monte Carlo methods. For two-dimensional flow of Nitrogen past a circular cylinder the Burnett equations predict the total drag reasonably well. Care must be taken, however, not to exceed the range of validity of the Burnett equations.

A software platform for continuum modeling of ion channels based on unstructured mesh

NASA Astrophysics Data System (ADS)

Tu, B.; Bai, S. Y.; Chen, M. X.; Xie, Y.; Zhang, L. B.; Lu, B. Z.

2014-01-01

Most traditional continuum molecular modeling adopted finite difference or finite volume methods which were based on a structured mesh (grid). Unstructured meshes were only occasionally used, but an increased number of applications emerge in molecular simulations. To facilitate the continuum modeling of biomolecular systems based on unstructured meshes, we are developing a software platform with tools which are particularly beneficial to those approaches. This work describes the software system specifically for the simulation of a typical, complex molecular procedure: ion transport through a three-dimensional channel system that consists of a protein and a membrane. The platform contains three parts: a meshing tool chain for ion channel systems, a parallel finite element solver for the Poisson-Nernst-Planck equations describing the electrodiffusion process of ion transport, and a visualization program for continuum molecular modeling. The meshing tool chain in the platform, which consists of a set of mesh generation tools, is able to generate high-quality surface and volume meshes for ion channel systems. The parallel finite element solver in our platform is based on the parallel adaptive finite element package PHG which wass developed by one of the authors [1]. As a featured component of the platform, a new visualization program, VCMM, has specifically been developed for continuum molecular modeling with an emphasis on providing useful facilities for unstructured mesh-based methods and for their output analysis and visualization. VCMM provides a graphic user interface and consists of three modules: a molecular module, a meshing module and a numerical module. A demonstration of the platform is provided with a study of two real proteins, the connexin 26 and hemolysin ion channels.

Ranges of Applicability for the Continuum-beam Model in the Constitutive Analysis of Carbon Nanotubes: Nanotubes or Nano-beams?

NASA Technical Reports Server (NTRS)

Harik, Vasyl Michael; Bushnell, Dennis M. (Technical Monitor)

2001-01-01

Ranges of validity for the continuum-beam model, the length-scale effects and continuum assumptions are analyzed in the framework of scaling analysis of NT structure. Two coupled criteria for the applicability of the continuum model are presented. Scaling analysis of NT buckling and geometric parameters (e.g., diameter and length) is carried out to determine the key non-dimensional parameters that control the buckling strains and modes of NT buckling. A model applicability map, which represents two classes of NTs, is constructed in the space of non-dimensional parameters. In an analogy with continuum mechanics, a mechanical law of geometric similitude is presented for two classes of beam-like NTs having different geometries. Expressions for the critical buckling loads and strains are tailored for the distinct groups of NTs and compared with the data provided by the molecular dynamics simulations. Implications for molecular dynamics simulations and the NT-based scanning probes are discussed.

Characterization of double continuum formulations of transport through pore-scale information

NASA Astrophysics Data System (ADS)

Porta, G.; Ceriotti, G.; Bijeljic, B.

2016-12-01

Information on pore-scale characteristics is becoming increasingly available at unprecedented levels of detail from modern visualization/data-acquisition techniques. These advancements are not completely matched by corresponding developments of operational procedures according to which we can engineer theoretical findings aiming at improving our ability to reduce the uncertainty associated with the outputs of continuum-scale models to be employed at large scales. We present here a modeling approach which rests on pore-scale information to achieve a complete characterization of a double continuum model of transport and fluid-fluid reactive processes. Our model makes full use of pore-scale velocity distributions to identify mobile and immobile regions. We do so on the basis of a pointwise (in the pore space) evaluation of the relative strength of advection and diffusion time scales, as rendered by spatially variable values of local Péclet numbers. After mobile and immobile regions are demarcated, we build a simplified unit cell which is employed as a representative proxy of the real porous domain. This model geometry is then employed to simplify the computation of the effective parameters embedded in the double continuum transport model, while retaining relevant information from the pore-scale characterization of the geometry and velocity field. We document results which illustrate the applicability of the methodology to predict transport of a passive tracer within two- and three-dimensional media upon comparison with direct pore-scale numerical simulation of transport in the same geometrical settings. We also show preliminary results about the extension of this model to fluid-fluid reactive transport processes. In this context, we focus on results obtained in two-dimensional porous systems. We discuss the impact of critical quantities required as input to our modeling approach to obtain continuum-scale outputs. We identify the key limitations of the proposed methodology and discuss its capability also in comparison with alternative approaches grounded, e.g., on nonlocal and particle-based approximations.

Elasticity of fractal materials using the continuum model with non-integer dimensional space

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2015-01-01

Using a generalization of vector calculus for space with non-integer dimension, we consider elastic properties of fractal materials. Fractal materials are described by continuum models with non-integer dimensional space. A generalization of elasticity equations for non-integer dimensional space, and its solutions for the equilibrium case of fractal materials are suggested. Elasticity problems for fractal hollow ball and cylindrical fractal elastic pipe with inside and outside pressures, for rotating cylindrical fractal pipe, for gradient elasticity and thermoelasticity of fractal materials are solved.

Angle-adjustable density field formulation for the modeling of crystalline microstructure

NASA Astrophysics Data System (ADS)

Wang, Zi-Le; Liu, Zhirong; Huang, Zhi-Feng

2018-05-01

A continuum density field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but challenging issue in modeling the structure and dynamics of a broad range of material systems across variable scales. This generalized phase field crystal-type approach is based upon the complete expansion of particle direct correlation functions and the concept of isotropic tensors. Through applications to the modeling of various two- and three-dimensional crystalline structures, our study demonstrates the capability of bond-angle control in this continuum field theory and its effects on the emergence of ordered phases, and provides a systematic way of performing tunable angle analyses for crystalline microstructures.

Fractal electrodynamics via non-integer dimensional space approach

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2015-09-01

Using the recently suggested vector calculus for non-integer dimensional space, we consider electrodynamics problems in isotropic case. This calculus allows us to describe fractal media in the framework of continuum models with non-integer dimensional space. We consider electric and magnetic fields of fractal media with charges and currents in the framework of continuum models with non-integer dimensional spaces. An application of the fractal Gauss's law, the fractal Ampere's circuital law, the fractal Poisson equation for electric potential, and equation for fractal stream of charges are suggested. Lorentz invariance and speed of light in fractal electrodynamics are discussed. An expression for effective refractive index of non-integer dimensional space is suggested.

Fundamentals of continuum mechanics – classical approaches and new trends

NASA Astrophysics Data System (ADS)

Altenbach, H.

2018-04-01

Continuum mechanics is a branch of mechanics that deals with the analysis of the mechanical behavior of materials modeled as a continuous manifold. Continuum mechanics models begin mostly by introducing of three-dimensional Euclidean space. The points within this region are defined as material points with prescribed properties. Each material point is characterized by a position vector which is continuous in time. Thus, the body changes in a way which is realistic, globally invertible at all times and orientation-preserving, so that the body cannot intersect itself and as transformations which produce mirror reflections are not possible in nature. For the mathematical formulation of the model it is also assumed to be twice continuously differentiable, so that differential equations describing the motion may be formulated. Finally, the kinematical relations, the balance equations, the constitutive and evolution equations and the boundary and/or initial conditions should be defined. If the physical fields are non-smooth jump conditions must be taken into account. The basic equations of continuum mechanics are presented following a short introduction. Additionally, some examples of solid deformable continua will be discussed within the presentation. Finally, advanced models of continuum mechanics will be introduced. The paper is dedicated to Alexander Manzhirov’s 60th birthday.

Modeling of Continuum Manipulators Using Pythagorean Hodograph Curves.

PubMed

Singh, Inderjeet; Amara, Yacine; Melingui, Achille; Mani Pathak, Pushparaj; Merzouki, Rochdi

2018-05-10

Research on continuum manipulators is increasingly developing in the context of bionic robotics because of their many advantages over conventional rigid manipulators. Due to their soft structure, they have inherent flexibility, which makes it a huge challenge to control them with high performances. Before elaborating a control strategy of such robots, it is essential to reconstruct first the behavior of the robot through development of an approximate behavioral model. This can be kinematic or dynamic depending on the conditions of operation of the robot itself. Kinematically, two types of modeling methods exist to describe the robot behavior; quantitative methods describe a model-based method, and qualitative methods describe a learning-based method. In kinematic modeling of continuum manipulator, the assumption of constant curvature is often considered to simplify the model formulation. In this work, a quantitative modeling method is proposed, based on the Pythagorean hodograph (PH) curves. The aim is to obtain a three-dimensional reconstruction of the shape of the continuum manipulator with variable curvature, allowing the calculation of its inverse kinematic model (IKM). It is noticed that the performances of the PH-based kinematic modeling of continuum manipulators are considerable regarding position accuracy, shape reconstruction, and time/cost of the model calculation, than other kinematic modeling methods, for two cases: free load manipulation and variable load manipulation. This modeling method is applied to the compact bionic handling assistant (CBHA) manipulator for validation. The results are compared with other IKMs developed in case of CBHA manipulator.

Wave dispersion and propagation in state-based peridynamics

NASA Astrophysics Data System (ADS)

Butt, Sahir N.; Timothy, Jithender J.; Meschke, Günther

2017-11-01

Peridynamics is a nonlocal continuum model which offers benefits over classical continuum models in cases, where discontinuities, such as cracks, are present in the deformation field. However, the nonlocal characteristics of peridynamics leads to a dispersive dynamic response of the medium. In this study we focus on the dispersion properties of a state-based linear peridynamic solid model and specifically investigate the role of the peridynamic horizon. We derive the dispersion relation for one, two and three dimensional cases and investigate the effect of horizon size, mesh size (lattice spacing) and the influence function on the dispersion properties. We show how the influence function can be used to minimize wave dispersion at a fixed lattice spacing and demonstrate it qualitatively by wave propagation analysis in one- and two-dimensional models of elastic solids. As a main contribution of this paper, we propose to associate peridynamic non-locality expressed by the horizon with a characteristic length scale related to the material microstructure. To this end, the dispersion curves obtained from peridynamics are compared with experimental data for two kinds of sandstone.

Shape design sensitivity analysis and optimization of three dimensional elastic solids using geometric modeling and automatic regridding. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Yao, Tse-Min; Choi, Kyung K.

1987-01-01

An automatic regridding method and a three dimensional shape design parameterization technique were constructed and integrated into a unified theory of shape design sensitivity analysis. An algorithm was developed for general shape design sensitivity analysis of three dimensional eleastic solids. Numerical implementation of this shape design sensitivity analysis method was carried out using the finite element code ANSYS. The unified theory of shape design sensitivity analysis uses the material derivative of continuum mechanics with a design velocity field that represents shape change effects over the structural design. Automatic regridding methods were developed by generating a domain velocity field with boundary displacement method. Shape design parameterization for three dimensional surface design problems was illustrated using a Bezier surface with boundary perturbations that depend linearly on the perturbation of design parameters. A linearization method of optimization, LINRM, was used to obtain optimum shapes. Three examples from different engineering disciplines were investigated to demonstrate the accuracy and versatility of this shape design sensitivity analysis method.

Tunneling Conductivity and Piezoresistivity of Composites Containing Randomly Dispersed Conductive Nano-Platelets

PubMed Central

Oskouyi, Amirhossein Biabangard; Sundararaj, Uttandaraman; Mertiny, Pierre

2014-01-01

In this study, a three-dimensional continuum percolation model was developed based on a Monte Carlo simulation approach to investigate the percolation behavior of an electrically insulating matrix reinforced with conductive nano-platelet fillers. The conductivity behavior of composites rendered conductive by randomly dispersed conductive platelets was modeled by developing a three-dimensional finite element resistor network. Parameters related to the percolation threshold and a power-low describing the conductivity behavior were determined. The piezoresistivity behavior of conductive composites was studied employing a reoriented resistor network emulating a conductive composite subjected to mechanical strain. The effects of the governing parameters, i.e., electron tunneling distance, conductive particle aspect ratio and size effects on conductivity behavior were examined. PMID:28788580

Towards a physics on fractals: Differential vector calculus in three-dimensional continuum with fractal metric

NASA Astrophysics Data System (ADS)

Balankin, Alexander S.; Bory-Reyes, Juan; Shapiro, Michael

2016-02-01

One way to deal with physical problems on nowhere differentiable fractals is the mapping of these problems into the corresponding problems for continuum with a proper fractal metric. On this way different definitions of the fractal metric were suggested to account for the essential fractal features. In this work we develop the metric differential vector calculus in a three-dimensional continuum with a non-Euclidean metric. The metric differential forms and Laplacian are introduced, fundamental identities for metric differential operators are established and integral theorems are proved by employing the metric version of the quaternionic analysis for the Moisil-Teodoresco operator, which has been introduced and partially developed in this paper. The relations between the metric and conventional operators are revealed. It should be emphasized that the metric vector calculus developed in this work provides a comprehensive mathematical formalism for the continuum with any suitable definition of fractal metric. This offers a novel tool to study physics on fractals.

Discrete spacetime, quantum walks, and relativistic wave equations

NASA Astrophysics Data System (ADS)

Mlodinow, Leonard; Brun, Todd A.

2018-04-01

It has been observed that quantum walks on regular lattices can give rise to wave equations for relativistic particles in the continuum limit. In this paper, we define the three-dimensional discrete-time walk as a product of three coined one-dimensional walks. The factor corresponding to each one-dimensional walk involves two projection operators that act on an internal coin space; each projector is associated with either the "forward" or "backward" direction in that physical dimension. We show that the simple requirement that there is no preferred axis or direction along an axis—that is, that the walk be symmetric under parity transformations and steps along different axes of the cubic lattice be uncorrelated—leads, in the case of the simplest solution, to the requirement that the continuum limit of the walk is fully Lorentz-invariant. We show further that, in the case of a massive particle, this symmetry requirement necessitates the use of a four-dimensional internal space (as in the Dirac equation). The "coin flip" operation is generated by the parity transformation on the internal coin space, while the differences of the projection operators associated with each dimension must all anticommute. Finally, we discuss the leading correction to the continuum limit, and the possibility of distinguishing through experiment between the discrete random walk and the continuum-based Dirac equation as a description of fermion dynamics.

Phonons around a soliton in a continuum model of t-(CH)x

NASA Astrophysics Data System (ADS)

Ono, Y.; Terai, A.; Wada, Y.

1986-05-01

The eigenvalue problem for phonons around a soliton in a continuum model of trans-polyacetylene t-(CH)x, the so-called TLM model (Takayama et al, 1980), is reinvestigated using a kernel which satisfies the correct boundary condition. The three localized modes are reproduced, two with even parity and one with odd parity. The phase-shift analysis of the extended modes confirms their existence if the one-dimensional version of Levinson's theorem is applicable to the present problem. It is found that the phase shifts of even and odd modes differ from each other in the long-wavelength limit. The conclusion of Ito et al. (1984), that the scattering of phonons by the soliton is reflectionless, has to be modified in this limit, where phonons suffer reflection from the soliton.

SCORE-EVET: a computer code for the multidimensional transient thermal-hydraulic analysis of nuclear fuel rod arrays. [BWR; PWR

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

Benedetti, R. L.; Lords, L. V.; Kiser, D. M.

1978-02-01

The SCORE-EVET code was developed to study multidimensional transient fluid flow in nuclear reactor fuel rod arrays. The conservation equations used were derived by volume averaging the transient compressible three-dimensional local continuum equations in Cartesian coordinates. No assumptions associated with subchannel flow have been incorporated into the derivation of the conservation equations. In addition to the three-dimensional fluid flow equations, the SCORE-EVET code ocntains: (a) a one-dimensional steady state solution scheme to initialize the flow field, (b) steady state and transient fuel rod conduction models, and (c) comprehensive correlation packages to describe fluid-to-fuel rod interfacial energy and momentum exchange. Velocitymore » and pressure boundary conditions can be specified as a function of time and space to model reactor transient conditions such as a hypothesized loss-of-coolant accident (LOCA) or flow blockage.« less

Three-dimensional couette flow of dusty fluid with heat transfer in the presence of magnetic field

NASA Astrophysics Data System (ADS)

Gayathri, R.; Govindarajan, A.; Sasikala, R.

2018-04-01

This paper is focused on the mathematical modelling of three-dimensional couette flow and heat transfer of a dusty fluid between two infinite horizontal parallel porous flat plates in the presence of an induced magnetic field. The problem is formulated using a continuum two-phase model and the resulting equations are solved analytically. The lower plate is stationary while the upper plate is undergoing uniform motion in its plane. These plates are, respectively subjected to transverse exponential injection and its corresponding removal by constant suction. Due to this type of injection velocity, the flow becomes three dimensional. The closed-form expressions for velocity and temperature fields of both the fluid and dust phase are obtained by solving the governing partial differentiation equations using the perturbation method. A selective set of graphical results is presented and discussed to show interesting features of the problem. It is found that the velocity profiles of both fluid and dust particles decrease due to the increase of (magnetic parameter) Hartmann number.

Gradient-based optimization with B-splines on sparse grids for solving forward-dynamics simulations of three-dimensional, continuum-mechanical musculoskeletal system models.

PubMed

Valentin, J; Sprenger, M; Pflüger, D; Röhrle, O

2018-05-01

Investigating the interplay between muscular activity and motion is the basis to improve our understanding of healthy or diseased musculoskeletal systems. To be able to analyze the musculoskeletal systems, computational models are used. Albeit some severe modeling assumptions, almost all existing musculoskeletal system simulations appeal to multibody simulation frameworks. Although continuum-mechanical musculoskeletal system models can compensate for some of these limitations, they are essentially not considered because of their computational complexity and cost. The proposed framework is the first activation-driven musculoskeletal system model, in which the exerted skeletal muscle forces are computed using 3-dimensional, continuum-mechanical skeletal muscle models and in which muscle activations are determined based on a constraint optimization problem. Numerical feasibility is achieved by computing sparse grid surrogates with hierarchical B-splines, and adaptive sparse grid refinement further reduces the computational effort. The choice of B-splines allows the use of all existing gradient-based optimization techniques without further numerical approximation. This paper demonstrates that the resulting surrogates have low relative errors (less than 0.76%) and can be used within forward simulations that are subject to constraint optimization. To demonstrate this, we set up several different test scenarios in which an upper limb model consisting of the elbow joint, the biceps and triceps brachii, and an external load is subjected to different optimization criteria. Even though this novel method has only been demonstrated for a 2-muscle system, it can easily be extended to musculoskeletal systems with 3 or more muscles. Copyright © 2018 John Wiley & Sons, Ltd.

Corporate Culture in a University Setting: An Analysis of Theory "X," Theory "Y" and Theory "Z" Cultures within University Academic Departments.

ERIC Educational Resources Information Center

Semlak, William D.; And Others

A study used M. Cuffe and J. F. Cragan's three-dimensional model for understanding corporate culture within an organization to describe the managerial styles of chairpersons at Illinois State University. Case studies were completed for 18 chairpersons, who then sorted 60 statements on leadership style on a forced choice continuum from most…

Towards a voxel-based geographic automata for the simulation of geospatial processes

NASA Astrophysics Data System (ADS)

Jjumba, Anthony; Dragićević, Suzana

2016-07-01

Many geographic processes evolve in a three dimensional space and time continuum. However, when they are represented with the aid of geographic information systems (GIS) or geosimulation models they are modelled in a framework of two-dimensional space with an added temporal component. The objective of this study is to propose the design and implementation of voxel-based automata as a methodological approach for representing spatial processes evolving in the four-dimensional (4D) space-time domain. Similar to geographic automata models which are developed to capture and forecast geospatial processes that change in a two-dimensional spatial framework using cells (raster geospatial data), voxel automata rely on the automata theory and use three-dimensional volumetric units (voxels). Transition rules have been developed to represent various spatial processes which range from the movement of an object in 3D to the diffusion of airborne particles and landslide simulation. In addition, the proposed 4D models demonstrate that complex processes can be readily reproduced from simple transition functions without complex methodological approaches. The voxel-based automata approach provides a unique basis to model geospatial processes in 4D for the purpose of improving representation, analysis and understanding their spatiotemporal dynamics. This study contributes to the advancement of the concepts and framework of 4D GIS.

Reproducing the nonlinear dynamic behavior of a structured beam with a generalized continuum model

NASA Astrophysics Data System (ADS)

Vila, J.; Fernández-Sáez, J.; Zaera, R.

2018-04-01

In this paper we study the coupled axial-transverse nonlinear vibrations of a kind of one dimensional structured solids by application of the so called Inertia Gradient Nonlinear continuum model. To show the accuracy of this axiomatic model, previously proposed by the authors, its predictions are compared with numeric results from a previously defined finite discrete chain of lumped masses and springs, for several number of particles. A continualization of the discrete model equations based on Taylor series allowed us to set equivalent values of the mechanical properties in both discrete and axiomatic continuum models. Contrary to the classical continuum model, the inertia gradient nonlinear continuum model used herein is able to capture scale effects, which arise for modes in which the wavelength is comparable to the characteristic distance of the structured solid. The main conclusion of the work is that the proposed generalized continuum model captures the scale effects in both linear and nonlinear regimes, reproducing the behavior of the 1D nonlinear discrete model adequately.

Comparative evaluation of transmembrane ion transport due to monopolar and bipolar nanosecond, high-intensity electroporation pulses based on full three-dimensional analyses

NASA Astrophysics Data System (ADS)

Hu, Q.; Joshi, R. P.

2017-07-01

Electric pulse driven membrane poration finds applications in the fields of biomedical engineering and drug/gene delivery. Here we focus on nanosecond, high-intensity electroporation and probe the role of pulse shape (e.g., monopolar-vs-bipolar), multiple electrode scenarios, and serial-versus-simultaneous pulsing, based on a three-dimensional time-dependent continuum model in a systematic fashion. Our results indicate that monopolar pulsing always leads to higher and stronger cellular uptake. This prediction is in agreement with experimental reports and observations. It is also demonstrated that multi-pronged electrode configurations influence and increase the degree of cellular uptake.

Multiscale synchrony behaviors of paired financial time series by 3D multi-continuum percolation

NASA Astrophysics Data System (ADS)

Wang, M.; Wang, J.; Wang, B. T.

2018-02-01

Multiscale synchrony behaviors and nonlinear dynamics of paired financial time series are investigated, in an attempt to study the cross correlation relationships between two stock markets. A random stock price model is developed by a new system called three-dimensional (3D) multi-continuum percolation system, which is utilized to imitate the formation mechanism of price dynamics and explain the nonlinear behaviors found in financial time series. We assume that the price fluctuations are caused by the spread of investment information. The cluster of 3D multi-continuum percolation represents the cluster of investors who share the same investment attitude. In this paper, we focus on the paired return series, the paired volatility series, and the paired intrinsic mode functions which are decomposed by empirical mode decomposition. A new cross recurrence quantification analysis is put forward, combining with multiscale cross-sample entropy, to investigate the multiscale synchrony of these paired series from the proposed model. The corresponding research is also carried out for two China stock markets as comparison.

Three dimensional finite temperature SU(3) gauge theory near the phase transition

NASA Astrophysics Data System (ADS)

Bialas, P.; Daniel, L.; Morel, A.; Petersson, B.

2013-06-01

We have measured the correlation function of Polyakov loops on the lattice in three dimensional SU(3) gauge theory near its finite temperature phase transition. Using a new and powerful application of finite size scaling, we furthermore extend the measurements of the critical couplings to considerably larger values of the lattice sizes, both in the temperature and space directions, than was investigated earlier in this theory. With the help of these measurements we perform a detailed finite size scaling analysis, showing that for the critical exponents of the two dimensional three state Potts model the mass and the susceptibility fall on unique scaling curves. This strongly supports the expectation that the gauge theory is in the same universality class. The Nambu-Goto string model on the other hand predicts that the exponent ν has the mean field value, which is quite different from the value in the abovementioned Potts model. Using our values of the critical couplings we also determine the continuum limit of the value of the critical temperature in terms of the square root of the zero temperature string tension. This value is very near to the prediction of the Nambu-Goto string model in spite of the different critical behaviour.

An Assessment of Five Modeling Approaches for Thermo-Mechanical Stress Analysis of Laminated Composite Panels

NASA Technical Reports Server (NTRS)

Noor, A. K.; Malik, M.

2000-01-01

A study is made of the effects of variation in the lamination and geometric parameters, and boundary conditions of multi-layered composite panels on the accuracy of the detailed response characteristics obtained by five different modeling approaches. The modeling approaches considered include four two-dimensional models, each with five parameters to characterize the deformation in the thickness direction, and a predictor-corrector approach with twelve displacement parameters. The two-dimensional models are first-order shear deformation theory, third-order theory; a theory based on trigonometric variation of the transverse shear stresses through the thickness, and a discrete layer theory. The combination of the following four key elements distinguishes the present study from previous studies reported in the literature: (1) the standard of comparison is taken to be the solutions obtained by using three-dimensional continuum models for each of the individual layers; (2) both mechanical and thermal loadings are considered; (3) boundary conditions other than simply supported edges are considered; and (4) quantities compared include detailed through-the-thickness distributions of transverse shear and transverse normal stresses. Based on the numerical studies conducted, the predictor-corrector approach appears to be the most effective technique for obtaining accurate transverse stresses, and for thermal loading, none of the two-dimensional models is adequate for calculating transverse normal stresses, even when used in conjunction with three-dimensional equilibrium equations.

Macroscopic traveling packet and soliton states of quasi-one-dimensional flocks.

PubMed

Guttenberg, Nicholas; Toner, John; Tu, Yuhai

2014-05-01

Using a continuum model for inhomogeneous flocks, we show that a finite but arbitrarily large moving "packet" of active particles (e.g., moving creatures) can form in a background of a lower density disordered phase of these particles, like a liquid drop surrounded by vapor. The "vapor density" of the disordered background can be made arbitrarily low. We find three basic types of quasi-one-dimensional states: "longitudinal", "transverse", and "oblique" states, with their internal velocity fields, respectively, parallel, perpendicular, and oblique to the interface. The transitions between these states are also studied.

A finite area scheme for shallow granular flows on three-dimensional surfaces

NASA Astrophysics Data System (ADS)

Rauter, Matthias

2017-04-01

Shallow granular flow models have become a popular tool for the estimation of natural hazards, such as landslides, debris flows and avalanches. The shallowness of the flow allows to reduce the three-dimensional governing equations to a quasi two-dimensional system. Three-dimensional flow fields are replaced by their depth-integrated two-dimensional counterparts, which yields a robust and fast method [1]. A solution for a simple shallow granular flow model, based on the so-called finite area method [3] is presented. The finite area method is an adaption of the finite volume method [4] to two-dimensional curved surfaces in three-dimensional space. This method handles the three dimensional basal topography in a simple way, making the model suitable for arbitrary (but mildly curved) topography, such as natural terrain. Furthermore, the implementation into the open source software OpenFOAM [4] is shown. OpenFOAM is a popular computational fluid dynamics application, designed so that the top-level code mimics the mathematical governing equations. This makes the code easy to read and extendable to more sophisticated models. Finally, some hints on how to get started with the code and how to extend the basic model will be given. I gratefully acknowledge the financial support by the OEAW project "beyond dense flow avalanches". Savage, S. B. & Hutter, K. 1989 The motion of a finite mass of granular material down a rough incline. Journal of Fluid Mechanics 199, 177-215. Ferziger, J. & Peric, M. 2002 Computational methods for fluid dynamics, 3rd edn. Springer. Tukovic, Z. & Jasak, H. 2012 A moving mesh finite volume interface tracking method for surface tension dominated interfacial fluid flow. Computers & fluids 55, 70-84. Weller, H. G., Tabor, G., Jasak, H. & Fureby, C. 1998 A tensorial approach to computational continuum mechanics using object-oriented techniques. Computers in physics 12(6), 620-631.

A continuum mechanics-based musculo-mechanical model for esophageal transport

NASA Astrophysics Data System (ADS)

Kou, Wenjun; Griffith, Boyce E.; Pandolfino, John E.; Kahrilas, Peter J.; Patankar, Neelesh A.

2017-11-01

In this work, we extend our previous esophageal transport model using an immersed boundary (IB) method with discrete fiber-based structural model, to one using a continuum mechanics-based model that is approximated based on finite elements (IB-FE). To deal with the leakage of flow when the Lagrangian mesh becomes coarser than the fluid mesh, we employ adaptive interaction quadrature points to deal with Lagrangian-Eulerian interaction equations based on a previous work (Griffith and Luo [1]). In particular, we introduce a new anisotropic adaptive interaction quadrature rule. The new rule permits us to vary the interaction quadrature points not only at each time-step and element but also at different orientations per element. This helps to avoid the leakage issue without sacrificing the computational efficiency and accuracy in dealing with the interaction equations. For the material model, we extend our previous fiber-based model to a continuum-based model. We present formulations for general fiber-reinforced material models in the IB-FE framework. The new material model can handle non-linear elasticity and fiber-matrix interactions, and thus permits us to consider more realistic material behavior of biological tissues. To validate our method, we first study a case in which a three-dimensional short tube is dilated. Results on the pressure-displacement relationship and the stress distribution matches very well with those obtained from the implicit FE method. We remark that in our IB-FE case, the three-dimensional tube undergoes a very large deformation and the Lagrangian mesh-size becomes about 6 times of Eulerian mesh-size in the circumferential orientation. To validate the performance of the method in handling fiber-matrix material models, we perform a second study on dilating a long fiber-reinforced tube. Errors are small when we compare numerical solutions with analytical solutions. The technique is then applied to the problem of esophageal transport. We use two fiber-reinforced models for the esophageal tissue: a bi-linear model and an exponential model. We present three cases on esophageal transport that differ in the material model and the muscle fiber architecture. The overall transport features are consistent with those observed from the previous model. We remark that the continuum-based model can handle more realistic and complicated material behavior. This is demonstrated in our third case where a spatially varying fiber architecture is included based on experimental study. We find that this unique muscle fiber architecture could generate a so-called pressure transition zone, which is a luminal pressure pattern that is of clinical interest. This suggests an important role of muscle fiber architecture in esophageal transport.

Mechanics of the foot Part 2: A coupled solid-fluid model to investigate blood transport in the pathologic foot.

PubMed

Mithraratne, K; Ho, H; Hunter, P J; Fernandez, J W

2012-10-01

A coupled computational model of the foot consisting of a three-dimensional soft tissue continuum and a one-dimensional (1D) transient blood flow network is presented in this article. The primary aim of the model is to investigate the blood flow in major arteries of the pathologic foot where the soft tissue stiffening occurs. It has been reported in the literature that there could be up to about five-fold increase in the mechanical stiffness of the plantar soft tissues in pathologic (e.g. diabetic) feet compared with healthy ones. The increased stiffness results in higher tissue hydrostatic pressure within the plantar area of the foot when loaded. The hydrostatic pressure acts on the external surface of blood vessels and tend to reduce the flow cross-section area and hence the blood supply. The soft tissue continuum model of the foot was modelled as a tricubic Hermite finite element mesh representing all the muscles, skin and fat of the foot and treated as incompressible with transversely isotropic properties. The details of the mechanical model of soft tissue are presented in the companion paper, Part 1. The deformed state of the soft tissue continuum because of the applied ground reaction force at three foot positions (heel-strike, midstance and toe-off) was obtained by solving the Cauchy equations based on the theory of finite elasticity using the Galerkin finite element method. The geometry of the main arterial network in the foot was represented using a 1D Hermite cubic finite element mesh. The flow model consists of 1D Navier-Stokes equations and a nonlinear constitutive equation to describe vessel radius-transmural pressure relation. The latter was defined as the difference between the fluid and soft tissue hydrostatic pressure. Transient flow governing equations were numerically solved using the two-step Lax-Wendroff finite difference method. The geometry of both the soft tissue continuum and arterial network is anatomically-based and was developed using the data derived from visible human images and magnetic resonance images of a healthy male volunteer. Simulation results reveal that a two-fold increase in tissue stiffness leads to about 28% reduction in blood flow to the affected region. Copyright © 2012 John Wiley & Sons, Ltd.

Three-dimensional implementation of the Low Diffusion method for continuum flow simulations

NASA Astrophysics Data System (ADS)

Mirza, A.; Nizenkov, P.; Pfeiffer, M.; Fasoulas, S.

2017-11-01

Concepts of a particle-based continuum method have existed for many years. The ultimate goal is to couple such a method with the Direct Simulation Monte Carlo (DSMC) in order to bridge the gap of numerical tools in the treatment of the transitional flow regime between near-equilibrium and rarefied gas flows. For this purpose, the Low Diffusion (LD) method, introduced first by Burt and Boyd, offers a promising solution. In this paper, the LD method is revisited and the implementation in a modern particle solver named PICLas is given. The modifications of the LD routines enable three-dimensional continuum flow simulations. The implementation is successfully verified through a series of test cases: simple stationary shock, oblique shock simulation and thermal Couette flow. Additionally, the capability of this method is demonstrated by the simulation of a hypersonic nitrogen flow around a 70°-blunted cone. Overall results are in very good agreement with experimental data. Finally, the scalability of PICLas using LD on a high performance cluster is presented.

Spin waves, vortices, fermions, and duality in the Ising and Baxter models

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

Ogilvie, M.C.

1981-10-15

Field-theoretic methods are applied to a number of two-dimensional lattice models with Abelian symmetry groups. It is shown, using a vortex+spin-wave decomposition, that the Z/sub p/-Villain models are related to a class of continuum field theories with analogous duality properties. Fermion operators for these field theories are discussed. In the case of the Ising model, the vortices and spin-waves conspire to produce a free, massive Majorana field theory in the continuum limit. The continuum limit of the Baxter model is also studied, and the recent results of Kadanoff and Brown are rederived and extended.

Generation of Complex Karstic Conduit Networks with a Hydro-chemical Model

NASA Astrophysics Data System (ADS)

De Rooij, R.; Graham, W. D.

2016-12-01

The discrete-continuum approach is very well suited to simulate flow and solute transport within karst aquifers. Using this approach, discrete one-dimensional conduits are embedded within a three-dimensional continuum representative of the porous limestone matrix. Typically, however, little is known about the geometry of the karstic conduit network. As such the discrete-continuum approach is rarely used for practical applications. It may be argued, however, that the uncertainty associated with the geometry of the network could be handled by modeling an ensemble of possible karst conduit networks within a stochastic framework. We propose to generate stochastically realistic karst conduit networks by simulating the widening of conduits as caused by the dissolution of limestone over geological relevant timescales. We illustrate that advanced numerical techniques permit to solve the non-linear and coupled hydro-chemical processes efficiently, such that relatively large and complex networks can be generated in acceptable time frames. Instead of specifying flow boundary conditions on conduit cells to recharge the network as is typically done in classical speleogenesis models, we specify an effective rainfall rate over the land surface and let model physics determine the amount of water entering the network. This is advantageous since the amount of water entering the network is extremely difficult to reconstruct, whereas the effective rainfall rate may be quantified using paleoclimatic data. Furthermore, we show that poorly known flow conditions may be constrained by requiring a realistic flow field. Using our speleogenesis model we have investigated factors that influence the geometry of simulated conduit networks. We illustrate that our model generates typical branchwork, network and anastomotic conduit systems. Flow, solute transport and water ages in karst aquifers are simulated using a few illustrative networks.

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.

Computational study of effects of tension imbalance on phonation in a three-dimensional tubular larynx model.

PubMed

Xue, Qian; Zheng, Xudong; Mittal, Rajat; Bielamowicz, Steven

2014-07-01

The present study explores the use of a continuum-based computational model to investigate the effect of left-right tension imbalance on vocal fold (VF) vibrations and glottal aerodynamics, as well as its implication on phonation. The study allows us to gain new insights into the underlying physical mechanism of irregularities induced by VF tension imbalance associated with unilateral cricothyroid muscle paralysis. A three-dimensional simulation of glottal flow and VF dynamics in a tubular laryngeal model with tension imbalance was conducted by using a coupled flow-structure interaction computational model. Tension imbalance was modeled by reducing by 20% the Young's modulus of one of the VFs, while holding VF length constant. Effects of tension imbalance on vibratory characteristic of the VFs and on the time-varying properties of glottal airflow as well as the aerodynamic energy transfer are comprehensively analyzed. The analysis demonstrates that the continuum-based biomechanical model can provide a good description of phonatory dynamics in tension imbalance conditions. It is found that although 20% tension imbalance does not have noticeable effects on the fundamental frequency, it does lead to a larger glottal flow leakage and asymmetric vibrations of the two VFs. A detailed analysis of the energy transfer suggests that the majority of the energy is consumed by the lateral motion of the VFs and the net energy transferred to the softer fold is less than the one transferred to the normal fold. Copyright © 2014 The Voice Foundation. Published by Mosby, Inc. All rights reserved.

Biofilm growth program and architecture revealed by single-cell live imaging

NASA Astrophysics Data System (ADS)

Yan, Jing; Sabass, Benedikt; Stone, Howard; Wingreen, Ned; Bassler, Bonnie

Biofilms are surface-associated bacterial communities. Little is known about biofilm structure at the level of individual cells. We image living, growing Vibrio cholerae biofilms from founder cells to ten thousand cells at single-cell resolution, and discover the forces underpinning the architectural evolution of the biofilm. Mutagenesis, matrix labeling, and simulations demonstrate that surface-adhesion-mediated compression causes V. cholerae biofilms to transition from a two-dimensional branched morphology to a dense, ordered three-dimensional cluster. We discover that directional proliferation of rod-shaped bacteria plays a dominant role in shaping the biofilm architecture, and this growth pattern is controlled by a single gene. Competition analyses reveal the advantages of the dense growth mode in providing the biofilm with superior mechanical properties. We will further present continuum theory to model the three-dimensional growth of biofilms at the solid-liquid interface as well as solid-air interface.

Transient Stress Wave Propagation in One-Dimensional Micropolar Bodies

DTIC Science & Technology

2009-02-01

based on Biot’s theory of poro- elasticity. Two compressional waves were then observed in the resulting one-dimensional model of a poroelastic column...Lisina, S., Potapov, A., Nesterenko, V., 2001. A nonlinear granular medium with particle rotation: a one-dimensional model . Acoustical Physics 47 (5...zones in failed ceramics, may be modeled using continuum theories incorporating additional kinematic degrees of freedom beyond the scope of classical

An Embedded Statistical Method for Coupling Molecular Dynamics and Finite Element Analyses

NASA Technical Reports Server (NTRS)

Saether, E.; Glaessgen, E.H.; Yamakov, V.

2008-01-01

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin; Saether, Erik; Glaessgen, Edward H/.

2008-01-01

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Two-dimensional N = 2 Super-Yang-Mills Theory

NASA Astrophysics Data System (ADS)

August, Daniel; Wellegehausen, Björn; Wipf, Andreas

2018-03-01

Supersymmetry is one of the possible scenarios for physics beyond the standard model. The building blocks of this scenario are supersymmetric gauge theories. In our work we study the N = 1 Super-Yang-Mills (SYM) theory with gauge group SU(2) dimensionally reduced to two-dimensional N = 2 SYM theory. In our lattice formulation we break supersymmetry and chiral symmetry explicitly while preserving R symmetry. By fine tuning the bar-mass of the fermions in the Lagrangian we construct a supersymmetric continuum theory. To this aim we carefully investigate mass spectra and Ward identities, which both show a clear signal of supersymmetry restoration in the continuum limit.

Anisotropic fractal media by vector calculus in non-integer dimensional space

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2014-08-01

A review of different approaches to describe anisotropic fractal media is proposed. In this paper, differentiation and integration non-integer dimensional and multi-fractional spaces are considered as tools to describe anisotropic fractal materials and media. We suggest a generalization of vector calculus for non-integer dimensional space by using a product measure method. The product of fractional and non-integer dimensional spaces allows us to take into account the anisotropy of the fractal media in the framework of continuum models. The integration over non-integer-dimensional spaces is considered. In this paper differential operators of first and second orders for fractional space and non-integer dimensional space are suggested. The differential operators are defined as inverse operations to integration in spaces with non-integer dimensions. Non-integer dimensional space that is product of spaces with different dimensions allows us to give continuum models for anisotropic type of the media. The Poisson's equation for fractal medium, the Euler-Bernoulli fractal beam, and the Timoshenko beam equations for fractal material are considered as examples of application of suggested generalization of vector calculus for anisotropic fractal materials and media.

Constitutive Modeling of Nanotube-Reinforced Polymer Composites

NASA Technical Reports Server (NTRS)

Odegard, G. M.; Gates, T. S.; Wise, K. E.

2002-01-01

In this study, a technique is presented for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Because the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be considered continuous, and the bulk mechanical properties can no longer be determined through traditional micromechanical approaches that are formulated by using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method. The effective fiber serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composites with various nanotube shapes, sizes, concentrations, and orientations. As an example, the proposed approach is used for the constitutive modeling of two SWNT/LaRC-SI (with a PmPV interface) composite systems, one with aligned SWNTs and the other with three-dimensionally randomly oriented SWNTs. The Young's modulus and shear modulus have been calculated for the two systems for various nanotube lengths and volume fractions.

SedFoam-2.0: a 3-D two-phase flow numerical model for sediment transport

NASA Astrophysics Data System (ADS)

Chauchat, Julien; Cheng, Zhen; Nagel, Tim; Bonamy, Cyrille; Hsu, Tian-Jian

2017-11-01

In this paper, a three-dimensional two-phase flow solver, SedFoam-2.0, is presented for sediment transport applications. The solver is extended from twoPhaseEulerFoam available in the 2.1.0 release of the open-source CFD (computational fluid dynamics) toolbox OpenFOAM. In this approach the sediment phase is modeled as a continuum, and constitutive laws have to be prescribed for the sediment stresses. In the proposed solver, two different intergranular stress models are implemented: the kinetic theory of granular flows and the dense granular flow rheology μ(I). For the fluid stress, laminar or turbulent flow regimes can be simulated and three different turbulence models are available for sediment transport: a simple mixing length model (one-dimensional configuration only), a k - ɛ, and a k - ω model. The numerical implementation is demonstrated on four test cases: sedimentation of suspended particles, laminar bed load, sheet flow, and scour at an apron. These test cases illustrate the capabilities of SedFoam-2.0 to deal with complex turbulent sediment transport problems with different combinations of intergranular stress and turbulence models.

Angular resolution and range of dipole-dipole correlations in water

NASA Astrophysics Data System (ADS)

Mathias, Gerald; Tavan, Paul

2004-03-01

We investigate the dipolar correlations in liquid water at angular resolution by molecular-dynamics simulations of a large periodic simulation system containing about 40 000 molecules. Because we are particularly interested in the long-range ordering, we use a simple three-point model for these molecules. The electrostatics is treated both by Ewald summation and by minimum image truncation combined with a reaction field approach. To gain insight into the angular dependence of the simulated dipolar ordering we introduce a suitable expansion of the molecular pair distribution function into a set of two-dimensional correlation functions. We show that these functions enable detailed insights into the shell structure of the dipolar ordering around a given water molecule. For these functions we derive analytical expressions in the particular case in which liquid water is conceived as a dielectric continuum. Comparisons of these continuum models with the correlation functions derived from the simulations yield the key result that liquid water behaves like a continuum dielectric beyond distances of about 15 Å from a given water molecule. We argue that this should be a generic property of water independent of our modeling. By comparison of the results of the two different electrostatics treatments with the continuum description we show that the boundary artifacts occurring in both methods are isotropically distributed and are locally small in the respective boundary regions.

Critical flavor number of the Thirring model in three dimensions

NASA Astrophysics Data System (ADS)

Wellegehausen, Björn H.; Schmidt, Daniel; Wipf, Andreas

2017-11-01

The Thirring model is a four-fermion theory with a current-current interaction and U (2 N ) chiral symmetry. It is closely related to three-dimensional QED and other models used to describe properties of graphene. In addition, it serves as a toy model to study chiral symmetry breaking. In the limit of flavor number N →1 /2 it is equivalent to the Gross-Neveu model, which shows a parity-breaking discrete phase transition. The model was already studied with different methods, including Dyson-Schwinger equations, functional renormalization group methods, and lattice simulations. Most studies agree that there is a phase transition from a symmetric phase to a spontaneously broken phase for a small number of fermion flavors, but no symmetry breaking for large N . But there is no consensus on the critical flavor number Ncr above which there is no phase transition anymore and on further details of the critical behavior. Values of N found in the literature vary between 2 and 7. All earlier lattice studies were performed with staggered fermions. Thus it is questionable if in the continuum limit the lattice model recovers the internal symmetries of the continuum model. We present new results from lattice Monte Carlo simulations of the Thirring model with SLAC fermions which exactly implement all internal symmetries of the continuum model even at finite lattice spacing. If we reformulate the model in an irreducible representation of the Clifford algebra, we find, in contradiction to earlier results, that the behavior for even and odd flavor numbers is very different: for even flavor numbers, chiral and parity symmetry are always unbroken; for odd flavor numbers, parity symmetry is spontaneously broken below the critical flavor number Nircr=9 , while chiral symmetry is still unbroken.

Integrating competing dimensional models of personality: linking the SNAP, TCI, and NEO using Item Response Theory.

PubMed

Stepp, Stephanie D; Yu, Lan; Miller, Joshua D; Hallquist, Michael N; Trull, Timothy J; Pilkonis, Paul A

2012-04-01

Mounting evidence suggests that several inventories assessing both normal personality and personality disorders measure common dimensional personality traits (i.e., Antagonism, Constraint, Emotional Instability, Extraversion, and Unconventionality), albeit providing unique information along the underlying trait continuum. We used Widiger and Simonsen's (2005) pantheoretical integrative model of dimensional personality assessment as a guide to create item pools. We then used Item Response Theory (IRT) to compare the assessment of these five personality traits across three established dimensional measures of personality: the Schedule for Nonadaptive and Adaptive Personality (SNAP), the Temperament and Character Inventory (TCI), and the Revised NEO Personality Inventory (NEO PI-R). We found that items from each inventory map onto these five common personality traits in predictable ways. The IRT analyses, however, documented considerable variability in the item and test information derived from each inventory. Our findings support the notion that the integration of multiple perspectives will provide greater information about personality while minimizing the weaknesses of any single instrument.

Integrating Competing Dimensional Models of Personality: Linking the SNAP, TCI, and NEO Using Item Response Theory

PubMed Central

Stepp, Stephanie D.; Yu, Lan; Miller, Joshua D.; Hallquist, Michael N.; Trull, Timothy J.; Pilkonis, Paul A.

2013-01-01

Mounting evidence suggests that several inventories assessing both normal personality and personality disorders measure common dimensional personality traits (i.e., Antagonism, Constraint, Emotional Instability, Extraversion, and Unconventionality), albeit providing unique information along the underlying trait continuum. We used Widiger and Simonsen’s (2005) pantheoretical integrative model of dimensional personality assessment as a guide to create item pools. We then used Item Response Theory (IRT) to compare the assessment of these five personality traits across three established dimensional measures of personality: the Schedule for Nonadaptive and Adaptive Personality (SNAP), the Temperament and Character Inventory (TCI), and the Revised NEO Personality Inventory (NEO PI-R). We found that items from each inventory map onto these five common personality traits in predictable ways. The IRT analyses, however, documented considerable variability in the item and test information derived from each inventory. Our findings support the notion that the integration of multiple perspectives will provide greater information about personality while minimizing the weaknesses of any single instrument. PMID:22452759

Vectorization of a particle simulation method for hypersonic rarefied flow

NASA Technical Reports Server (NTRS)

Mcdonald, Jeffrey D.; Baganoff, Donald

1988-01-01

An efficient particle simulation technique for hypersonic rarefied flows is presented at an algorithmic and implementation level. The implementation is for a vector computer architecture, specifically the Cray-2. The method models an ideal diatomic Maxwell molecule with three translational and two rotational degrees of freedom. Algorithms are designed specifically for compatibility with fine grain parallelism by reducing the number of data dependencies in the computation. By insisting on this compatibility, the method is capable of performing simulation on a much larger scale than previously possible. A two-dimensional simulation of supersonic flow over a wedge is carried out for the near-continuum limit where the gas is in equilibrium and the ideal solution can be used as a check on the accuracy of the gas model employed in the method. Also, a three-dimensional, Mach 8, rarefied flow about a finite-span flat plate at a 45 degree angle of attack was simulated. It utilized over 10 to the 7th particles carried through 400 discrete time steps in less than one hour of Cray-2 CPU time. This problem was chosen to exhibit the capability of the method in handling a large number of particles and a true three-dimensional geometry.

Social phobia: further evidence of dimensional structure.

PubMed

Crome, Erica; Baillie, Andrew; Slade, Tim; Ruscio, Ayelet Meron

2010-11-01

Social phobia is a common mental disorder associated with significant impairment. Current research and treatment models of social phobia rely on categorical diagnostic conceptualizations lacking empirical support. This study aims to further research exploring whether social phobia is best conceptualized as a dimension or a discrete categorical disorder. This study used three distinct taxometric techniques (mean above minus below a cut, maximum Eigen value and latent mode) to explore the latent structure of social phobia in two large epidemiological samples, using indicators derived from diagnostic criteria and associated avoidant personality traits. Overall, outcomes from multiple taxometric analyses supported dimensional structure. This is consistent with conceptualizations of social phobia as lying on a continuum with avoidant personality traits. Support for the dimensionality of social phobia has important implications for future research, assessment, treatment, and public policy.

IMPETUS - Interactive MultiPhysics Environment for Unified Simulations.

PubMed

Ha, Vi Q; Lykotrafitis, George

2016-12-08

We introduce IMPETUS - Interactive MultiPhysics Environment for Unified Simulations, an object oriented, easy-to-use, high performance, C++ program for three-dimensional simulations of complex physical systems that can benefit a large variety of research areas, especially in cell mechanics. The program implements cross-communication between locally interacting particles and continuum models residing in the same physical space while a network facilitates long-range particle interactions. Message Passing Interface is used for inter-processor communication for all simulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Combining cellular automata and Lattice Boltzmann method to model multiscale avascular tumor growth coupled with nutrient diffusion and immune competition.

PubMed

Alemani, Davide; Pappalardo, Francesco; Pennisi, Marzio; Motta, Santo; Brusic, Vladimir

2012-02-28

In the last decades the Lattice Boltzmann method (LB) has been successfully used to simulate a variety of processes. The LB model describes the microscopic processes occurring at the cellular level and the macroscopic processes occurring at the continuum level with a unique function, the probability distribution function. Recently, it has been tried to couple deterministic approaches with probabilistic cellular automata (probabilistic CA) methods with the aim to model temporal evolution of tumor growths and three dimensional spatial evolution, obtaining hybrid methodologies. Despite the good results attained by CA-PDE methods, there is one important issue which has not been completely solved: the intrinsic stochastic nature of the interactions at the interface between cellular (microscopic) and continuum (macroscopic) level. CA methods are able to cope with the stochastic phenomena because of their probabilistic nature, while PDE methods are fully deterministic. Even if the coupling is mathematically correct, there could be important statistical effects that could be missed by the PDE approach. For such a reason, to be able to develop and manage a model that takes into account all these three level of complexity (cellular, molecular and continuum), we believe that PDE should be replaced with a statistic and stochastic model based on the numerical discretization of the Boltzmann equation: The Lattice Boltzmann (LB) method. In this work we introduce a new hybrid method to simulate tumor growth and immune system, by applying Cellular Automata Lattice Boltzmann (CA-LB) approach. Copyright © 2011 Elsevier B.V. All rights reserved.

An optical flow-based state-space model of the vocal folds.

PubMed

Granados, Alba; Brunskog, Jonas

2017-06-01

High-speed movies of the vocal fold vibration are valuable data to reveal vocal fold features for voice pathology diagnosis. This work presents a suitable Bayesian model and a purely theoretical discussion for further development of a framework for continuum biomechanical features estimation. A linear and Gaussian nonstationary state-space model is proposed and thoroughly discussed. The evolution model is based on a self-sustained three-dimensional finite element model of the vocal folds, and the observation model involves a dense optical flow algorithm. The results show that the method is able to capture different deformation patterns between the computed optical flow and the finite element deformation, controlled by the choice of the model tissue parameters.

Stochastic simulation tools and continuum models for describing two-dimensional collective cell spreading with universal growth functions

NASA Astrophysics Data System (ADS)

Jin, Wang; Penington, Catherine J.; McCue, Scott W.; Simpson, Matthew J.

2016-10-01

Two-dimensional collective cell migration assays are used to study cancer and tissue repair. These assays involve combined cell migration and cell proliferation processes, both of which are modulated by cell-to-cell crowding. Previous discrete models of collective cell migration assays involve a nearest-neighbour proliferation mechanism where crowding effects are incorporated by aborting potential proliferation events if the randomly chosen target site is occupied. There are two limitations of this traditional approach: (i) it seems unreasonable to abort a potential proliferation event based on the occupancy of a single, randomly chosen target site; and, (ii) the continuum limit description of this mechanism leads to the standard logistic growth function, but some experimental evidence suggests that cells do not always proliferate logistically. Motivated by these observations, we introduce a generalised proliferation mechanism which allows non-nearest neighbour proliferation events to take place over a template of r≥slant 1 concentric rings of lattice sites. Further, the decision to abort potential proliferation events is made using a crowding function, f(C), which accounts for the density of agents within a group of sites rather than dealing with the occupancy of a single randomly chosen site. Analysing the continuum limit description of the stochastic model shows that the standard logistic source term, λ C(1-C), where λ is the proliferation rate, is generalised to a universal growth function, λ C f(C). Comparing the solution of the continuum description with averaged simulation data indicates that the continuum model performs well for many choices of f(C) and r. For nonlinear f(C), the quality of the continuum-discrete match increases with r.

Stochastic simulation tools and continuum models for describing two-dimensional collective cell spreading with universal growth functions.

PubMed

Jin, Wang; Penington, Catherine J; McCue, Scott W; Simpson, Matthew J

2016-10-07

Two-dimensional collective cell migration assays are used to study cancer and tissue repair. These assays involve combined cell migration and cell proliferation processes, both of which are modulated by cell-to-cell crowding. Previous discrete models of collective cell migration assays involve a nearest-neighbour proliferation mechanism where crowding effects are incorporated by aborting potential proliferation events if the randomly chosen target site is occupied. There are two limitations of this traditional approach: (i) it seems unreasonable to abort a potential proliferation event based on the occupancy of a single, randomly chosen target site; and, (ii) the continuum limit description of this mechanism leads to the standard logistic growth function, but some experimental evidence suggests that cells do not always proliferate logistically. Motivated by these observations, we introduce a generalised proliferation mechanism which allows non-nearest neighbour proliferation events to take place over a template of [Formula: see text] concentric rings of lattice sites. Further, the decision to abort potential proliferation events is made using a crowding function, f(C), which accounts for the density of agents within a group of sites rather than dealing with the occupancy of a single randomly chosen site. Analysing the continuum limit description of the stochastic model shows that the standard logistic source term, [Formula: see text], where λ is the proliferation rate, is generalised to a universal growth function, [Formula: see text]. Comparing the solution of the continuum description with averaged simulation data indicates that the continuum model performs well for many choices of f(C) and r. For nonlinear f(C), the quality of the continuum-discrete match increases with r.

Modern cosmology and the origin of our three dimensionality.

PubMed

Woodbury, M A; Woodbury, M F

1998-01-01

We are three dimensional egocentric beings existing within a specific space/time continuum and dimensionality which we assume wrongly is the same for all times and places throughout the entire universe. Physicists name Omnipoint the origin of the universe at Dimension zero, which exploded as a Big Bang of energy proceeding at enormous speed along one dimension which eventually curled up into matter: particles, atoms, molecules and Galaxies which exist in two dimensional space. Finally from matter spread throughout the cosmos evolved life generating eventually the DNA molecules which control the construction of brains complex enough to construct our three dimensional Body Representation from which is extrapolated what we perceive as a 3-D universe. The whole interconnected structures which conjure up our three dimensionality are as fragile as Humpty Dumpty, capable of breaking apart with terrifying effects for the individual patient during a psychotic panic, revealing our three dimensionality to be but "maya", an illusion, which we psychiatrists work at putting back together.

Models of electroosmotic flow in micro- and nanochannels

NASA Astrophysics Data System (ADS)

Zheng, Z.; Conlisk, A. T.; Sadr, R.; Yoda, M.

2003-11-01

Understanding electrooosmotic flow (EOF) is essential for developing efficient drug delivery and rapid biomolecular analysis devices given the extremely high pressure gradients required to drive flows through channels smaller than about 10 μ m. We consider fully-developed and steady EOF in one- and two-dimensional micro- and nanochannel geometries. The fluid, which is assumed to behave as a continuum, is a mixture of a neutral solvent such as water and a salt where the ionic species are entirely dissociated. The model can be used to analyze EOF where the opposite channel walls are oppositely charged and EOF with arbitrary electric double layer thickness. Unlike most previous models which assume a wall ζ -potential a priori, the model calculates the boundary conditions for the (wall) mole fractions using the equilibrium electrochemical potential in the upstream reservoir. We can therefore predict the wall ζ -potential, and calculate EOF with spatially and temporally varying wall ζ -potentials. The model results for electroosmotic mobility and volumetric flow rate are compared with those from three independent experimental datasets, and found to be in good agreement with all three sets of experimental data for channel sizes ranging from O(10 nm) to O(10 μ m). The limits of the continuum theory for EOF are discussed.

Muscle-driven finite element simulation of human foot movements.

PubMed

Spyrou, L A; Aravas, N

2012-01-01

This paper describes a finite element scheme for realistic muscle-driven simulation of human foot movements. The scheme is used to simulate human ankle plantar flexion. A three-dimensional anatomically detailed finite element model of human foot and lower leg is developed and the idea of generating natural foot movement based entirely on the contraction of the plantar flexor muscles is used. The bones, ligaments, articular cartilage, muscles, tendons, as well as the rest soft tissues of human foot and lower leg are included in the model. A realistic three-dimensional continuum constitutive model that describes the biomechanical behaviour of muscles and tendons is used. Both the active and passive properties of muscle tissue are accounted for. The materials for bones and ligaments are considered as homogeneous, isotropic and linearly elastic, whereas the articular cartilage and the rest soft tissues (mainly fat) are defined as hyperelastic materials. The model is used to estimate muscle tissue deformations as well as stresses and strains that develop in the lower leg muscles during plantar flexion of the ankle. Stresses and strains that develop in Achilles tendon during such a movement are also investigated.

Three-dimensional modeling of flow through fractured tuff at Fran Ridge

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

Eaton, R.R.; Ho, C.K.; Glass, RJ.

1996-09-01

Numerical studies have been made of an infiltration experiment at Fran Ridge using the TOUGH2 code to aid in the selection of computational models for performance assessment. The exercise investigates the capabilities of TOUGH2 to model transient flows through highly fractured tuff and provides a possible means of calibration. Two distinctly different conceptual models were used in the TOUGH2 code, the dual permeability model and the equivalent continuum model. The infiltration test modeled involved the infiltration of dyed ponded water for 36 minutes. The 205 gallon infiltration of water observed in the experiment was subsequently modeled using measured Fran Ridgemore » fracture frequencies, and a specified fracture aperture of 285 {micro}m. The dual permeability formulation predicted considerable infiltration along the fracture network, which was in agreement with the experimental observations. As expected, al fracture penetration of the infiltrating water was calculated using the equivalent continuum model, thus demonstrating that this model is not appropriate for modeling the highly transient experiment. It is therefore recommended that the dual permeability model be given priority when computing high-flux infiltration for use in performance assessment studies.« less

Three-dimensional modeling of flow through fractured tuff at Fran Ridge

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

Eaton, R.R.; Ho, C.K.; Glass, R.J.

1996-01-01

Numerical studies have been made of an infiltration experiment at Fran Ridge using the TOUGH2 code to aid in the selection of computational models for performance assessment. The exercise investigates the capabilities of TOUGH2 to model transient flows through highly fractured tuff and provides a possible means of calibration. Two distinctly different conceptual models were used in the TOUGH2 code, the dual permeability model and the equivalent continuum model. The infiltration test modeled involved the infiltration of dyed ponded water for 36 minutes. The 205 gallon filtration of water observed in the experiment was subsequently modeled using measured Fran Ridgemore » fracture frequencies, and a specified fracture aperture of 285 {mu}m. The dual permeability formulation predicted considerable infiltration along the fracture network, which was in agreement with the experimental observations. As expected, minimal fracture penetration of the infiltrating water was calculated using the equivalent continuum model, thus demonstrating that this model is not appropriate for modeling the highly transient experiment. It is therefore recommended that the dual permeability model be given priority when computing high-flux infiltration for use in performance assessment studies.« less

Comparison of continuum and particle simulations of expanding rarefied flows

NASA Technical Reports Server (NTRS)

Lumpkin, Forrest E., III; Boyd, Iain D.; Venkatapathy, Ethiraj

1993-01-01

Comparisons of Navier-Stokes solutions and particle simulations for a simple two-dimensional model problem at a succession of altitudes are performed in order to assess the importance of rarefaction effects on the base flow region. In addition, an attempt is made to include 'Burnett-type' extensions to the Navier-Stokes constitutive relations. The model geometry consists of a simple blunted wedge with a 0.425 meter nose radius, a 70 deg cone half angle, a 1.7 meter base length, and a rounded shoulder. The working gas is monatomic with a molecular weight and viscosity similar to air and was chosen to focus the study on the continuum and particle methodologies rather than the implementation of thermo-chemical modeling. Three cases are investigated, all at Mach 29, with densities corresponding to altitudes of 92 km, 99 km, and 105 km. At the lowest altitude, Navier-Stokes solutions agree well with particle simulations. At the higher altitudes, the Navier-Stokes equations become less accurate. In particular, the Navier-Stokes equations and particle method predict substantially different flow turning angle in the wake near the after body. Attempts to achieve steady continuum solutions including 'Burnett-type' terms failed. Further research is required to determine whether the boundary conditions, the equations themselves, or other unknown causes led to this failure.

Two-dimensional Fano lineshapes: Excited-state absorption contributions

NASA Astrophysics Data System (ADS)

Finkelstein-Shapiro, Daniel; Pullerits, Tõnu; Hansen, Thorsten

2018-05-01

Fano interferences in nanostructures are influenced by dissipation effects as well as many-body interactions. Two-dimensional coherent spectroscopies have just begun to be applied to these systems where the spectroscopic signatures of a discrete-continuum structure are not known. In this article, we calculate the excited-state absorption contribution for different models of higher lying excited states. We find that the characteristic asymmetry of one-dimensional spectroscopies is recovered from the many-body contributions and that the higher lying excited manifolds have distorted lineshapes that are not anticipated from discrete-level Hamiltonians. We show that the Stimulated Emission cannot have contributions from a flat continuum of states. This work completes the Ground-State Bleach and Stimulated Emission signals that were calculated previously [D. Finkelstein-Shapiro et al., Phys. Rev. B 94, 205137 (2016)]. The model reproduces the observations reported for molecules on surfaces probed by 2DIR.

Two-dimensional Fano lineshapes: Excited-state absorption contributions.

PubMed

Finkelstein-Shapiro, Daniel; Pullerits, Tõnu; Hansen, Thorsten

2018-05-14

Fano interferences in nanostructures are influenced by dissipation effects as well as many-body interactions. Two-dimensional coherent spectroscopies have just begun to be applied to these systems where the spectroscopic signatures of a discrete-continuum structure are not known. In this article, we calculate the excited-state absorption contribution for different models of higher lying excited states. We find that the characteristic asymmetry of one-dimensional spectroscopies is recovered from the many-body contributions and that the higher lying excited manifolds have distorted lineshapes that are not anticipated from discrete-level Hamiltonians. We show that the Stimulated Emission cannot have contributions from a flat continuum of states. This work completes the Ground-State Bleach and Stimulated Emission signals that were calculated previously [D. Finkelstein-Shapiro et al., Phys. Rev. B 94, 205137 (2016)]. The model reproduces the observations reported for molecules on surfaces probed by 2DIR.

Rings and gaps in the disc around Elias 24 revealed by ALMA

NASA Astrophysics Data System (ADS)

Dipierro, G.; Ricci, L.; Pérez, L.; Lodato, G.; Alexander, R. D.; Laibe, G.; Andrews, S.; Carpenter, J. M.; Chandler, C. J.; Greaves, J. A.; Hall, C.; Henning, T.; Kwon, W.; Linz, H.; Mundy, L.; Sargent, A.; Tazzari, M.; Testi, L.; Wilner, D.

2018-04-01

We present Atacama Large Millimeter/sub-millimeter Array (ALMA) Cycle 2 observations of the 1.3-mm dust continuum emission of the protoplanetary disc surrounding the T Tauri star Elias 24 with an angular resolution of ˜0.2 arcsec (˜28 au). The dust continuum emission map reveals a dark ring at a radial distance of 0.47 arcsec (˜65 au) from the central star, surrounded by a bright ring at 0.58 arcsec (˜81 au). In the outer disc, the radial intensity profile shows two inflection points at 0.71 and 0.87 arcsec (˜99 and 121 au, respectively). We perform global three-dimensional smoothed particle hydrodynamic gas/dust simulations of discs hosting a migrating and accreting planet. Combining the dust density maps of small and large grains with three-dimensional radiative transfer calculations, we produce synthetic ALMA observations of a variety of disc models in order to reproduce the gap- and ring-like features observed in Elias 24. We find that the dust emission across the disc is consistent with the presence of an embedded planet with a mass of ˜0.7 MJ at an orbital radius of ˜ 60 au. Our model suggests that the two inflection points in the radial intensity profile are due to the inward radial motion of large dust grains from the outer disc. The surface brightness map of our disc model provides a reasonable match to the gap- and ring-like structures observed in Elias 24, with an average discrepancy of ˜5 per cent of the observed fluxes around the gap region.

Explorations in fuzzy physics and non-commutative geometry

NASA Astrophysics Data System (ADS)

Kurkcuoglu, Seckin

Fuzzy spaces arise as discrete approximations to continuum manifolds. They are usually obtained through quantizing coadjoint orbits of compact Lie groups and they can be described in terms of finite-dimensional matrix algebras, which for large matrix sizes approximate the algebra of functions of the limiting continuum manifold. Their ability to exactly preserve the symmetries of their parent manifolds is especially appealing for physical applications. Quantum Field Theories are built over them as finite-dimensional matrix models preserving almost all the symmetries of their respective continuum models. In this dissertation, we first focus our attention to the study of fuzzy supersymmetric spaces. In this regard, we obtain the fuzzy supersphere S2,2F through quantizing the supersphere, and demonstrate that it has exact supersymmetry. We derive a finite series formula for the *-product of functions over S2,2F and analyze the differential geometric information encoded in this formula. Subsequently, we show that quantum field theories on S2,2F are realized as finite-dimensional supermatrix models, and in particular we obtain the non-linear sigma model over the fuzzy supersphere by constructing the fuzzy supersymmetric extensions of a certain class of projectors. We show that this model too, is realized as a finite-dimensional supermatrix model with exact supersymmetry. Next, we show that fuzzy spaces have a generalized Hopf algebra structure. By focusing on the fuzzy sphere, we establish that there is a *-homomorphism from the group algebra SU(2)* of SU(2) to the fuzzy sphere. Using this and the canonical Hopf algebra structure of SU(2)* we show that both the fuzzy sphere and their direct sum are Hopf algebras. Using these results, we discuss processes in which a fuzzy sphere with angular momenta J splits into fuzzy spheres with angular momenta K and L. Finally, we study the formulation of Chern-Simons (CS) theory on an infinite strip of the non-commutative plane. We develop a finite-dimensional matrix model, whose large size limit approximates the CS theory on the infinite strip, and show that there are edge observables in this model obeying a finite-dimensional Lie algebra, that resembles the Kac-Moody algebra.

Children's Somatization Inventory: Psychometric Properties of the Revised Form (CSI-24)

PubMed Central

Beck, Joy E.; Garber, Judy; Lambert, Warren

2009-01-01

Objective To conduct a multimethod psychometric evaluation to refine the Children's Somatization Inventory (CSI) and to investigate its dimensionality. Method The CSI was administered to 876 pediatric patients with chronic abdominal pain at their initial visit to a pediatric gastroenterology clinic. Tools from three psychometric models identified items that most effectively measured the construct of somatization and examined its dimensionality. Results Eleven statistically weak items were identified and removed, creating a 24-item CSI (CSI-24). The CSI-24 showed good psychometrics according to the three measurement models and correlated.99 with the original CSI. The CSI-24 has one dominant general factor but is not strictly unidimensional. Conclusions The CSI-24 is a reliable and psychometrically sound refinement of the original CSI. Findings are consistent with the view that somatization has a strong general factor that represents a continuum of symptom reporting, as well as minor components that represent specific symptom clusters in youth with chronic abdominal pain. PMID:18782857

Anisotropic fractal media by vector calculus in non-integer dimensional space

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

Tarasov, Vasily E., E-mail: tarasov@theory.sinp.msu.ru

2014-08-15

A review of different approaches to describe anisotropic fractal media is proposed. In this paper, differentiation and integration non-integer dimensional and multi-fractional spaces are considered as tools to describe anisotropic fractal materials and media. We suggest a generalization of vector calculus for non-integer dimensional space by using a product measure method. The product of fractional and non-integer dimensional spaces allows us to take into account the anisotropy of the fractal media in the framework of continuum models. The integration over non-integer-dimensional spaces is considered. In this paper differential operators of first and second orders for fractional space and non-integer dimensionalmore » space are suggested. The differential operators are defined as inverse operations to integration in spaces with non-integer dimensions. Non-integer dimensional space that is product of spaces with different dimensions allows us to give continuum models for anisotropic type of the media. The Poisson's equation for fractal medium, the Euler-Bernoulli fractal beam, and the Timoshenko beam equations for fractal material are considered as examples of application of suggested generalization of vector calculus for anisotropic fractal materials and media.« less

Towards a phase diagram for spin foams

NASA Astrophysics Data System (ADS)

Delcamp, Clement; Dittrich, Bianca

2017-11-01

One of the most pressing issues for loop quantum gravity and spin foams is the construction of the continuum limit. In this paper, we propose a systematic coarse-graining scheme for three-dimensional lattice gauge models including spin foams. This scheme is based on the concept of decorated tensor networks, which have been introduced recently. Here we develop an algorithm applicable to gauge theories with non-Abelian groups, which for the first time allows for the application of tensor network coarse-graining techniques to proper spin foams. The procedure deals efficiently with the large redundancy of degrees of freedom resulting from gauge invariance. The algorithm is applied to 3D spin foams defined on a cubical lattice which, in contrast to a proper triangulation, allows for non-trivial simplicity constraints. This mimics the construction of spin foams for 4D gravity. For lattice gauge models based on a finite group we use the algorithm to obtain phase diagrams, encoding the continuum limit of a wide range of these models. We find phase transitions for various families of models carrying non-trivial simplicity constraints.

Finite Element Methods and Multiphase Continuum Theory for Modeling 3D Air-Water-Sediment Interactions

NASA Astrophysics Data System (ADS)

Kees, C. E.; Miller, C. T.; Dimakopoulos, A.; Farthing, M.

2016-12-01

The last decade has seen an expansion in the development and application of 3D free surface flow models in the context of environmental simulation. These models are based primarily on the combination of effective algorithms, namely level set and volume-of-fluid methods, with high-performance, parallel computing. These models are still computationally expensive and suitable primarily when high-fidelity modeling near structures is required. While most research on algorithms and implementations has been conducted in the context of finite volume methods, recent work has extended a class of level set schemes to finite element methods on unstructured methods. This work considers models of three-phase flow in domains containing air, water, and granular phases. These multi-phase continuum mechanical formulations show great promise for applications such as analysis of coastal and riverine structures. This work will consider formulations proposed in the literature over the last decade as well as new formulations derived using the thermodynamically constrained averaging theory, an approach to deriving and closing macroscale continuum models for multi-phase and multi-component processes. The target applications require the ability to simulate wave breaking and structure over-topping, particularly fully three-dimensional, non-hydrostatic flows that drive these phenomena. A conservative level set scheme suitable for higher-order finite element methods is used to describe the air/water phase interaction. The interaction of these air/water flows with granular materials, such as sand and rubble, must also be modeled. The range of granular media dynamics targeted including flow and wave transmision through the solid media as well as erosion and deposition of granular media and moving bed dynamics. For the granular phase we consider volume- and time-averaged continuum mechanical formulations that are discretized with the finite element method and coupled to the underlying air/water flow via operator splitting (fractional step) schemes. Particular attention will be given to verification and validation of the numerical model and important qualitative features of the numerical methods including phase conservation, wave energy dissipation, and computational efficiency in regimes of interest.

Two-dimensional membrane as elastic shell with proof on the folds revealed by three-dimensional atomic mapping

NASA Astrophysics Data System (ADS)

Zhao, Jiong; Deng, Qingming; Ly, Thuc Hue; Han, Gang Hee; Sandeep, Gorantla; Rümmeli, Mark H.

2015-11-01

The great application potential for two-dimensional (2D) membranes (MoS2, WSe2, graphene and so on) aroused much effort to understand their fundamental mechanical properties. The out-of-plane bending rigidity is the key factor that controls the membrane morphology under external fields. Herein we provide an easy method to reconstruct the 3D structures of the folded edges of these 2D membranes on the atomic scale, using high-resolution (S)TEM images. After quantitative comparison with continuum mechanics shell model, it is verified that the bending behaviour of the studied 2D materials can be well explained by the linear elastic shell model. And the bending rigidities can thus be derived by fitting with our experimental results. Recall almost only theoretical approaches can access the bending properties of these 2D membranes before, now a new experimental method to measure the bending rigidity of such flexible and atomic thick 2D membranes is proposed.

Development of morphogen gradient: The role of dimension and discreteness

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

Teimouri, Hamid; Kolomeisky, Anatoly B.

2014-02-28

The fundamental processes of biological development are governed by multiple signaling molecules that create non-uniform concentration profiles known as morphogen gradients. It is widely believed that the establishment of morphogen gradients is a result of complex processes that involve diffusion and degradation of locally produced signaling molecules. We developed a multi-dimensional discrete-state stochastic approach for investigating the corresponding reaction-diffusion models. It provided a full analytical description for stationary profiles and for important dynamic properties such as local accumulation times, variances, and mean first-passage times. The role of discreteness in developing of morphogen gradients is analyzed by comparing with available continuummore » descriptions. It is found that the continuum models prediction about multiple time scales near the source region in two-dimensional and three-dimensional systems is not supported in our analysis. Using ideas that view the degradation process as an effective potential, the effect of dimensionality on establishment of morphogen gradients is also discussed. In addition, we investigated how these reaction-diffusion processes are modified with changing the size of the source region.« less

DSSPcont: continuous secondary structure assignments for proteins

PubMed Central

Carter, Phil; Andersen, Claus A. F.; Rost, Burkhard

2003-01-01

The DSSP program automatically assigns the secondary structure for each residue from the three-dimensional co-ordinates of a protein structure to one of eight states. However, discrete assignments are incomplete in that they cannot capture the continuum of thermal fluctuations. Therefore, DSSPcont (http://cubic.bioc.columbia.edu/services/DSSPcont) introduces a continuous assignment of secondary structure that replaces ‘static’ by ‘dynamic’ states. Technically, the continuum results from calculating weighted averages over 10 discrete DSSP assignments with different hydrogen bond thresholds. A DSSPcont assignment for a particular residue is a percentage likelihood of eight secondary structure states, derived from a weighted average of the ten DSSP assignments. The continuous assignments have two important features: (i) they reflect the structural variations due to thermal fluctuations as detected by NMR spectroscopy; and (ii) they reproduce the structural variation between many NMR models from one single model. Therefore, functionally important variation can be extracted from a single X-ray structure using the continuous assignment procedure. PMID:12824310

Stochastic Ground Water Flow Simulation with a Fracture Zone Continuum Model

USGS Publications Warehouse

Langevin, C.D.

2003-01-01

A method is presented for incorporating the hydraulic effects of vertical fracture zones into two-dimensional cell-based continuum models of ground water flow and particle tracking. High hydraulic conductivity features are used in the model to represent fracture zones. For fracture zones that are not coincident with model rows or columns, an adjustment is required for the hydraulic conductivity value entered into the model cells to compensate for the longer flowpath through the model grid. A similar adjustment is also required for simulated travel times through model cells. A travel time error of less than 8% can occur for particles moving through fractures with certain orientations. The fracture zone continuum model uses stochastically generated fracture zone networks and Monte Carlo analysis to quantify uncertainties with simulated advective travel times. An approach is also presented for converting an equivalent continuum model into a fracture zone continuum model by establishing the contribution of matrix block transmissivity to the bulk transmissivity of the aquifer. The methods are used for a case study in west-central Florida to quantify advective travel times from a potential wetland rehydration site to a municipal supply wellfield. Uncertainties in advective travel times are assumed to result from the presence of vertical fracture zones, commonly observed on aerial photographs as photolineaments.

An Optimization-based Atomistic-to-Continuum Coupling Method

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

Olson, Derek; Bochev, Pavel B.; Luskin, Mitchell

2014-08-21

In this paper, we present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the latter as a constrained optimization problem with virtual Dirichlet controls on the interfaces between the atomistic and continuum subdomains. The optimization objective is to minimize the error between the atomistic and continuum solutions on the overlap between the two subdomains, while the atomistic and continuum force balance equations provide the constraints. Separation, rather then blending of the atomistic and continuum problems, and their subsequent use as constraints in the optimization problem distinguishes our approach from the existing AtC formulations. Finally,more » we present and analyze the method in the context of a one-dimensional chain of atoms modeled using a linearized two-body potential with next-nearest neighbor interactions.« less

An enhanced version of a bone-remodelling model based on the continuum damage mechanics theory.

PubMed

Mengoni, M; Ponthot, J P

2015-01-01

The purpose of this work was to propose an enhancement of Doblaré and García's internal bone remodelling model based on the continuum damage mechanics (CDM) theory. In their paper, they stated that the evolution of the internal variables of the bone microstructure, and its incidence on the modification of the elastic constitutive parameters, may be formulated following the principles of CDM, although no actual damage was considered. The resorption and apposition criteria (similar to the damage criterion) were expressed in terms of a mechanical stimulus. However, the resorption criterion is lacking a dimensional consistency with the remodelling rate. We propose here an enhancement to this resorption criterion, insuring the dimensional consistency while retaining the physical properties of the original remodelling model. We then analyse the change in the resorption criterion hypersurface in the stress space for a two-dimensional (2D) analysis. We finally apply the new formulation to analyse the structural evolution of a 2D femur. This analysis gives results consistent with the original model but with a faster and more stable convergence rate.

Raman spectroscopic signature of fractionalized excitations in the harmonic-honeycomb iridates β- and γ-Li2IrO3

PubMed Central

Glamazda, A.; Lemmens, P.; Do, S. -H.; Choi, Y. S.; Choi, K. -Y.

2016-01-01

The fractionalization of elementary excitations in quantum spin systems is a central theme in current condensed matter physics. The Kitaev honeycomb spin model provides a prominent example of exotic fractionalized quasiparticles, composed of itinerant Majorana fermions and gapped gauge fluxes. However, identification of the Majorana fermions in a three-dimensional honeycomb lattice remains elusive. Here we report spectroscopic signatures of fractional excitations in the harmonic-honeycomb iridates β- and γ-Li2IrO3. Using polarization-resolved Raman spectroscopy, we find that the dynamical Raman response of β- and γ-Li2IrO3 features a broad scattering continuum with distinct polarization and composition dependence. The temperature dependence of the Raman spectral weight is dominated by the thermal damping of fermionic excitations. These results suggest the emergence of Majorana fermions from spin fractionalization in a three-dimensional Kitaev–Heisenberg system. PMID:27457278

Adagio 4.20 User’s Guide

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

Spencer, Benjamin Whiting; Crane, Nathan K.; Heinstein, Martin W.

2011-03-01

Adagio is a Lagrangian, three-dimensional, implicit code for the analysis of solids and structures. It uses a multi-level iterative solver, which enables it to solve problems with large deformations, nonlinear material behavior, and contact. It also has a versatile library of continuum and structural elements, and an extensive library of material models. Adagio is written for parallel computing environments, and its solvers allow for scalable solutions of very large problems. Adagio uses the SIERRA Framework, which allows for coupling with other SIERRA mechanics codes. This document describes the functionality and input structure for Adagio.

Morphing continuum theory for turbulence: Theory, computation, and visualization.

PubMed

Chen, James

2017-10-01

A high order morphing continuum theory (MCT) is introduced to model highly compressible turbulence. The theory is formulated under the rigorous framework of rational continuum mechanics. A set of linear constitutive equations and balance laws are deduced and presented from the Coleman-Noll procedure and Onsager's reciprocal relations. The governing equations are then arranged in conservation form and solved through the finite volume method with a second-order Lax-Friedrichs scheme for shock preservation. A numerical example of transonic flow over a three-dimensional bump is presented using MCT and the finite volume method. The comparison shows that MCT-based direct numerical simulation (DNS) provides a better prediction than Navier-Stokes (NS)-based DNS with less than 10% of the mesh number when compared with experiments. A MCT-based and frame-indifferent Q criterion is also derived to show the coherent eddy structure of the downstream turbulence in the numerical example. It should be emphasized that unlike the NS-based Q criterion, the MCT-based Q criterion is objective without the limitation of Galilean invariance.

CONTINUUM INTENSITY AND [O i] SPECTRAL LINE PROFILES IN SOLAR 3D PHOTOSPHERIC MODELS: THE EFFECT OF MAGNETIC FIELDS

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

Fabbian, D.; Moreno-Insertis, F., E-mail: damian@iac.es, E-mail: fmi@iac.es

2015-04-01

The importance of magnetic fields in three-dimensional (3D) magnetoconvection models of the Sun’s photosphere is investigated in terms of their influence on the continuum intensity at different viewing inclination angles and on the intensity profile of two [O i] spectral lines. We use the RH numerical radiative transfer code to perform a posteriori spectral synthesis on the same time series of magnetoconvection models used in our publications on the effect of magnetic fields on abundance determination. We obtain a good match of the synthetic disk-center continuum intensity to the absolute continuum values from the Fourier Transform Spectrometer (FTS) observational spectrum; the matchmore » of the center-to-limb variation synthetic data to observations is also good, thanks, in part, to the 3D radiation transfer capabilities of the RH code. The different levels of magnetic flux in the numerical time series do not modify the quality of the match. Concerning the targeted [O i] spectral lines, we find, instead, that magnetic fields lead to nonnegligible changes in the synthetic spectrum, with larger average magnetic flux causing both of the lines to become noticeably weaker. The photospheric oxygen abundance that one would derive if instead using nonmagnetic numerical models would thus be lower by a few to several centidex. The inclusion of magnetic fields is confirmed to be important for improving the current modeling of the Sun, here in particular in terms of spectral line formation and of deriving consistent chemical abundances. These results may shed further light on the still controversial issue regarding the precise value of the solar oxygen abundance.« less

Three-dimensional stress field around a membrane protein: atomistic and coarse-grained simulation analysis of gramicidin A.

PubMed

Yoo, Jejoong; Cui, Qiang

2013-01-08

Using both atomistic and coarse-grained (CG) models, we compute the three-dimensional stress field around a gramicidin A (gA) dimer in lipid bilayers that feature different degrees of negative hydrophobic mismatch. The general trends in the computed stress field are similar at the atomistic and CG levels, supporting the use of the CG model for analyzing the mechanical features of protein/lipid/water interfaces. The calculations reveal that the stress field near the protein-lipid interface exhibits a layered structure with both significant repulsive and attractive regions, with the magnitude of the stress reaching 1000 bar in certain regions. Analysis of density profiles and stress field distributions helps highlight the Trp residues at the protein/membrane/water interface as mechanical anchors, suggesting that similar analysis is useful for identifying tension sensors in other membrane proteins, especially membrane proteins involved in mechanosensation. This work fosters a connection between microscopic and continuum mechanics models for proteins in complex environments and makes it possible to test the validity of assumptions commonly made in continuum mechanics models for membrane mediated processes. For example, using the calculated stress field, we estimate the free energy of membrane deformation induced by the hydrophobic mismatch, and the results for regions beyond the annular lipids are in general consistent with relevant experimental data and previous theoretical estimates using elasticity theory. On the other hand, the assumptions of homogeneous material properties for the membrane and a bilayer thickness at the protein/lipid interface being independent of lipid type (e.g., tail length) appear to be oversimplified, highlighting the importance of annular lipids of membrane proteins. Finally, the stress field analysis makes it clear that the effect of even rather severe hydrophobic mismatch propagates to only about two to three lipid layers, thus putting a limit on the range of cooperativity between membrane proteins in crowded cellular membranes. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Effects of the local structure dependence of evaporation fields on field evaporation behavior

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

Yao, Lan; Marquis, Emmanuelle A., E-mail: emarq@umich.edu; Withrow, Travis

2015-12-14

Accurate three dimensional reconstructions of atomic positions and full quantification of the information contained in atom probe microscopy data rely on understanding the physical processes taking place during field evaporation of atoms from needle-shaped specimens. However, the modeling framework for atom probe microscopy has only limited quantitative justification. Building on the continuum field models previously developed, we introduce a more physical approach with the selection of evaporation events based on density functional theory calculations. This model reproduces key features observed experimentally in terms of sequence of evaporation, evaporation maps, and depth resolution, and provides insights into the physical limit formore » spatial resolution.« less

A CONTINUUM HARD-SPHERE MODEL OF PROTEIN ADSORPTION

PubMed Central

Finch, Craig; Clarke, Thomas; Hickman, James J.

2012-01-01

Protein adsorption plays a significant role in biological phenomena such as cell-surface interactions and the coagulation of blood. Two-dimensional random sequential adsorption (RSA) models are widely used to model the adsorption of proteins on solid surfaces. Continuum equations have been developed so that the results of RSA simulations can be used to predict the kinetics of adsorption. Recently, Brownian dynamics simulations have become popular for modeling protein adsorption. In this work a continuum model was developed to allow the results from a Brownian dynamics simulation to be used as the boundary condition in a computational fluid dynamics (CFD) simulation. Brownian dynamics simulations were used to model the diffusive transport of hard-sphere particles in a liquid and the adsorption of the particles onto a solid surface. The configuration of the adsorbed particles was analyzed to quantify the chemical potential near the surface, which was found to be a function of the distance from the surface and the fractional surface coverage. The near-surface chemical potential was used to derive a continuum model of adsorption that incorporates the results from the Brownian dynamics simulations. The equations of the continuum model were discretized and coupled to a CFD simulation of diffusive transport to the surface. The kinetics of adsorption predicted by the continuum model closely matched the results from the Brownian dynamics simulation. This new model allows the results from mesoscale simulations to be incorporated into micro- or macro-scale CFD transport simulations of protein adsorption in practical devices. PMID:23729843

PuMA: the Porous Microstructure Analysis software

NASA Astrophysics Data System (ADS)

Ferguson, Joseph C.; Panerai, Francesco; Borner, Arnaud; Mansour, Nagi N.

2018-01-01

The Porous Microstructure Analysis (PuMA) software has been developed in order to compute effective material properties and perform material response simulations on digitized microstructures of porous media. PuMA is able to import digital three-dimensional images obtained from X-ray microtomography or to generate artificial microstructures. PuMA also provides a module for interactive 3D visualizations. Version 2.1 includes modules to compute porosity, volume fractions, and surface area. Two finite difference Laplace solvers have been implemented to compute the continuum tortuosity factor, effective thermal conductivity, and effective electrical conductivity. A random method has been developed to compute tortuosity factors from the continuum to rarefied regimes. Representative elementary volume analysis can be performed on each property. The software also includes a time-dependent, particle-based model for the oxidation of fibrous materials. PuMA was developed for Linux operating systems and is available as a NASA software under a US & Foreign release.

Classification of proteins: available structural space for molecular modeling.

PubMed

Andreeva, Antonina

2012-01-01

The wealth of available protein structural data provides unprecedented opportunity to study and better understand the underlying principles of protein folding and protein structure evolution. A key to achieving this lies in the ability to analyse these data and to organize them in a coherent classification scheme. Over the past years several protein classifications have been developed that aim to group proteins based on their structural relationships. Some of these classification schemes explore the concept of structural neighbourhood (structural continuum), whereas other utilize the notion of protein evolution and thus provide a discrete rather than continuum view of protein structure space. This chapter presents a strategy for classification of proteins with known three-dimensional structure. Steps in the classification process along with basic definitions are introduced. Examples illustrating some fundamental concepts of protein folding and evolution with a special focus on the exceptions to them are presented.

A model for one-dimensional morphoelasticity and its application to fibroblast-populated collagen lattices.

PubMed

Menon, Shakti N; Hall, Cameron L; McCue, Scott W; McElwain, D L Sean

2017-10-01

The mechanical behaviour of solid biological tissues has long been described using models based on classical continuum mechanics. However, the classical continuum theories of elasticity and viscoelasticity cannot easily capture the continual remodelling and associated structural changes in biological tissues. Furthermore, models drawn from plasticity theory are difficult to apply and interpret in this context, where there is no equivalent of a yield stress or flow rule. In this work, we describe a novel one-dimensional mathematical model of tissue remodelling based on the multiplicative decomposition of the deformation gradient. We express the mechanical effects of remodelling as an evolution equation for the effective strain, a measure of the difference between the current state and a hypothetical mechanically relaxed state of the tissue. This morphoelastic model combines the simplicity and interpretability of classical viscoelastic models with the versatility of plasticity theory. A novel feature of our model is that while most models describe growth as a continuous quantity, here we begin with discrete cells and develop a continuum representation of lattice remodelling based on an appropriate limit of the behaviour of discrete cells. To demonstrate the utility of our approach, we use this framework to capture qualitative aspects of the continual remodelling observed in fibroblast-populated collagen lattices, in particular its contraction and its subsequent sudden re-expansion when remodelling is interrupted.

Airborne and satellite remote sensing of the mid-infrared water vapour continuum.

PubMed

Newman, Stuart M; Green, Paul D; Ptashnik, Igor V; Gardiner, Tom D; Coleman, Marc D; McPheat, Robert A; Smith, Kevin M

2012-06-13

Remote sensing of the atmosphere from space plays an increasingly important role in weather forecasting. Exploiting observations from the latest generation of weather satellites relies on an accurate knowledge of fundamental spectroscopy, including the water vapour continuum absorption. Field campaigns involving the Facility for Airborne Atmospheric Measurements research aircraft have collected a comprehensive dataset, comprising remotely sensed infrared radiance observations collocated with accurate measurements of the temperature and humidity structure of the atmosphere. These field measurements have been used to validate the strength of the infrared water vapour continuum in comparison with the latest laboratory measurements. The recent substantial changes to self-continuum coefficients in the widely used MT_CKD (Mlawer-Tobin-Clough-Kneizys-Davies) model between 2400 and 3200 cm(-1) are shown to be appropriate and in agreement with field measurements. Results for the foreign continuum in the 1300-2000 cm(-1) band suggest a weak temperature dependence that is not currently included in atmospheric models. A one-dimensional variational retrieval experiment is performed that shows a small positive benefit from using new laboratory-derived continuum coefficients for humidity retrievals.

Deforestation of Peano continua and minimal deformation retracts☆

PubMed Central

Conner, G.; Meilstrup, M.

2012-01-01

Every Peano continuum has a strong deformation retract to a deforested continuum, that is, one with no strongly contractible subsets attached at a single point. In a deforested continuum, each point with a one-dimensional neighborhood is either fixed by every self-homotopy of the space, or has a neighborhood which is a locally finite graph. A minimal deformation retract of a continuum (if it exists) is called its core. Every one-dimensional Peano continuum has a unique core, which can be obtained by deforestation. We give examples of planar Peano continua that contain no core but are deforested. PMID:23471120

Rigorous Model Reduction for a Damped-Forced Nonlinear Beam Model: An Infinite-Dimensional Analysis

NASA Astrophysics Data System (ADS)

Kogelbauer, Florian; Haller, George

2018-06-01

We use invariant manifold results on Banach spaces to conclude the existence of spectral submanifolds (SSMs) in a class of nonlinear, externally forced beam oscillations. SSMs are the smoothest nonlinear extensions of spectral subspaces of the linearized beam equation. Reduction in the governing PDE to SSMs provides an explicit low-dimensional model which captures the correct asymptotics of the full, infinite-dimensional dynamics. Our approach is general enough to admit extensions to other types of continuum vibrations. The model-reduction procedure we employ also gives guidelines for a mathematically self-consistent modeling of damping in PDEs describing structural vibrations.

A dimensional comparison between delusional disorder, schizophrenia and schizoaffective disorder.

PubMed

Muñoz-Negro, José E; Ibanez-Casas, Inmaculada; de Portugal, Enrique; Ochoa, Susana; Dolz, Montserrat; Haro, Josep M; Ruiz-Veguilla, Miguel; de Dios Luna Del Castillo, Juan; Cervilla, Jorge A

2015-12-01

Since the early description of paranoia, the nosology of delusional disorder has always been controversial. The old idea of unitary psychosis has now gained some renewed value from the dimensional continuum model of psychotic symptoms. 1. To study the psychopathological dimensions of the psychosis spectrum; 2. to explore the association between psychotic dimensions and categorical diagnoses; 3. to compare the different psychotic disorders from a psychopathological and functional point of view. This is an observational study utilizing a sample of some 550 patients with a psychotic disorder. 373 participants had a diagnosis of schizophrenia, 137 had delusional disorder and 40 with a diagnosis of schizoaffective disorder. The PANSS was used to elicit psychopathology and global functioning was ascertained using the GAF measure. Both exploratory and confirmatory factor analyses of the PANSS items were performed to extract psychopathological dimensions. Associations between diagnostic categories and dimensions were subsequently studied using ANOVA tests. 5 dimensions - manic, negative symptoms, depression, positive symptoms and cognitive - emerged. The model explained 57.27% of the total variance. The dimensional model was useful to explained differences and similarities between all three psychosis spectrum categories. The potential clinical usefulness of this dimensional model within and between clinical psychosis spectrum categories is discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

High-order continuum kinetic method for modeling plasma dynamics in phase space

DOE PAGES

Vogman, G. V.; Colella, P.; Shumlak, U.

2014-12-15

Continuum methods offer a high-fidelity means of simulating plasma kinetics. While computationally intensive, these methods are advantageous because they can be cast in conservation-law form, are not susceptible to noise, and can be implemented using high-order numerical methods. Advances in continuum method capabilities for modeling kinetic phenomena in plasmas require the development of validation tools in higher dimensional phase space and an ability to handle non-cartesian geometries. To that end, a new benchmark for validating Vlasov-Poisson simulations in 3D (x,v x,v y) is presented. The benchmark is based on the Dory-Guest-Harris instability and is successfully used to validate a continuummore » finite volume algorithm. To address challenges associated with non-cartesian geometries, unique features of cylindrical phase space coordinates are described. Preliminary results of continuum kinetic simulations in 4D (r,z,v r,v z) phase space are presented.« less

Neck muscle load distribution in lateral, frontal, and rear-end impacts: a three-dimensional finite element analysis.

PubMed

Hedenstierna, Sofia; Halldin, Peter; Siegmund, Gunter P

2009-11-15

A finite element (FE) model of the human neck was used to study the distribution of neck muscle loads during multidirectional impacts. The computed load distributions were compared to experimental electromyography (EMG) recordings. To quantify passive muscle loads in nonactive cervical muscles during impacts of varying direction and energy, using a three-dimensional (3D) continuum FE muscle model. Experimental and numerical studies have confirmed the importance of muscles in the impact response of the neck. Although EMG has been used to measure the relative activity levels in neck muscles during impact tests, this technique has not been able to measure all neck muscles and cannot directly quantify the force distribution between the muscles. A numerical model can give additional insight into muscle loading during impact. An FE model with solid element musculature was used to simulate frontal, lateral, and rear-end vehicle impacts at 4 peak accelerations. The peak cross-sectional forces, internal energies, and effective strains were calculated for each muscle and impact configuration. The computed load distribution was compared with experimental EMG data. The load distribution in the cervical muscles varied with load direction. Peak sectional forces, internal energies, and strains increased in most muscles with increasing impact acceleration. The dominant muscles identified by the model for each direction were splenius capitis, levator scapulae, and sternocleidomastoid in lateral impacts, splenius capitis, and trapezoid in frontal impacts, and sternocleidomastoid, rectus capitis posterior minor, and hyoids in rear-end impacts. This corresponded with the most active muscles identified by EMG recordings, although within these muscles the distribution of forces and EMG levels were not the same. The passive muscle forces, strains, and energies computed using a continuum FE model of the cervical musculature distinguished between impact directions and peak accelerations, and on the basis of prior studies, isolated the most important muscles for each direction.

The wetland continuum: a conceptual framework for interpreting biological studies

USGS Publications Warehouse

Euliss, N.H.; LaBaugh, J.W.; Fredrickson, L.H.; Mushet, D.M.; Swanson, G.A.; Winter, T.C.; Rosenberry, D.O.; Nelson, R.D.

2004-01-01

We describe a conceptual model, the wetland continuum, which allows wetland managers, scientists, and ecologists to consider simultaneously the influence of climate and hydrologic setting on wetland biological communities. Although multidimensional, the wetland continuum is most easily represented as a two-dimensional gradient, with ground water and atmospheric water constituting the horizontal and vertical axis, respectively. By locating the position of a wetland on both axes of the continuum, the potential biological expression of the wetland can be predicted at any point in time. The model provides a framework useful in the organization and interpretation of biological data from wetlands by incorporating the dynamic changes these systems undergo as a result of normal climatic variation rather than placing them into static categories common to many wetland classification systems. While we developed this model from the literature available for depressional wetlands in the prairie pothole region of North America, we believe the concept has application to wetlands in many other geographic locations.

Computing Incompressible Flows With Free Surfaces

NASA Technical Reports Server (NTRS)

Kothe, D.

1994-01-01

RIPPLE computer program models transient, two-dimensional flows of incompressible fluids with surface tension on free surfaces of general shape. Surface tension modeled as volume force derived from continuum-surface-force model, giving RIPPLE both robustness and accuracy in modeling surface-tension effects at free surface. Also models wall adhesion effects. Written in FORTRAN 77.

Convoluted Quasi Sturmian basis for the two-electron continuum

NASA Astrophysics Data System (ADS)

Ancarani, Lorenzo Ugo; Zaytsev, A. S.; Zaytsev, S. A.

2016-09-01

In the construction of solutions for the Coulomb three-body scattering problem one encounters a series of mathematical and numerical difficulties, one of which are the cumbersome boundary conditions the wave function should obey. We propose to describe a Coulomb three-body system continuum with a set of two-particle functions, named Convoluted Quasi Sturmian (CQS) in. They are built using recently introduced Quasi Sturmian (QS) functions which have the merit of possessing a closed form. Unlike a simple product of two one-particle functions, by construction, the CQS functions look asymptotically like a six-dimensional outgoing spherical wave. The proposed CQS basis is tested through the study of the double ionization of helium by high-energy electron impact in the framework of the Temkin-Poet model. An adequate logarithmic-like phase factor is further included in order to take into account the Coulomb interelectronic interaction and formally build the correct asymptotic behavior when all interparticle distances are large. With such a phase-factor (that can be easily extended to take into account higher partial waves) rapid convergence of the expansion can be obtained.

Development and application of computational aerothermodynamics flowfield computer codes

NASA Technical Reports Server (NTRS)

Venkatapathy, Ethiraj

1993-01-01

Computations are presented for one-dimensional, strong shock waves that are typical of those that form in front of a reentering spacecraft. The fluid mechanics and thermochemistry are modeled using two different approaches. The first employs traditional continuum techniques in solving the Navier-Stokes equations. The second-approach employs a particle simulation technique (the direct simulation Monte Carlo method, DSMC). The thermochemical models employed in these two techniques are quite different. The present investigation presents an evaluation of thermochemical models for nitrogen under hypersonic flow conditions. Four separate cases are considered. The cases are governed, respectively, by the following: vibrational relaxation; weak dissociation; strong dissociation; and weak ionization. In near-continuum, hypersonic flow, the nonequilibrium thermochemical models employed in continuum and particle simulations produce nearly identical solutions. Further, the two approaches are evaluated successfully against available experimental data for weakly and strongly dissociating flows.

Fundamental Scaling of Microplasmas and Tunable UV Light Generation.

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

Manginell, Ronald P.; Sillerud, Colin Halliday; Hopkins, Matthew M.

2016-11-01

The temporal evolution of spectral lines from microplasma devices (MD) was studied, including impurity transitions. Long-wavelength emission diminishes more rapidly than deep UV with decreasing pulse width and RF operation. Thus, switching from DC to short pulsed or RF operation, UV emissions can be suppressed, allowing for real-time tuning of the ionization energy of a microplasma photo-ionization source, which is useful for chemical and atomic physics. Scaling allows MD to operate near atmospheric pressure where excimer states are efficiently created and emit down to 65 nm; laser emissions fall off below 200 nm, making MD light sources attractive for deepmore » UV use. A first fully-kinetic three-dimensional model was developed that explicitly calculates electron-energy distribution function. This, and non-continuum effects, were studied with the model and how they are impacted by geometry and transient or DC operation. Finally, a global non-dimensional model was developed to help explain general trends MD physics.« less

Microstructure-based hyperelastic models for closed-cell solids

PubMed Central

Wyatt, Hayley

2017-01-01

For cellular bodies involving large elastic deformations, mesoscopic continuum models that take into account the interplay between the geometry and the microstructural responses of the constituents are developed, analysed and compared with finite-element simulations of cellular structures with different architecture. For these models, constitutive restrictions for the physical plausibility of the material responses are established, and global descriptors such as nonlinear elastic and shear moduli and Poisson’s ratio are obtained from the material characteristics of the constituents. Numerical results show that these models capture well the mechanical responses of finite-element simulations for three-dimensional periodic structures of neo-Hookean material with closed cells under large tension. In particular, the mesoscopic models predict the macroscopic stiffening of the structure when the stiffness of the cell-core increases. PMID:28484340

Microstructure-based hyperelastic models for closed-cell solids.

PubMed

Mihai, L Angela; Wyatt, Hayley; Goriely, Alain

2017-04-01

For cellular bodies involving large elastic deformations, mesoscopic continuum models that take into account the interplay between the geometry and the microstructural responses of the constituents are developed, analysed and compared with finite-element simulations of cellular structures with different architecture. For these models, constitutive restrictions for the physical plausibility of the material responses are established, and global descriptors such as nonlinear elastic and shear moduli and Poisson's ratio are obtained from the material characteristics of the constituents. Numerical results show that these models capture well the mechanical responses of finite-element simulations for three-dimensional periodic structures of neo-Hookean material with closed cells under large tension. In particular, the mesoscopic models predict the macroscopic stiffening of the structure when the stiffness of the cell-core increases.

Microstructure-based hyperelastic models for closed-cell solids

NASA Astrophysics Data System (ADS)

Mihai, L. Angela; Wyatt, Hayley; Goriely, Alain

2017-04-01

For cellular bodies involving large elastic deformations, mesoscopic continuum models that take into account the interplay between the geometry and the microstructural responses of the constituents are developed, analysed and compared with finite-element simulations of cellular structures with different architecture. For these models, constitutive restrictions for the physical plausibility of the material responses are established, and global descriptors such as nonlinear elastic and shear moduli and Poisson's ratio are obtained from the material characteristics of the constituents. Numerical results show that these models capture well the mechanical responses of finite-element simulations for three-dimensional periodic structures of neo-Hookean material with closed cells under large tension. In particular, the mesoscopic models predict the macroscopic stiffening of the structure when the stiffness of the cell-core increases.

Studies of nonlinear femtosecond pulse propagation in bulk materials

NASA Astrophysics Data System (ADS)

Eaton, Hilary Kaye

2000-10-01

Femtosecond pulse lasers are finding widespread application in a variety of fields including medical research, optical switching and communications, plasma formation, high harmonic generation, and wavepacket formation and control. As the number of applications for femtosecond pulses increases, so does the need to fully understand the linear and nonlinear processes involved in propagating these pulses through materials under various conditions. Recent advances in pulse measurement techniques, such as frequency-resolved optical gating (FROG), allow measurement of the full electric field of the pulse and have made detailed investigations of short- pulse propagation effects feasible. In this thesis, I present detailed experimental studies of my work involving nonlinear propagation of femtosecond pulses in bulk media. Studies of plane-wave propagation in fused silica extend the SHG form of FROG from a simple pulse diagnostic to a useful method of interrogating the nonlinear response of a material. Studies of nonlinear propagation are also performed in a regime where temporal pulse splitting occurs. Experimental results are compared with a three- dimensional nonlinear Schrödinger equation. This comparison fuels the development of a more complete model for pulse splitting. Experiments are also performed at peak input powers above those at which pulse splitting is observed. At these higher intensities, a broadband continuum is generated. This work presents a detailed study of continuum behavior and power loss as well as the first near-field spatial- spectral measurements of the generated continuum light. Nonlinear plane-wave propagation of short pulses in liquids is also investigated, and a non-instantaneous nonlinearity with a surprisingly short response time of 10 fs is observed in methanol. Experiments in water confirm that this effect in methanol is indeed real. Possible explanations for the observed effect are discussed and several are experimentally rejected. This thesis applies FROG as a powerful tool for science and not just a useful pulse diagnostic technique. Studies of three-dimensional propagation provide an in-depth understanding of the processes involved in femtosecond pulse splitting. In addition, the experimental investigations of continuum generation and pulse propagation in liquids provide new insights into the possible processes involved and should provide a useful comparison for developing theories.

Two-point functions in a holographic Kondo model

NASA Astrophysics Data System (ADS)

Erdmenger, Johanna; Hoyos, Carlos; O'Bannon, Andy; Papadimitriou, Ioannis; Probst, Jonas; Wu, Jackson M. S.

2017-03-01

We develop the formalism of holographic renormalization to compute two-point functions in a holographic Kondo model. The model describes a (0 + 1)-dimensional impurity spin of a gauged SU( N ) interacting with a (1 + 1)-dimensional, large- N , strongly-coupled Conformal Field Theory (CFT). We describe the impurity using Abrikosov pseudo-fermions, and define an SU( N )-invariant scalar operator O built from a pseudo-fermion and a CFT fermion. At large N the Kondo interaction is of the form O^{\\dagger}O, which is marginally relevant, and generates a Renormalization Group (RG) flow at the impurity. A second-order mean-field phase transition occurs in which O condenses below a critical temperature, leading to the Kondo effect, including screening of the impurity. Via holography, the phase transition is dual to holographic superconductivity in (1 + 1)-dimensional Anti-de Sitter space. At all temperatures, spectral functions of O exhibit a Fano resonance, characteristic of a continuum of states interacting with an isolated resonance. In contrast to Fano resonances observed for example in quantum dots, our continuum and resonance arise from a (0 + 1)-dimensional UV fixed point and RG flow, respectively. In the low-temperature phase, the resonance comes from a pole in the Green's function of the form - i< O >2, which is characteristic of a Kondo resonance.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: Application to solvatochromic shift calculations

NASA Astrophysics Data System (ADS)

Minezawa, Noriyuki; Kato, Shigeki

2007-02-01

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.

PubMed

Minezawa, Noriyuki; Kato, Shigeki

2007-02-07

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Beyond the continuum: a multi-dimensional phase space for neutral-niche community assembly.

PubMed

Latombe, Guillaume; Hui, Cang; McGeoch, Melodie A

2015-12-22

Neutral and niche processes are generally considered to interact in natural communities along a continuum, exhibiting community patterns bounded by pure neutral and pure niche processes. The continuum concept uses niche separation, an attribute of the community, to test the hypothesis that communities are bounded by pure niche or pure neutral conditions. It does not accommodate interactions via feedback between processes and the environment. By contrast, we introduce the Community Assembly Phase Space (CAPS), a multi-dimensional space that uses community processes (such as dispersal and niche selection) to define the limiting neutral and niche conditions and to test the continuum hypothesis. We compare the outputs of modelled communities in a heterogeneous landscape, assembled by pure neutral, pure niche and composite processes. Differences in patterns under different combinations of processes in CAPS reveal hidden complexity in neutral-niche community dynamics. The neutral-niche continuum only holds for strong dispersal limitation and niche separation. For weaker dispersal limitation and niche separation, neutral and niche processes amplify each other via feedback with the environment. This generates patterns that lie well beyond those predicted by a continuum. Inferences drawn from patterns about community assembly processes can therefore be misguided when based on the continuum perspective. CAPS also demonstrates the complementary information value of different patterns for inferring community processes and captures the complexity of community assembly. It provides a general tool for studying the processes structuring communities and can be applied to address a range of questions in community and metacommunity ecology. © 2015 The Author(s).

Beyond the continuum: a multi-dimensional phase space for neutral–niche community assembly

PubMed Central

Latombe, Guillaume; McGeoch, Melodie A.

2015-01-01

Neutral and niche processes are generally considered to interact in natural communities along a continuum, exhibiting community patterns bounded by pure neutral and pure niche processes. The continuum concept uses niche separation, an attribute of the community, to test the hypothesis that communities are bounded by pure niche or pure neutral conditions. It does not accommodate interactions via feedback between processes and the environment. By contrast, we introduce the Community Assembly Phase Space (CAPS), a multi-dimensional space that uses community processes (such as dispersal and niche selection) to define the limiting neutral and niche conditions and to test the continuum hypothesis. We compare the outputs of modelled communities in a heterogeneous landscape, assembled by pure neutral, pure niche and composite processes. Differences in patterns under different combinations of processes in CAPS reveal hidden complexity in neutral–niche community dynamics. The neutral–niche continuum only holds for strong dispersal limitation and niche separation. For weaker dispersal limitation and niche separation, neutral and niche processes amplify each other via feedback with the environment. This generates patterns that lie well beyond those predicted by a continuum. Inferences drawn from patterns about community assembly processes can therefore be misguided when based on the continuum perspective. CAPS also demonstrates the complementary information value of different patterns for inferring community processes and captures the complexity of community assembly. It provides a general tool for studying the processes structuring communities and can be applied to address a range of questions in community and metacommunity ecology. PMID:26702047

A continuum thermo-inelastic model for damage and healing in self-healing glass materials

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

Xu, Wei; Sun, Xin; Koeppel, Brian J.

Self-healing glass, a recent advancement in the class of smart sealing materials, has attracted great attention from both research and industrial communities because of its unique capability of repairing itself at elevated temperatures. However, further development and optimization of this material rely on a more fundamental and thorough understanding of its essential thermo-mechanical response characteristics, which is also pivotal in predicting the coupling and interactions between the nonlinear stress and temperature dependent damage and healing behaviors. In the current study, a continuum three-dimensional thermo-inelastic damage-healing constitutive framework has been developed for the compliant self-healing glass material. The important feature ofmore » the present model is that various phenomena governing the mechanical degradation and recovery process, i.e. the nucleation, growth, and healing of the cracks and pores, are described with distinct mechanism-driven kinetics, where the healing constitutive relations are propagated from lower-length scale simulations. The proposed formulations are implemented into finite element analyses and the effects of various loading conditions and material properties on the material’s mechanical resistance are investigated.« less

MHOST version 4.2. Volume 1: Users' manual

NASA Technical Reports Server (NTRS)

Nakazawa, Shohei

1989-01-01

This manual describes the user options available for running the MHOST finite element analysis package. MHOST is a solid and structural analysis program based on mixed finite element technology, and is specifically designed for three-dimensional inelastic analysis. A family of two- and three-dimensional continuum elements along with beam and shell structural elements can be utilized. Many options are available in the constitutive equation library, the solution algorithms and the analysis capabilities. An overview of the algorithms, a general description of the input data formats, and a discussion of input data for selecting solution algorithms are given.

From cells to tissue: A continuum model of epithelial mechanics

NASA Astrophysics Data System (ADS)

Ishihara, Shuji; Marcq, Philippe; Sugimura, Kaoru

2017-08-01

A two-dimensional continuum model of epithelial tissue mechanics was formulated using cellular-level mechanical ingredients and cell morphogenetic processes, including cellular shape changes and cellular rearrangements. This model incorporates stress and deformation tensors, which can be compared with experimental data. Focusing on the interplay between cell shape changes and cell rearrangements, we elucidated dynamical behavior underlying passive relaxation, active contraction-elongation, and tissue shear flow, including a mechanism for contraction-elongation, whereby tissue flows perpendicularly to the axis of cell elongation. This study provides an integrated scheme for the understanding of the orchestration of morphogenetic processes in individual cells to achieve epithelial tissue morphogenesis.

Preliminary development of the LBL/USGS three-dimensional site-scale model of Yucca Mountain, Nevada

USGS Publications Warehouse

1995-01-01

A three-dimensional model of moisture flow within the unsaturated zone at Yucca Mountain is being developed at Lawrence Berkeley Laboratory (LBL) in cooperation with the U.S. Geological Survey (USGS). This site-scale model covers and area of about 34 km2 and is bounded by major faults to the north, east and west. The model geometry is defined (1) to represent the variations of hydrogeological units between the ground surface and the water table; (2) to be able to reproduce the effect of abrupt changes in hydrogeological parameters at the boundaries between hyrdogeological units; and (3) to include the influence of major faults. A detailed numerical grid has been developed based on the locations of boreholes, different infiltration zones, hydrogeological units and their outcrops, major faults, and water level data. Contour maps and isopatch maps are presented defining different types of infiltration zones, and the spatial distribution of Tiva Canyon, Paintbrush, and Topopah Spring hydrogeological units. The grid geometry consists of seventeen non-uniform layers which represent the lithological variations within the four main welded and non-welded hydrogeological units. Matrix flow is approximated using the van Genuchten model, and the equivalent continuum approximation is used to account for fracture flow in the welded units. The fault zones are explicitly modeled as porous medium using various assumptions regarding their permeabilities and characteristic curves. One-, two-, and three-dimensional simulations are conducted using the TOUGH2 computer program. Steady-state simulations are performed with various uniform and non-uniform infiltration rates. The results are interpreted in terms of the effect of fault characteristics on the moisture flow distribution, and on location and formation of preferential pathways.

Modes of interconnected lattice trusses using continuum models, part 1

NASA Technical Reports Server (NTRS)

Balakrishnan, A. V.

1991-01-01

This represents a continuing systematic attempt to explore the use of continuum models--in contrast to the Finite Element Models currently universally in use--to develop feedback control laws for stability enhancement of structures, particularly large structures, for deployment in space. We shall show that for the control objective, continuum models do offer unique advantages. It must be admitted of course that developing continuum models for arbitrary structures is no easy task. In this paper we take advantage of the special nature of current Large Space Structures--typified by the NASA-LaRC Evolutionary Model which will be our main concern--which consists of interconnected orthogonal lattice trusses each with identical bays. Using an equivalent one-dimensional Timoshenko beam model, we develop an almost complete continuum model for the evolutionary structure. We do this in stages, beginning only with the main bus as flexible and then going on to make all the appendages also flexible-except for the antenna structure. Based on these models we proceed to develop formulas for mode frequencies and shapes. These are shown to be the roots of the determinant of a matrix of small dimension compared with mode calculations using Finite Element Models, even though the matrix involves transcendental functions. The formulas allow us to study asymptotic properties of the modes and how they evolve as we increase the number of bodies which are treated as flexible. The asymptotics, in fact, become simpler.

Three-dimensional characterization of microporosity and permeability in fault zones hosted in heterolithic succession

NASA Astrophysics Data System (ADS)

Riegel, H. B.; Zambrano, M.; Jablonska, D.; Emanuele, T.; Agosta, F.; Mattioni, L.; Rustichelli, A.

2017-12-01

The hydraulic properties of fault zones depend upon the individual contributions of the damage zone and the fault core. In the case of the damage zone, it is generally characterized by means of fracture analysis and modelling implementing multiple approaches, for instance the discrete fracture network model, the continuum model, and the channel network model. Conversely, the fault core is more difficult to characterize because it is normally composed of fine grain material generated by friction and wear. If the dimensions of the fault core allows it, the porosity and permeability are normally studied by means of laboratory analysis or in the other case by two dimensional microporosity analysis and in situ measurements of permeability (e.g. micro-permeameter). In this study, a combined approach consisting of fracture modeling, three-dimensional microporosity analysis, and computational fluid dynamics was applied to characterize the hydraulic properties of fault zones. The studied fault zones crosscut a well-cemented heterolithic succession (sandstone and mudstones) and may vary in terms of fault core thickness and composition, fracture properties, kinematics (normal or strike-slip), and displacement. These characteristics produce various splay and fault core behavior. The alternation of sandstone and mudstone layers is responsible for the concurrent occurrence of brittle (fractures) and ductile (clay smearing) deformation. When these alternating layers are faulted, they produce corresponding fault cores which act as conduits or barriers for fluid migration. When analyzing damage zones, accurate field and data acquisition and stochastic modeling was used to determine the hydraulic properties of the rock volume, in relation to the surrounding, undamaged host rock. In the fault cores, the three-dimensional pore network quantitative analysis based on X-ray microtomography images includes porosity, pore connectivity, and specific surface area. In addition, images were used to perform computational fluid simulation (Lattice-Boltzmann multi relaxation time method) and estimate the permeability. These results will be useful for understanding the deformation process and hydraulic properties across meter-scale damage zones.

Effects of using two- versus three-dimensional computational modeling of fluidized beds Part I, hydrodynamics

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

Xie, Nan; Battaglia, Francine; Pannala, Sreekanth

2008-01-01

Simulations of fluidized beds are performed to study and determine the effect on the use of coordinate systems and geometrical configurations to model fluidized bed reactors. Computational fluid dynamics is employed for an Eulerian-Eulerian model, which represents each phase as an interspersed continuum. The transport equation for granular temperature is solved and a hyperbolic tangent function is used to provide a smooth transition between the plastic and viscous regimes for the solid phase. The aim of the present work is to show the range of validity for employing simulations based on a 2D Cartesian coordinate system to approximate both cylindricalmore » and rectangular fluidized beds. Three different fluidization regimes, bubbling, slugging and turbulent regimes, are investigated and the results of 2D and 3D simulations are presented for both cylindrical and rectangular domains. The results demonstrate that a 2D Cartesian system can be used to successfully simulate and predict a bubbling regime. However, caution must be exercised when using 2D Cartesian coordinates for other fluidized regimes. A budget analysis that explains all the differences in detail is presented in Part II [N. Xie, F. Battaglia, S. Pannala, Effects of Using Two-Versus Three-Dimensional Computational Modeling of Fluidized Beds: Part II, budget analysis, 182 (1) (2007) 14] to complement the hydrodynamic theory of this paper.« less

Modeling the Interactions Between Multiple Crack Closure Mechanisms at Threshold

NASA Technical Reports Server (NTRS)

Newman, John A.; Riddell, William T.; Piascik, Robert S.

2003-01-01

A fatigue crack closure model is developed that includes interactions between the three closure mechanisms most likely to occur at threshold; plasticity, roughness, and oxide. This model, herein referred to as the CROP model (for Closure, Roughness, Oxide, and Plasticity), also includes the effects of out-of plane cracking and multi-axial loading. These features make the CROP closure model uniquely suited for, but not limited to, threshold applications. Rough cracks are idealized here as two-dimensional sawtooths, whose geometry induces mixed-mode crack- tip stresses. Continuum mechanics and crack-tip dislocation concepts are combined to relate crack face displacements to crack-tip loads. Geometric criteria are used to determine closure loads from crack-face displacements. Finite element results, used to verify model predictions, provide critical information about the locations where crack closure occurs.

PACE-90 water and solute transport calculations for 0.01, 0.1, and 0. 5 mm/yr infiltration into Yucca Mountain; Yucca Mountain Site Characterization Project

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

Dykhuizen, R.C.; Eaton, R.R.; Hopkins, P.L.

1991-12-01

Numerical results are presented for the Performance Assessment Calculational Exercise (PACE-90). One- and two-dimensional water and solute transport are presented for steady infiltration into Yucca Mountain. Evenly distributed infiltration rates of 0.01, 0.1, and 0.5 mm/yr were considered. The calculations of solute transport show that significant amounts of radionuclides can reach the water table over 100,000 yr at the 0.5 mm/yr rate. For time periods less than 10,000 yr or infiltrations less than 0.1 mm/yr very little solute reaches the water table. The numerical simulations clearly demonstrate that multi-dimensional effects can result in significant decreases in the travel time ofmore » solute through the modeled domain. Dual continuum effects are shown to be negligible for the low steady state fluxes considered. However, material heterogeneities may cause local amplification of the flux level in multi-dimensional flows. These higher flux levels may then require modeling of a dual continuum porous medium.« less

Quantifying Stream-Aquifer Exchanges Over Scales: the Concept of Nested Interfaces

NASA Astrophysics Data System (ADS)

Flipo, N.; Mouhri, A.; Labarthe, B.; Saleh, F. S.

2013-12-01

Recent developments in hydrological modelling are based on a view of the interface being a single continuum through which water flows. These coupled hydrological-hydrogeological models, emphasizing the importance of the stream-aquifer interface (SAI), are more and more used in hydrological sciences for pluri-disciplinary studies aiming at questioning environmental issues. This notion of a single continuum comes from the historical modelling of hydrosystems based on the hypothesis of a homogeneous media that led to the Darcy law. Nowadays, there is a need to first bridge the gap between hydrological and eco-hydrological views of the SAIs, and, second, to rationalize the modelling of SAI within a consistent framework that fully takes into account the multi-dimensionality of the SAIs. We first define the concept of nested SAIs as a key transitional component of continental hydrosystem. We then demonstrate the usefulness of the concept for the multi-dimensional study of the SAI, with a special emphasis on the stream network which is identified as the key component for scaling hydrological processes occurring at the interface. Finally we focus on SAI modelling at various scales with up-to-date methodologies and give some guidance for the multi-dimensional modelling of the interface using the innovative methodology MIM (Measurements-Interpolation-Modelling), which is graphically developed. MIM scales in space three pools of methods needed to fully understand SAIs. The outcome of MIM is the localization in space of the type of SAI that can be studied by a given approach. The efficiency of the method is illustrated from the local (approx. 1m) to the regional scale (> 10 000 km2) with two examples from the Paris basin (France). The first one consists in the implementation of a sampling system of stream-aquifer exchanges, which is coupled with local 2D thermo-hydro models and a pseudo 3D hydro(geo)logical model at the watershed scale (40 km2). The quantification of monthly stream-aquifer exchanges over 14 000 km of river network in the Paris basin (74 000 km2) corresponds to a unique regional scale example.

Evaluation of out-of-core computer programs for the solution of symmetric banded linear equations. [simultaneous equations

NASA Technical Reports Server (NTRS)

Dunham, R. S.

1976-01-01

FORTRAN coded out-of-core equation solvers that solve using direct methods symmetric banded systems of simultaneous algebraic equations. Banded, frontal and column (skyline) solvers were studied as well as solvers that can partition the working area and thus could fit into any available core. Comparison timings are presented for several typical two dimensional and three dimensional continuum type grids of elements with and without midside nodes. Extensive conclusions are also given.

Polarization properties of bow shock sources close to the Galactic centre

NASA Astrophysics Data System (ADS)

Zajaček, M.; Karas, V.; Hosseini, E.; Eckart, A.; Shahzamanian, B.; Valencia-S., M.; Peissker, F.; Busch, G.; Britzen, S.; Zensus, J. A.

2017-12-01

Several bow shock sources were detected and resolved in the innermost parsec from the supermassive black hole in the Galactic centre. They show several distinct characteristics, including an excess towards mid-infrared wavelengths and a significant linear polarization as well as a characteristic prolonged bow-shock shape. These features give hints about the presence of a non-spherical dusty envelope generated by the bow shock. The Dusty S-cluster Object (also denoted as G2) shows similar characteristics and it is a candidate for the closest bow shock with a detected proper motion in the vicinity of Sgr A*, with the pericentre distance of only approx. 2000 Schwarzschild radii. However, in the continuum emission it is a point-like source and hence we use Monte Carlo radiative transfer modeling to reveal its possible three-dimensional structure. Alongside the spectral energy distribution, the detection of polarized continuum emission in the near-infrared Ks-band (2.2 micrometers) puts additional constraints on the geometry of the source.

Vertically-Integrated Dual-Continuum Models for CO2 Injection in Fractured Aquifers

NASA Astrophysics Data System (ADS)

Tao, Y.; Guo, B.; Bandilla, K.; Celia, M. A.

2017-12-01

Injection of CO2 into a saline aquifer leads to a two-phase flow system, with supercritical CO2 and brine being the two fluid phases. Various modeling approaches, including fully three-dimensional (3D) models and vertical-equilibrium (VE) models, have been used to study the system. Almost all of that work has focused on unfractured formations. 3D models solve the governing equations in three dimensions and are applicable to generic geological formations. VE models assume rapid and complete buoyant segregation of the two fluid phases, resulting in vertical pressure equilibrium and allowing integration of the governing equations in the vertical dimension. This reduction in dimensionality makes VE models computationally more efficient, but the associated assumptions restrict the applicability of VE model to formations with moderate to high permeability. In this presentation, we extend the VE and 3D models for CO2 injection in fractured aquifers. This is done in the context of dual-continuum modeling, where the fractured formation is modeled as an overlap of two continuous domains, one representing the fractures and the other representing the rock matrix. Both domains are treated as porous media continua and can be modeled by either a VE or a 3D formulation. The transfer of fluid mass between rock matrix and fractures is represented by a mass transfer function connecting the two domains. We have developed a computational model that combines the VE and 3D models, where we use the VE model in the fractures, which typically have high permeability, and the 3D model in the less permeable rock matrix. A new mass transfer function is derived, which couples the VE and 3D models. The coupled VE-3D model can simulate CO2 injection and migration in fractured aquifers. Results from this model compare well with a full-3D model in which both the fractures and rock matrix are modeled with 3D models, with the hybrid VE-3D model having significantly reduced computational cost. In addition to the VE-3D model, we explore simplifications of the rock matrix domain by using sugar-cube and matchstick conceptualizations and develop VE-dual porosity and VE-matchstick models. These vertically-integrated dual-permeability and dual-porosity models provide a range of computationally efficient tools to model CO2 storage in fractured saline aquifers.

Functional Parallel Factor Analysis for Functions of One- and Two-dimensional Arguments.

PubMed

Choi, Ji Yeh; Hwang, Heungsun; Timmerman, Marieke E

2018-03-01

Parallel factor analysis (PARAFAC) is a useful multivariate method for decomposing three-way data that consist of three different types of entities simultaneously. This method estimates trilinear components, each of which is a low-dimensional representation of a set of entities, often called a mode, to explain the maximum variance of the data. Functional PARAFAC permits the entities in different modes to be smooth functions or curves, varying over a continuum, rather than a collection of unconnected responses. The existing functional PARAFAC methods handle functions of a one-dimensional argument (e.g., time) only. In this paper, we propose a new extension of functional PARAFAC for handling three-way data whose responses are sequenced along both a two-dimensional domain (e.g., a plane with x- and y-axis coordinates) and a one-dimensional argument. Technically, the proposed method combines PARAFAC with basis function expansion approximations, using a set of piecewise quadratic finite element basis functions for estimating two-dimensional smooth functions and a set of one-dimensional basis functions for estimating one-dimensional smooth functions. In a simulation study, the proposed method appeared to outperform the conventional PARAFAC. We apply the method to EEG data to demonstrate its empirical usefulness.

Well-posed continuum equations for granular flow with compressibility and μ(I)-rheology

NASA Astrophysics Data System (ADS)

Barker, T.; Schaeffer, D. G.; Shearer, M.; Gray, J. M. N. T.

2017-05-01

Continuum modelling of granular flow has been plagued with the issue of ill-posed dynamic equations for a long time. Equations for incompressible, two-dimensional flow based on the Coulomb friction law are ill-posed regardless of the deformation, whereas the rate-dependent μ(I)-rheology is ill-posed when the non-dimensional inertial number I is too high or too low. Here, incorporating ideas from critical-state soil mechanics, we derive conditions for well-posedness of partial differential equations that combine compressibility with I-dependent rheology. When the I-dependence comes from a specific friction coefficient μ(I), our results show that, with compressibility, the equations are well-posed for all deformation rates provided that μ(I) satisfies certain minimal, physically natural, inequalities.

Well-posed continuum equations for granular flow with compressibility and μ(I)-rheology

PubMed Central

Schaeffer, D. G.; Shearer, M.; Gray, J. M. N. T.

2017-01-01

Continuum modelling of granular flow has been plagued with the issue of ill-posed dynamic equations for a long time. Equations for incompressible, two-dimensional flow based on the Coulomb friction law are ill-posed regardless of the deformation, whereas the rate-dependent μ(I)-rheology is ill-posed when the non-dimensional inertial number I is too high or too low. Here, incorporating ideas from critical-state soil mechanics, we derive conditions for well-posedness of partial differential equations that combine compressibility with I-dependent rheology. When the I-dependence comes from a specific friction coefficient μ(I), our results show that, with compressibility, the equations are well-posed for all deformation rates provided that μ(I) satisfies certain minimal, physically natural, inequalities. PMID:28588402

Well-posed continuum equations for granular flow with compressibility and μ(I)-rheology.

PubMed

Barker, T; Schaeffer, D G; Shearer, M; Gray, J M N T

2017-05-01

Continuum modelling of granular flow has been plagued with the issue of ill-posed dynamic equations for a long time. Equations for incompressible, two-dimensional flow based on the Coulomb friction law are ill-posed regardless of the deformation, whereas the rate-dependent μ ( I )-rheology is ill-posed when the non-dimensional inertial number I is too high or too low. Here, incorporating ideas from critical-state soil mechanics, we derive conditions for well-posedness of partial differential equations that combine compressibility with I -dependent rheology. When the I -dependence comes from a specific friction coefficient μ ( I ), our results show that, with compressibility, the equations are well-posed for all deformation rates provided that μ ( I ) satisfies certain minimal, physically natural, inequalities.

Discrete and continuum simulations of near-field ground motion from Source Physics Experiments (SPE) (Invited)

NASA Astrophysics Data System (ADS)

Ezzedine, S. M.; Vorobiev, O.; Herbold, E. B.; Glenn, L. A.; Antoun, T.

2013-12-01

This work is focused on analysis of near-field measurements (up to 100 m from the source) recorded during Source Physics Experiments in a granitic formation. One of the main goals of these experiments is to investigate the possible mechanisms of shear wave generation in the nonlinear source region. SPE experiments revealed significant tangential motion (up to 30 % of the magnitude in the radial direction) at many locations. Furthermore, azimuthal variations in radial velocities were also observed which cannot be generated by a spherical source in isotropic materials. Understanding the nature of this non-radial motion is important for discriminating between the natural seismicity and underground explosions signatures. Possible mechanisms leading to such motion include, but not limited to, heterogeneities in the rock such as joints, faults and geologic layers as well as surface topography and vertical motion at the surface caused by material spall and gravity. We have performed a three dimensional computational studies considering all these effects. Both discrete and continuum methods have been employed to model heterogeneities. In the discrete method, the joints and faults were represented by cohesive contact elements. This enables us to examine various friction laws at the joints which include softening, dilatancy, water saturation and rate-dependent friction. Yet this approach requires the mesh to be aligned with joints, which may present technical difficulties in three dimensions when multiple non-persistent joints are present. In addition, the discrete method is more computationally expensive. The continuum approach assumes that the joints are stiff and the dilatancy and shear softening can be neglected. In this approach, the joints are modeled as weakness planes within the material, which are imbedded into and pass through many finite elements. The advantage of this approach is that it requires neither sophisticated meshing algorithms nor contact detection algorithm. It is also suitable for evaluating the bounds of possible shear motion due to uncertainties in the joints distribution. Details of this uncertainty quantification study are presented in a separate abstract (Vorobiev, et.al). In the present work using both the continuum and the discrete approaches we study the effects of the surface spall, in-situ stress and joint orientation on the observed near-field motion. Three dimensional numerical simulations are performed for different burial depths and yields to investigate scalability of both radial and shear motions. The motion calculated in the near-field is then propagated into a far field. Results of the far field study are presented in an accompanied work (Pitarka, et al). This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Letter: Modeling reactive shock waves in heterogeneous solids at the continuum level with stochastic differential equations

NASA Astrophysics Data System (ADS)

Kittell, D. E.; Yarrington, C. D.; Lechman, J. B.; Baer, M. R.

2018-05-01

A new paradigm is introduced for modeling reactive shock waves in heterogeneous solids at the continuum level. Inspired by the probability density function methods from turbulent reactive flows, it is hypothesized that the unreacted material microstructures lead to a distribution of heat release rates from chemical reaction. Fluctuations in heat release, rather than velocity, are coupled to the reactive Euler equations which are then solved via the Riemann problem. A numerically efficient, one-dimensional hydrocode is used to demonstrate this new approach, and simulation results of a representative impact calculation (inert flyer into explosive target) are discussed.

Cause-effect relationship between vocal fold physiology and voice production in a three-dimensional phonation model

PubMed Central

Zhang, Zhaoyan

2016-01-01

The goal of this study is to better understand the cause-effect relation between vocal fold physiology and the resulting vibration pattern and voice acoustics. Using a three-dimensional continuum model of phonation, the effects of changes in vocal fold stiffness, medial surface thickness in the vertical direction, resting glottal opening, and subglottal pressure on vocal fold vibration and different acoustic measures are investigated. The results show that the medial surface thickness has dominant effects on the vertical phase difference between the upper and lower margins of the medial surface, closed quotient, H1-H2, and higher-order harmonics excitation. The main effects of vocal fold approximation or decreasing resting glottal opening are to lower the phonation threshold pressure, reduce noise production, and increase the fundamental frequency. Increasing subglottal pressure is primarily responsible for vocal intensity increase but also leads to significant increase in noise production and an increased fundamental frequency. Increasing AP stiffness significantly increases the fundamental frequency and slightly reduces noise production. The interaction among vocal fold thickness, stiffness, approximation, and subglottal pressure in the control of F0, vocal intensity, and voice quality is discussed. PMID:27106298

Hybrid plasma modeling.

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

Hopkins, Matthew Morgan; DeChant, Lawrence Justin.; Piekos, Edward Stanley

2009-02-01

This report summarizes the work completed during FY2007 and FY2008 for the LDRD project ''Hybrid Plasma Modeling''. The goal of this project was to develop hybrid methods to model plasmas across the non-continuum-to-continuum collisionality spectrum. The primary methodology to span these regimes was to couple a kinetic method (e.g., Particle-In-Cell) in the non-continuum regions to a continuum PDE-based method (e.g., finite differences) in continuum regions. The interface between the two would be adjusted dynamically ased on statistical sampling of the kinetic results. Although originally a three-year project, it became clear during the second year (FY2008) that there were not sufficientmore » resources to complete the project and it was terminated mid-year.« less

Dynamics and stability of a tethered centrifuge in low earth orbit

NASA Technical Reports Server (NTRS)

Quadrelli, B. M.; Lorenzini, E. C.

1992-01-01

The three-dimensional attitude dynamics of a spaceborne tethered centrifuge for artificial gravity experiments in low earth orbit is analyzed using two different methods. First, the tethered centrifuge is modeled as a dumbbell with a straight viscoelastic tether, point tip-masses, and sophisticated environmental models such as nonspherical gravity, thermal perturbations, and a dynamic atmospheric model. The motion of the centrifuge during spin-up, de-spin, and steady-rotation is then simulated. Second, a continuum model of the tether is developed for analyzing the stability of lateral tether oscillations. Results indicate that the maximum fluctuation about the 1-g radial acceleration level is less than 0.001 g; the time required for spin-up and de-spin is less than one orbit; and lateral oscillations are stable for any practical values of the system parameters.

Acidity in DMSO from the embedded cluster integral equation quantum solvation model.

PubMed

Heil, Jochen; Tomazic, Daniel; Egbers, Simon; Kast, Stefan M

2014-04-01

The embedded cluster reference interaction site model (EC-RISM) is applied to the prediction of acidity constants of organic molecules in dimethyl sulfoxide (DMSO) solution. EC-RISM is based on a self-consistent treatment of the solute's electronic structure and the solvent's structure by coupling quantum-chemical calculations with three-dimensional (3D) RISM integral equation theory. We compare available DMSO force fields with reference calculations obtained using the polarizable continuum model (PCM). The results are evaluated statistically using two different approaches to eliminating the proton contribution: a linear regression model and an analysis of pK(a) shifts for compound pairs. Suitable levels of theory for the integral equation methodology are benchmarked. The results are further analyzed and illustrated by visualizing solvent site distribution functions and comparing them with an aqueous environment.

Nonlinear waves in solids with slow dynamics: an internal-variable model.

PubMed

Berjamin, H; Favrie, N; Lombard, B; Chiavassa, G

2017-05-01

In heterogeneous solids such as rocks and concrete, the speed of sound diminishes with the strain amplitude of a dynamic loading (softening). This decrease, known as 'slow dynamics', occurs at time scales larger than the period of the forcing. Also, hysteresis is observed in the steady-state response. The phenomenological model by Vakhnenko et al. (2004 Phys. Rev. E 70, 015602. (doi:10.1103/PhysRevE.70.015602)) is based on a variable that describes the softening of the material. However, this model is one dimensional and it is not thermodynamically admissible. In the present article, a three-dimensional model is derived in the framework of the finite-strain theory. An internal variable that describes the softening of the material is introduced, as well as an expression of the specific internal energy. A mechanical constitutive law is deduced from the Clausius-Duhem inequality. Moreover, a family of evolution equations for the internal variable is proposed. Here, an evolution equation with one relaxation time is chosen. By construction, this new model of the continuum is thermodynamically admissible and dissipative (inelastic). In the case of small uniaxial deformations, it is shown analytically that the model reproduces qualitatively the main features of real experiments.

Survival condition for low-frequency quasi-one-dimensional breathers in a two-dimensional strongly anisotropic crystal

NASA Astrophysics Data System (ADS)

Savin, A. V.; Zubova, E. A.; Manevitch, L. I.

2005-06-01

We investigate a two-dimensional (2D) strongly anisotropic crystal (2D SAC) on substrate: 2D system of coupled linear chains of particles with strong intrachain and weak interchain interactions, each chain being subjected to the sine background potential. Nonlinear dynamics of one of these chains when the rest of them are fixed is reduced to the well known Frenkel-Kontorova (FK) model. Depending on strengh of the substrate, the 2D SAC models a variety of physical systems: polymer crystals with identical chains having light side groups, an array of inductively coupled long Josephson junctions, anisotropic crystals having light and heavy sublattices. Continuum limit of the FK model, the sine-Gordon (sG) equation, allows two types of soliton solutions: topological solitons and breathers. It is known that the quasi-one-dimensional topological solitons can propagate also in a chain of 2D system of coupled chains and even in a helix chain in a three-dimensional model of polymer crystal. In contrast to this, numerical simulation shows that the long-living breathers inherent to the FK model do not exist in the 2D SAC with weak background potential. The effect changes scenario of kink-antikink collision with small relative velocity: at weak background potential the collision always results only in intensive phonon radiation while kink-antikink recombination in the FK model results in long-living low-frequency sG breather creation. We found the survival condition for breathers in the 2D SAC on substrate depending on breather frequency and strength of the background potential. The survival condition bears no relation to resonances between breather frequency and frequencies of phonon band—contrary to the case of the FK model.

Analytical solutions of the two-dimensional Dirac equation for a topological channel intersection

NASA Astrophysics Data System (ADS)

Anglin, J. R.; Schulz, A.

2017-01-01

Numerical simulations in a tight-binding model have shown that an intersection of topologically protected one-dimensional chiral channels can function as a beam splitter for noninteracting fermions on a two-dimensional lattice [Qiao, Jung, and MacDonald, Nano Lett. 11, 3453 (2011), 10.1021/nl201941f; Qiao et al., Phys. Rev. Lett. 112, 206601 (2014), 10.1103/PhysRevLett.112.206601]. Here we confirm this result analytically in the corresponding continuum k .p model, by solving the associated two-dimensional Dirac equation, in the presence of a "checkerboard" potential that provides a right-angled intersection between two zero-line modes. The method by which we obtain our analytical solutions is systematic and potentially generalizable to similar problems involving intersections of one-dimensional systems.

Towards three-dimensional continuum models of self-consistent along-strike megathrust segmentation

NASA Astrophysics Data System (ADS)

Pranger, Casper; van Dinther, Ylona; May, Dave; Le Pourhiet, Laetitia; Gerya, Taras

2016-04-01

At subduction megathrusts, propagation of large ruptures may be confined between the up-dip and down-dip limits of the seismogenic zone. This opens a primary role for lateral rupture dimensions to control the magnitude and severity of megathrust earthquakes. The goal of this study is to improve our understanding of the ways in which the inherent variability of the subduction interface may influence the degree of interseismic locking, and the propensity of a rupture to propagate over regions of variable slip potential. The global absence of a historic record sufficiently long to base risk assessment on, makes us rely on numerical modelling as a way to extend our understanding of the spatio-temporal occurrence of earthquakes. However, the complex interaction of the subduction stress environment, the variability of the subduction interface, and the structure and deformation of the crustal wedge has made it very difficult to construct comprehensive numerical models of megathrust segmentation. We develop and exploit the power of a plastic 3D continuum representation of the subduction megathrust, as well as off-megathrust faulting to model the long-term tectonic build-up of stresses, and their sudden seismic release. The sheer size of the 3D problem, and the time scales covering those of tectonics as well as seismology, force us to explore efficient and accurate physical and numerical techniques. We thus focused our efforts on developing a staggered grid finite difference code that makes use of the PETSc library for massively parallel computing. The code incorporates a newly developed automatic discretization algorithm, which enables it to handle a wide variety of equations with relative ease. The different physical and numerical ingredients - like attenuating visco-elasto-plastic materials, frictional weakening and inertially driven seismic release, and adaptive time marching schemes - most of which have been implemented and benchmarked individually - are now combined into one algorithm. We are working towards presenting the first benchmarked 3D dynamic rupture models as an important step towards seismic cycle modelling of megathrust segmentation in a three-dimensional subduction setting with slow tectonic loading, self consistent fault development, and spontaneous seismicity.

Particle connectedness and cluster formation in sequential depositions of particles: integral-equation theory.

PubMed

Danwanichakul, Panu; Glandt, Eduardo D

2004-11-15

We applied the integral-equation theory to the connectedness problem. The method originally applied to the study of continuum percolation in various equilibrium systems was modified for our sequential quenching model, a particular limit of an irreversible adsorption. The development of the theory based on the (quenched-annealed) binary-mixture approximation includes the Ornstein-Zernike equation, the Percus-Yevick closure, and an additional term involving the three-body connectedness function. This function is simplified by introducing a Kirkwood-like superposition approximation. We studied the three-dimensional (3D) system of randomly placed spheres and 2D systems of square-well particles, both with a narrow and with a wide well. The results from our integral-equation theory are in good accordance with simulation results within a certain range of densities.

Particle connectedness and cluster formation in sequential depositions of particles: Integral-equation theory

NASA Astrophysics Data System (ADS)

Danwanichakul, Panu; Glandt, Eduardo D.

2004-11-01

We applied the integral-equation theory to the connectedness problem. The method originally applied to the study of continuum percolation in various equilibrium systems was modified for our sequential quenching model, a particular limit of an irreversible adsorption. The development of the theory based on the (quenched-annealed) binary-mixture approximation includes the Ornstein-Zernike equation, the Percus-Yevick closure, and an additional term involving the three-body connectedness function. This function is simplified by introducing a Kirkwood-like superposition approximation. We studied the three-dimensional (3D) system of randomly placed spheres and 2D systems of square-well particles, both with a narrow and with a wide well. The results from our integral-equation theory are in good accordance with simulation results within a certain range of densities.

Stress Distribution in a Rigidly Clamped Composite Plate with Locally Curved Structures under Forced Vibration

NASA Astrophysics Data System (ADS)

Zamanov, A. D.

2001-09-01

A problem on the forced vibrations of a rectangular composite plate with locally curved structures is formulated using the exact three-dimensional equations of continuum mechanics and continuum theory. A technique for numerical solution of the problem is developed based on the semianalytic finite-element method. Numerical results are given for the stress distribution in the plate under forced vibrations. The results obtained are analyzed to study the effect of the curvature in the structure of the plate on the distribution of stress amplitudes. It is shown that the curvatures change significantly the stress pattern under either static or dynamic loading

Micromechanical modelling of polyethylene

NASA Astrophysics Data System (ADS)

Alvarado Contreras, Jose Andres

2008-10-01

The increasing use of polyethylene in diverse applications motivates the need for understanding how its molecular properties relate to the overall behaviour of the material. Although microstructure and mechanical properties of polymers have been the subject of several studies, the irreversible microstructural rearrangements occurring at large deformations are not completely understood. The purpose of this thesis is to describe how the concepts of Continuum Damage Mechanics can be applied to modelling of polyethylene materials under different loading conditions. The first part of the thesis consists of the theoretical formulation and numerical implementation of a three-dimensional micromechanical model for crystalline polyethylene. Based on the theory of shear slip on crystallographic planes, the proposed model is expressed in the framework of viscoplasticity coupled with degradation at large deformations. Earlier models aid in the interpretation of the mechanical behaviour of crystalline polyethylene under different loading conditions; however, they cannot predict the microstructural damage caused by deformation. The model, originally due to Parks and Ahzi (199o), was further developed in the light of the concept of Continuum Damage Mechanics to consider the original microstructure, the particular irreversible rearrangements, and the deformation mechanisms. Damage mechanics has been a matter of intensive research by many authors, yet it has not been introduced to the micromodelling of semicrystalline polymeric materials such as polyethylene. Regarding the material representation, the microstructure is simplified as an aggregate of randomly oriented and perfectly bonded crystals. To simulate large deformations, the new constitutive model attempts to take into account existence of intracrystalline microcracks. The second part of the work presents the theoretical formulation and numerical implementation of a three-dimensional constitutive model for the mechanical behaviour of semicrystalline polyethylene. The model proposed herein attempts to describe the deformation and degradation process in semicrystalline polyethylene following the approach of damage mechanics. Structural degradation, an important phenomenon at large deformations, has not received sufficient attention in the literature. The modifications to the constitutive equations consist essentially of introducing the concept of Continuum Damage Mechanics to describe the rupture of the intermolecular (van der Waals) bonds that hold crystals as coherent structures. In order to model the mechanical behaviour, the material morphology is simplified as a collection of inclusions comprising the crystalline and amorphous phases with their characteristic average volume fractions. In the spatial arrangement, each inclusion consists of crystalline material lying in a thin lamella attached to an amorphous layer. To consider microstructural damage, two different approaches are analyzed. The first approach assumes damage occurs only in the crystalline phase, i.e., degradation of the amorphous phase is ignored. The second approach considers the effect of damage on the mechanical behaviour of both the amorphous and crystalline phases. To illustrate the proposed constitutive formulations, the models were used to predict the responses of crystalline and semicrystalline polyethylene under uniaxial tension and simple shear. The numerical simulations were compared with experimental data previously obtained by Bartczak et al. (1994), G'Sell and Jonas (1981), G'Sell et al. (1983), Hillmansen et al. (2000), and Li et al. (2001). Our model's predictions show a consistently good agreement with the experimental results and a significant improvement with respect to the ones obtained by Parks and Ahzi (1990), Schoenfeld et al. (1995), Yang and Chen (2001), Lee et al. (i993b), Lee et al. (1993a), and Nikolov et al. (2006). The newly proposed formulations demonstrate that these types of constitutive models based on Continuum Damage Mechanics are appropriate for predicting large deformations and failure in polyethylene materials.

A nonlocal continuum model for the biaxial buckling analysis of composite nanoplates with shape memory alloy nanowires

NASA Astrophysics Data System (ADS)

Farajpour, M. R.; Shahidi, A. R.; Farajpour, A.

2018-03-01

In this study, the buckling behavior of a three-layered composite nanoplate reinforced with shape memory alloy (SMA) nanowires is examined. Whereas the upper and lower layers are reinforced with typical nanowires, SMA nanoscale wires are used to strengthen the middle layer of the system. The composite nanoplate is assumed to be under the action of biaxial compressive loading. A scale-dependent mathematical model is presented with the consideration of size effects within the context of the Eringen’s nonlocal continuum mechanics. Using the one-dimensional Brinson’s theory and the Kirchhoff theory of plates, the governing partial differential equations of SMA nanowire-reinforced hybrid nanoplates are derived. Both lateral and longitudinal deflections are taken into consideration in the theoretical formulation and method of solution. In order to reduce the governing differential equations to their corresponding algebraic equations, a discretization approach based on the differential quadrature method is employed. The critical buckling loads of the hybrid nanosystem with various boundary conditions are obtained with the use of a standard eigenvalue solver. It is found that the stability response of SMA composite nanoplates is strongly sensitive to the small scale effect.

Neoclassical simulation of tokamak plasmas using the continuum gyrokinetic code TEMPEST.

PubMed

Xu, X Q

2008-07-01

We present gyrokinetic neoclassical simulations of tokamak plasmas with a self-consistent electric field using a fully nonlinear (full- f ) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five-dimensional computational grid in phase space. The present implementation is a method of lines approach where the phase-space derivatives are discretized with finite differences, and implicit backward differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving the gyrokinetic Poisson equation with self-consistent poloidal variation. With a four-dimensional (psi,theta,micro) version of the TEMPEST code, we compute the radial particle and heat fluxes, the geodesic-acoustic mode, and the development of the neoclassical electric field, which we compare with neoclassical theory using a Lorentz collision model. The present work provides a numerical scheme for self-consistently studying important dynamical aspects of neoclassical transport and electric field in toroidal magnetic fusion devices.

Neoclassical simulation of tokamak plasmas using the continuum gyrokinetic code TEMPEST

NASA Astrophysics Data System (ADS)

Xu, X. Q.

2008-07-01

We present gyrokinetic neoclassical simulations of tokamak plasmas with a self-consistent electric field using a fully nonlinear (full- f ) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five-dimensional computational grid in phase space. The present implementation is a method of lines approach where the phase-space derivatives are discretized with finite differences, and implicit backward differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving the gyrokinetic Poisson equation with self-consistent poloidal variation. With a four-dimensional (ψ,θ,γ,μ) version of the TEMPEST code, we compute the radial particle and heat fluxes, the geodesic-acoustic mode, and the development of the neoclassical electric field, which we compare with neoclassical theory using a Lorentz collision model. The present work provides a numerical scheme for self-consistently studying important dynamical aspects of neoclassical transport and electric field in toroidal magnetic fusion devices.

Topics in Covariant Closed String Field Theory and Two-Dimensional Quantum Gravity

NASA Astrophysics Data System (ADS)

Saadi, Maha

1991-01-01

The closed string field theory based on the Witten vertex is found to be nonpolynomial in order to reproduce all tree amplitudes correctly. The interactions have a geometrical pattern of overlaps, which can be thought as the edges of a spherical polyhedron with face-perimeters equal to 2pi. At each vertex of the polyhedron there are three faces, thus all elementary interactions are cubic in the sense that at most three strings can coincide at a point. The quantum action is constructed by substracting counterterms which cancel the overcounting of moduli space, and by adding loop vertices in such a way no possible surfaces are missed. A counterterm that gives the correct one-string one-loop amplitude is formulated. The lowest order loop vertices are analyzed in the cases of genus one and two. Also, a one-loop two -string counterterm that restores BRST invariance to the respective scattering amplitude is constructed. An attempt to understand the formulation of two -dimensional pure gravity from the discrete representation of a two-dimensional surface is made. This is considered as a toy model of string theory. A well-defined mathematical model is used. Its continuum limit cannot be naively interpreted as pure gravity because each term of the sum over surfaces is not positive definite. The model, however, could be considered as an analytic continuation of the standard matrix model formulation of gravity. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253-1690.).

A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

NASA Technical Reports Server (NTRS)

Saether, E.; Yamakov, V.; Glaessgen, E.

2007-01-01

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

Bottom-up modeling of damage in heterogeneous quasi-brittle solids

NASA Astrophysics Data System (ADS)

Rinaldi, Antonio

2013-03-01

The theoretical modeling of multisite cracking in quasi-brittle materials is a complex damage problem, hard to model with traditional methods of fracture mechanics due to its multiscale nature and to strain localization induced by microcracks interaction. Macroscale "effective" elastic models can be conveniently applied if a suitable Helmholtz free energy function is identified for a given material scenario. Del Piero and Truskinovsky (Continuum Mech Thermodyn 21:141-171, 2009), among other authors, investigated macroscale continuum solutions capable of matching—in a top-down view—the phenomenology of the damage process for quasi-brittle materials regardless of the microstructure. On the contrary, this paper features a physically based solution method that starts from the direct consideration of the microscale properties and, in a bottom-up view, recovers a continuum elastic description. This procedure is illustrated for a simple one-dimensional problem of this type, a bar modeled stretched by an axial displacement, where the bar is modeled as a 2D random lattice of decohesive spring elements of finite strength. The (microscale) data from simulations are used to identify the "exact" (macro-) damage parameter and to build up the (macro-) Helmholtz function for the equivalent elastic model, bridging the macroscale approach by Del Piero and Truskinovsky. The elastic approach, coupled with microstructural knowledge, becomes a more powerful tool to reproduce a broad class of macroscopic material responses by changing the convexity-concavity of the Helmholtz energy. The analysis points out that mean-field statistics are appropriate prior to damage localization but max-field statistics are better suited in the softening regime up to failure, where microstrain fluctuation needs to be incorporated in the continuum model. This observation is of consequence to revise mean-field damage models from literature and to calibrate Nth gradient continuum models.

Two-dimensional description of surface-bounded exospheres with application to the migration of water molecules on the Moon

NASA Astrophysics Data System (ADS)

Schorghofer, Norbert

2015-05-01

On the Moon, water molecules and other volatiles are thought to migrate along ballistic trajectories. Here, this migration process is described in terms of a two-dimensional partial differential equation for the surface concentration, based on the probability distribution of thermal ballistic hops. A random-walk model, a corresponding diffusion coefficient, and a continuum description are provided. In other words, a surface-bounded exosphere is described purely in terms of quantities on the surface, which can provide computational and conceptual advantages. The derived continuum equation can be used to calculate the steady-state distribution of the surface concentration of volatile water molecules. An analytic steady-state solution is obtained for an equatorial ring; it reveals the width and mass of the pileup of molecules at the morning terminator.

Continuum and three-nucleon force effects on Be 9 energy levels

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

Langhammer, Joachim; Navrátil, Petr; Quaglioni, Sofia

2015-02-05

In this paper, we extend the recently proposed ab initio no-core shell model with continuum to include three-nucleon (3N) interactions beyond the few-body domain. The extended approach allows for the assessment of effects of continuum degrees of freedom as well as of the 3N force in ab initio calculations of structure and reaction observables of p- and lower-sd-shell nuclei. As a first application we concentrate on energy levels of the 9Be system for which all excited states lie above the n- 8Be threshold. For all energy levels, the inclusion of the continuum significantly improves the agreement with experiment, which wasmore » an issue in standard no-core shell model calculations. Furthermore, we find the proper treatment of the continuum indispensable for reliable statements about the quality of the adopted 3N interaction from chiral effective field theory. Finally, in particular, we find the 1/2 + resonance energy, which is of astrophysical interest, in good agreement with experiment.« less

Vector calculus in non-integer dimensional space and its applications to fractal media

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2015-02-01

We suggest a generalization of vector calculus for the case of non-integer dimensional space. The first and second orders operations such as gradient, divergence, the scalar and vector Laplace operators for non-integer dimensional space are defined. For simplification we consider scalar and vector fields that are independent of angles. We formulate a generalization of vector calculus for rotationally covariant scalar and vector functions. This generalization allows us to describe fractal media and materials in the framework of continuum models with non-integer dimensional space. As examples of application of the suggested calculus, we consider elasticity of fractal materials (fractal hollow ball and fractal cylindrical pipe with pressure inside and outside), steady distribution of heat in fractal media, electric field of fractal charged cylinder. We solve the correspondent equations for non-integer dimensional space models.

Toward an alcohol use disorder continuum using item response theory: results from the National Epidemiologic Survey on Alcohol and Related Conditions.

PubMed

Saha, Tulshi D; Chou, S Patricia; Grant, Bridget F

2006-07-01

Item response theory (IRT) was used to determine whether the DSM-IV diagnostic criteria for alcohol abuse and dependence are arrayed along a continuum of severity. Data came from a large nationally representative sample of the US population, 18 years and older. A two-parameter logistic IRT model was used to determine the severity and discrimination of each DSM-IV criterion. Differential criterion functioning (DCF) was also assessed across subgroups of the population defined by sex, age and race-ethnicity. All DSM-IV alcohol abuse and dependence criteria, except alcohol-related legal problems, formed a continuum of alcohol use disorder severity. Abuse and dependence criteria did not consistently tap the mildest or more severe end of the continuum respectively, and several criteria were identified as potentially redundant. The drinking in larger amounts or for longer than intended dependence criterion had the greatest discrimination and lowest severity than any other criterion. Although several criteria were found to function differentially between subgroups defined in terms of sex and age, there was evidence that the generalizability and validity of the criterion forming the continuum remained intact at the test score level. DSM-IV diagnostic criteria for alcohol abuse and dependence form a continuum of severity, calling into question the abuse-dependence distinction in the DSM-IV and the interpretation of abuse as a milder disorder than dependence. The criteria tapped the more severe end of the alcohol use disorder continuum, highlighting the need to identify other criteria capturing the mild to intermediate range of the severity. The drinking larger amounts or longer than intended dependence criterion may be a bridging criterion between drinking patterns that incur risk of alcohol use disorder at the milder end of the continuum, with tolerance, withdrawal, impaired control and serious social and occupational dysfunction at the more severe end of the alcohol use disorder continuum. Future IRT and other dimensional analyses hold great promise in informing revisions to categorical classifications and constructing new dimensional classifications of alcohol use disorders based on the DSM and the ICD.

Perfect transmission at oblique incidence by trigonal warping in graphene P-N junctions

NASA Astrophysics Data System (ADS)

Zhang, Shu-Hui; Yang, Wen

2018-01-01

We develop an analytical mode-matching technique for the tight-binding model to describe electron transport across graphene P-N junctions. This method shares the simplicity of the conventional mode-matching technique for the low-energy continuum model and the accuracy of the tight-binding model over a wide range of energies. It further reveals an interesting phenomenon on a sharp P-N junction: the disappearance of the well-known Klein tunneling (i.e., perfect transmission) at normal incidence and the appearance of perfect transmission at oblique incidence due to trigonal warping at energies beyond the linear Dirac regime. We show that this phenomenon arises from the conservation of a generalized pseudospin in the tight-binding model. We expect this effect to be experimentally observable in graphene and other Dirac fermions systems, such as the surface of three-dimensional topological insulators.

Dispersive wave propagation in two-dimensional rigid periodic blocky materials with elastic interfaces

NASA Astrophysics Data System (ADS)

Bacigalupo, Andrea; Gambarotta, Luigi

2017-05-01

Dispersive waves in two-dimensional blocky materials with periodic microstructure made up of equal rigid units, having polygonal centro-symmetric shape with mass and gyroscopic inertia, connected with each other through homogeneous linear interfaces, have been analyzed. The acoustic behavior of the resulting discrete Lagrangian model has been obtained through a Floquet-Bloch approach. From the resulting eigenproblem derived by the Euler-Lagrange equations for harmonic wave propagation, two acoustic branches and an optical branch are obtained in the frequency spectrum. A micropolar continuum model to approximate the Lagrangian model has been derived based on a second-order Taylor expansion of the generalized macro-displacement field. The constitutive equations of the equivalent micropolar continuum have been obtained, with the peculiarity that the positive definiteness of the second-order symmetric tensor associated to the curvature vector is not guaranteed and depends both on the ratio between the local tangent and normal stiffness and on the block shape. The same results have been obtained through an extended Hamiltonian derivation of the equations of motion for the equivalent continuum that is related to the Hill-Mandel macro homogeneity condition. Moreover, it is shown that the hermitian matrix governing the eigenproblem of harmonic wave propagation in the micropolar model is exact up to the second order in the norm of the wave vector with respect to the same matrix from the discrete model. To appreciate the acoustic behavior of some relevant blocky materials and to understand the reliability and the validity limits of the micropolar continuum model, some blocky patterns have been analyzed: rhombic and hexagonal assemblages and running bond masonry. From the results obtained in the examples, the obtained micropolar model turns out to be particularly accurate to describe dispersive functions for wavelengths greater than 3-4 times the characteristic dimension of the block. Finally, in consideration that the positive definiteness of the second order elastic tensor of the micropolar model is not guaranteed, the hyperbolicity of the equation of motion has been investigated by considering the Legendre-Hadamard ellipticity conditions requiring real values for the wave velocity.

Deposition on disordered substrates with precursor layer diffusion

NASA Astrophysics Data System (ADS)

Filipe, J. A. N.; Rodgers, G. J.; Tavassoli, Z.

1998-09-01

Recently we introduced a one-dimensional accelerated random sequential adsorption process as a model for chemisorption with precursor layer diffusion. In this paper we consider this deposition process on disordered or impure substrates. The problem is solved exactly on both the lattice and continuum and for various impurity distributions. The results are compared with those from the standard random sequential adsorption model.

Mechanics of couple-stress fluid coatings

NASA Technical Reports Server (NTRS)

Waxman, A. M.

1982-01-01

The formal development of a theory of viscoelastic surface fluids with bending resistance - their kinematics, dynamics, and rheology are discussed. It is relevant to the mechanics of fluid drops and jets coated by a thin layer of immiscible fluid with rather general rheology. This approach unifies the hydrodynamics of two-dimensional fluids with the mechanics of an elastic shell in the spirit of a Cosserat continuum. There are three distinct facets to the formulation of surface continuum mechanics. Outlined are the important ideas and results associated with each: the kinematics of evolving surface geometries, the conservation laws governing the mechanics of surface continua, and the rheological equations of state governing the surface stress and moment tensors.

N-S/DSMC hybrid simulation of hypersonic flow over blunt body including wakes

NASA Astrophysics Data System (ADS)

Li, Zhonghua; Li, Zhihui; Li, Haiyan; Yang, Yanguang; Jiang, Xinyu

2014-12-01

A hybrid N-S/DSMC method is presented and applied to solve the three-dimensional hypersonic transitional flows by employing the MPC (modular Particle-Continuum) technique based on the N-S and the DSMC method. A sub-relax technique is adopted to deal with information transfer between the N-S and the DSMC. The hypersonic flows over a 70-deg spherically blunted cone under different Kn numbers are simulated using the CFD, DSMC and hybrid N-S/DSMC method. The present computations are found in good agreement with DSMC and experimental results. The present method provides an efficient way to predict the hypersonic aerodynamics in near-continuum transitional flow regime.

Optical observables in stars with non-stationary atmospheres. [fireballs and cepheid models

NASA Technical Reports Server (NTRS)

Hillendahl, R. W.

1980-01-01

Experience gained by use of Cepheid modeling codes to predict the dimensional and photometric behavior of nuclear fireballs is used as a means of validating various computational techniques used in the Cepheid codes. Predicted results from Cepheid models are compared with observations of the continuum and lines in an effort to demonstrate that the atmospheric phenomena in Cepheids are quite complex but that they can be quantitatively modeled.

Nonlinear waves in solids with slow dynamics: an internal-variable model

PubMed Central

Berjamin, H.; Favrie, N.; Chiavassa, G.

2017-01-01

In heterogeneous solids such as rocks and concrete, the speed of sound diminishes with the strain amplitude of a dynamic loading (softening). This decrease, known as ‘slow dynamics’, occurs at time scales larger than the period of the forcing. Also, hysteresis is observed in the steady-state response. The phenomenological model by Vakhnenko et al. (2004 Phys. Rev. E 70, 015602. (doi:10.1103/PhysRevE.70.015602)) is based on a variable that describes the softening of the material. However, this model is one dimensional and it is not thermodynamically admissible. In the present article, a three-dimensional model is derived in the framework of the finite-strain theory. An internal variable that describes the softening of the material is introduced, as well as an expression of the specific internal energy. A mechanical constitutive law is deduced from the Clausius–Duhem inequality. Moreover, a family of evolution equations for the internal variable is proposed. Here, an evolution equation with one relaxation time is chosen. By construction, this new model of the continuum is thermodynamically admissible and dissipative (inelastic). In the case of small uniaxial deformations, it is shown analytically that the model reproduces qualitatively the main features of real experiments. PMID:28588408

Ultrafast Three-Dimensional Integrated Imaging of Strain in Core/Shell Semiconductor/Metal Nanostructures

DOE PAGES

Cherukara, Mathew J.; Sasikumar, Kiran; DiChiara, Anthony; ...

2017-11-07

Visualizing the dynamical response of material heterointerfaces is increasingly important for the design of hybrid materials and structures with tailored properties for use in functional devices. In situ characterization of nanoscale heterointerfaces such as metal-semiconductor interfaces, which exhibit a complex interplay between lattice strain, electric potential, and heat transport at subnanosecond time scales, is particularly challenging. Here in this work, we use a laser pump/X-ray probe form of Bragg coherent diffraction imaging (BCDI) to visualize in three-dimension the deformation of the core of a model core/shell semiconductor-metal (ZnO/Ni) nanorod following laser heating of the shell. We observe a rich interplaymore » of radial, axial, and shear deformation modes acting at different time scales that are induced by the strain from the Ni shell. We construct experimentally informed models by directly importing the reconstructed crystal from the ultrafast experiment into a thermo-electromechanical continuum model. The model elucidates the origin of the deformation modes observed experimentally. Our integrated imaging approach represents an invaluable tool to probe strain dynamics across mixed interfaces under operando conditions.« less

Prediction of Thrombus Growth: Effect of Stenosis and Reynolds Number.

PubMed

Hosseinzadegan, Hamid; Tafti, Danesh K

2017-06-01

Shear stresses play a major role in platelet-substrate interactions and thrombus formation and growth in blood flow, where under both pathological and physiological conditions platelet adhesion and accumulation occur. In this study, a shear-dependent continuum model for platelet activation, adhesion and aggregation is presented. The model was first verified under three different shear conditions and at two heparin levels. Three-dimensional simulations were then carried out to evaluate the performance of the model for severely damaged (stripped) aortas with mild and severe stenosis degrees in laminar flow regime. For these cases, linear shear-dependent functions were developed for platelet-surface and platelet-platelet adhesion rates. It was confirmed that the platelet adhesion rate is not only a function of Reynolds number (or wall shear rate) but also the stenosis severity of the vessel. General correlations for adhesion rates of platelets as functions of stenosis and Reynolds number were obtained based on these cases. Finally using the new platelet adhesion rates, the model was applied to different experimental systems and shown to agree well with measured platelet deposition.

Ultrafast Three-Dimensional Integrated Imaging of Strain in Core/Shell Semiconductor/Metal Nanostructures

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

Cherukara, Mathew J.; Sasikumar, Kiran; DiChiara, Anthony

Visualizing the dynamical response of material heterointerfaces is increasingly important for the design of hybrid materials and structures with tailored properties for use in functional devices. In situ characterization of nanoscale heterointerfaces such as metal-semiconductor interfaces, which exhibit a complex interplay between lattice strain, electric potential, and heat transport at subnanosecond time scales, is particularly challenging. Here in this work, we use a laser pump/X-ray probe form of Bragg coherent diffraction imaging (BCDI) to visualize in three-dimension the deformation of the core of a model core/shell semiconductor-metal (ZnO/Ni) nanorod following laser heating of the shell. We observe a rich interplaymore » of radial, axial, and shear deformation modes acting at different time scales that are induced by the strain from the Ni shell. We construct experimentally informed models by directly importing the reconstructed crystal from the ultrafast experiment into a thermo-electromechanical continuum model. The model elucidates the origin of the deformation modes observed experimentally. Our integrated imaging approach represents an invaluable tool to probe strain dynamics across mixed interfaces under operando conditions.« less

Ultrafast Three-Dimensional Integrated Imaging of Strain in Core/Shell Semiconductor/Metal Nanostructures.

PubMed

Cherukara, Mathew J; Sasikumar, Kiran; DiChiara, Anthony; Leake, Steven J; Cha, Wonsuk; Dufresne, Eric M; Peterka, Tom; McNulty, Ian; Walko, Donald A; Wen, Haidan; Sankaranarayanan, Subramanian K R S; Harder, Ross J

2017-12-13

Visualizing the dynamical response of material heterointerfaces is increasingly important for the design of hybrid materials and structures with tailored properties for use in functional devices. In situ characterization of nanoscale heterointerfaces such as metal-semiconductor interfaces, which exhibit a complex interplay between lattice strain, electric potential, and heat transport at subnanosecond time scales, is particularly challenging. In this work, we use a laser pump/X-ray probe form of Bragg coherent diffraction imaging (BCDI) to visualize in three-dimension the deformation of the core of a model core/shell semiconductor-metal (ZnO/Ni) nanorod following laser heating of the shell. We observe a rich interplay of radial, axial, and shear deformation modes acting at different time scales that are induced by the strain from the Ni shell. We construct experimentally informed models by directly importing the reconstructed crystal from the ultrafast experiment into a thermo-electromechanical continuum model. The model elucidates the origin of the deformation modes observed experimentally. Our integrated imaging approach represents an invaluable tool to probe strain dynamics across mixed interfaces under operando conditions.

Three-dimensional simulations of nanopowder compaction processes by granular dynamics method.

PubMed

Boltachev, G Sh; Lukyashin, K E; Shitov, V A; Volkov, N B

2013-07-01

In order to describe and to study the processes of cold compaction within the discrete element method a three-dimensional model of nanosized powder is developed. The elastic forces of repulsion, the tangential forces of "friction" (Cattaneo-Mindlin), and the dispersion forces of attraction (van der Waals-Hamaker), as well as the formation and destruction of hard bonds between the individual particles are taken into account. The monosized powders with the size of particles in the range 10-40 nm are simulated. The simulation results are compared to the experimental data of the alumina nanopowders compaction. It is shown that the model allows us to reproduce experimental data reliably and, in particular, describes the size effect in the compaction processes. A number of different external loading conditions is used in order to perform the theoretical and experimental researches. The uniaxial compaction (the closed-die compaction), the biaxial (radial) compaction, and the isotropic compaction (the cold isostatic pressing) are studied. The real and computed results are in a good agreement with each other. They reveal a weak sensitivity of the oxide nanopowders to the loading condition (compaction geometry). The application of the continuum theory of the plastically hardening porous body, which is usually used for the description of powders, is discussed.

Three-dimensional simulations of nanopowder compaction processes by granular dynamics method

NASA Astrophysics Data System (ADS)

Boltachev, G. Sh.; Lukyashin, K. E.; Shitov, V. A.; Volkov, N. B.

2013-07-01

In order to describe and to study the processes of cold compaction within the discrete element method a three-dimensional model of nanosized powder is developed. The elastic forces of repulsion, the tangential forces of “friction” (Cattaneo-Mindlin), and the dispersion forces of attraction (van der Waals-Hamaker), as well as the formation and destruction of hard bonds between the individual particles are taken into account. The monosized powders with the size of particles in the range 10-40 nm are simulated. The simulation results are compared to the experimental data of the alumina nanopowders compaction. It is shown that the model allows us to reproduce experimental data reliably and, in particular, describes the size effect in the compaction processes. A number of different external loading conditions is used in order to perform the theoretical and experimental researches. The uniaxial compaction (the closed-die compaction), the biaxial (radial) compaction, and the isotropic compaction (the cold isostatic pressing) are studied. The real and computed results are in a good agreement with each other. They reveal a weak sensitivity of the oxide nanopowders to the loading condition (compaction geometry). The application of the continuum theory of the plastically hardening porous body, which is usually used for the description of powders, is discussed.

Computational analysis of the SSME fuel preburner flow

NASA Technical Reports Server (NTRS)

Wang, T. S.; Farmer, R. C.

1986-01-01

A computational fluid dynamics model which simulates the steady state operation of the SSME fuel preburner is developed. Specifically, the model will be used to quantify the flow factors which cause local hot spots in the fuel preburner in order to recommend experiments whereby the control of undesirable flow features can be demonstrated. The results of a two year effort to model the preburner are presented. In this effort, investigating the fuel preburner flowfield, the appropriate transport equations were numerically solved for both an axisymmetric and a three-dimensional configuration. Continuum's VAST (Variational Solution of the Transport equations) code, in conjunction with the CM-1000 Engineering Analysis Workstation and the NASA/Ames CYBER 205, was used to perform the required calculations. It is concluded that the preburner operational anomalies are not due to steady state phenomena and must, therefore, be related to transient operational procedures.

The shock-heated atmosphere of an asymptotic giant branch star resolved by ALMA

NASA Astrophysics Data System (ADS)

Vlemmings, Wouter; Khouri, Theo; O'Gorman, Eamon; De Beck, Elvire; Humphreys, Elizabeth; Lankhaar, Boy; Maercker, Matthias; Olofsson, Hans; Ramstedt, Sofia; Tafoya, Daniel; Takigawa, Aki

2017-12-01

Our current understanding of the chemistry and mass-loss processes in Sun-like stars at the end of their evolution depends critically on the description of convection, pulsations and shocks in the extended stellar atmosphere1. Three-dimensional hydrodynamical stellar atmosphere models provide observational predictions2, but so far the resolution to constrain the complex temperature and velocity structures seen in the models has been lacking. Here we present submillimetre continuum and line observations that resolve the atmosphere of the asymptotic giant branch star W Hydrae. We show that hot gas with chromospheric characteristics exists around the star. Its filling factor is shown to be small. The existence of such gas requires shocks with a cooling time longer than commonly assumed. A shocked hot layer will be an important ingredient in current models of stellar convection, pulsation and chemistry at the late stages of stellar evolution.

Phenomenology of TeV little string theory from holography.

PubMed

Antoniadis, Ignatios; Arvanitaki, Asimina; Dimopoulos, Savas; Giveon, Amit

2012-02-24

We study the graviton phenomenology of TeV little string theory by exploiting its holographic gravity dual five-dimensional theory. This dual corresponds to a linear dilaton background with a large bulk that constrains the standard model fields on the boundary of space. The linear dilaton geometry produces a unique Kaluza-Klein graviton spectrum that exhibits a ~TeV mass gap followed by a near continuum of narrow resonances that are separated from each other by only ~30 GeV. Resonant production of these particles at the LHC is the signature of this framework that distinguishes it from large extra dimensions, where the Kaluza-Klein states are almost a continuum with no mass gap, and warped models, where the states are separated by a TeV.

Modes of self-organization of diluted bubbly liquids in acoustic fields: One-dimensional theory.

PubMed

Gumerov, Nail A; Akhatov, Iskander S

2017-02-01

The paper is dedicated to mathematical modeling of self-organization of bubbly liquids in acoustic fields. A continuum model describing the two-way interaction of diluted polydisperse bubbly liquids and acoustic fields in weakly-nonlinear approximation is studied analytically and numerically in the one-dimensional case. It is shown that the regimes of self-organization of monodisperse bubbly liquids can be controlled by only a few dimensionless parameters. Two basic modes, clustering and propagating shock waves of void fraction (acoustically induced transparency), are identified and criteria for their realization in the space of parameters are proposed. A numerical method for solving of one-dimensional self-organization problems is developed. Computational results for mono- and polydisperse systems are discussed.

Simulations of four-dimensional simplicial quantum gravity as dynamical triangulation

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

Agishtein, M.E.; Migdal, A.A.

1992-04-20

In this paper, Four-Dimensional Simplicial Quantum Gravity is simulated using the dynamical triangulation approach. The authors studied simplicial manifolds of spherical topology and found the critical line for the cosmological constant as a function of the gravitational one, separating the phases of opened and closed Universe. When the bare cosmological constant approaches this line from above, the four-volume grows: the authors reached about 5 {times} 10{sup 4} simplexes, which proved to be sufficient for the statistical limit of infinite volume. However, for the genuine continuum theory of gravity, the parameters of the lattice model should be further adjusted to reachmore » the second order phase transition point, where the correlation length grows to infinity. The authors varied the gravitational constant, and they found the first order phase transition, similar to the one found in three-dimensional model, except in 4D the fluctuations are rather large at the transition point, so that this is close to the second order phase transition. The average curvature in cutoff units is large and positive in one phase (gravity), and small negative in another (antigravity). The authors studied the fractal geometry of both phases, using the heavy particle propagator to define the geodesic map, as well as with the old approach using the shortest lattice paths.« less

Three-dimensional analysis of a faulted CO 2 reservoir using an Eshelby-Mori-Tanaka approach to rock elastic properties and fault permeability

DOE PAGES

Nguyen, Ba Nghiep; Hou, Zhangshuan; Last, George V.; ...

2016-09-29

This work develops a three-dimensional multiscale model to analyze a complex CO 2 faulted reservoir that includes some key geological features of the San Andreas and nearby faults southwest of the Kimberlina site. The model uses the STOMP-CO 2 code for flow modeling that is coupled to the ABAQUS® finite element package for geomechanical analysis. A 3D ABAQUS® finite element model is developed that contains a large number of 3D solid elements with two nearly parallel faults whose damage zones and cores are discretized using the same continuum elements. Five zones with different mineral compositions are considered: shale, sandstone, faultmore » damaged sandstone, fault damaged shale, and fault core. Rocks’ elastic properties that govern their poroelastic behavior are modeled by an Eshelby-Mori-Tanka approach (EMTA). EMTA can account for up to 15 mineral phases. The permeability of fault damage zones affected by crack density and orientations is also predicted by an EMTA formulation. A STOMP-CO 2 grid that exactly maps the ABAQUS® finite element model is built for coupled hydro-mechanical analyses. Simulations of the reservoir assuming three different crack pattern situations (including crack volume fraction and orientation) for the fault damage zones are performed to predict the potential leakage of CO 2 due to cracks that enhance the permeability of the fault damage zones. Here, the results illustrate the important effect of the crack orientation on fault permeability that can lead to substantial leakage along the fault attained by the expansion of the CO 2 plume. Potential hydraulic fracture and the tendency for the faults to slip are also examined and discussed in terms of stress distributions and geomechanical properties.« less

Three-dimensional analysis of a faulted CO 2 reservoir using an Eshelby-Mori-Tanaka approach to rock elastic properties and fault permeability

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

Nguyen, Ba Nghiep; Hou, Zhangshuan; Last, George V.

This work develops a three-dimensional multiscale model to analyze a complex CO 2 faulted reservoir that includes some key geological features of the San Andreas and nearby faults southwest of the Kimberlina site. The model uses the STOMP-CO 2 code for flow modeling that is coupled to the ABAQUS® finite element package for geomechanical analysis. A 3D ABAQUS® finite element model is developed that contains a large number of 3D solid elements with two nearly parallel faults whose damage zones and cores are discretized using the same continuum elements. Five zones with different mineral compositions are considered: shale, sandstone, faultmore » damaged sandstone, fault damaged shale, and fault core. Rocks’ elastic properties that govern their poroelastic behavior are modeled by an Eshelby-Mori-Tanka approach (EMTA). EMTA can account for up to 15 mineral phases. The permeability of fault damage zones affected by crack density and orientations is also predicted by an EMTA formulation. A STOMP-CO 2 grid that exactly maps the ABAQUS® finite element model is built for coupled hydro-mechanical analyses. Simulations of the reservoir assuming three different crack pattern situations (including crack volume fraction and orientation) for the fault damage zones are performed to predict the potential leakage of CO 2 due to cracks that enhance the permeability of the fault damage zones. Here, the results illustrate the important effect of the crack orientation on fault permeability that can lead to substantial leakage along the fault attained by the expansion of the CO 2 plume. Potential hydraulic fracture and the tendency for the faults to slip are also examined and discussed in terms of stress distributions and geomechanical properties.« less

Large enhancement of second harmonic generation from transition-metal dichalcogenide monolayer on grating near bound states in the continuum.

PubMed

Wang, Tiecheng; Zhang, Shihao

2018-01-08

Second harmonic generation from the two-layer structure where a transition-metal dichalcogenide monolayer is put on a one-dimensional grating has been studied. This grating supports bound states in the continuum which have no leakage lying within the continuum of radiation modes, we can enhance the second harmonic generation from the transition-metal dichalcogenide monolayer by more than four orders of magnitude based on the critical field enhancement near the bound states in the continuum. In order to complete this calculation, the scattering matrix theory has been extended to include the nonlinear effect and the scattering matrix of a two-dimensional material including nonlinear terms; furthermore, two methods to observe the bound states in the continuum are considered, where one is tuning the thickness of the grating and the other is changing the incident angle of the electromagnetic wave. We have also discussed various modulation of the second harmonic generation enhancement by adjusting the azimuthal angle of the transition-metal dichalcogenide monolayer.

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.

A viscoelastic model for dielectric elastomers based on a continuum mechanical formulation and its finite element implementation

NASA Astrophysics Data System (ADS)

Bueschel, A.; Klinkel, S.; Wagner, W.

2011-04-01

Smart materials are active and multifunctional materials, which play an important part for sensor and actuator applications. These materials have the potential to transform passive structures into adaptive systems. However, a prerequisite for the design and the optimization of these materials is, that reliable models exist, which incorporate the interaction between the different combinations of thermal, electrical, magnetic, optical and mechanical effects. Polymeric electroelastic materials, so-called electroactive polymer (EAP), own the characteristic to deform if an electric field is applied. EAP's possesses the benefit that they share the characteristic of polymers, these are lightweight, inexpensive, fracture tolerant, elastic, and the chemical and physical structure is well understood. However, the description "electroactive polymer" is a generic term for many kinds of different microscopic mechanisms and polymeric materials. Based on the laws of electromagnetism and elasticity, a visco-electroelastic model is developed and implemented into the finite element method (FEM). The presented three-dimensional solid element has eight nodes and trilinear interpolation functions for the displacement and the electric potential. The continuum mechanics model contains finite deformations, the time dependency and the nearly incompressible behavior of the material. To describe the possible, large time dependent deformations, a finite viscoelastic model with a split of the deformation gradient is used. Thereby the time dependent characteristic of polymeric materials is incorporated through the free energy function. The electromechanical interactions are considered by the electrostatic forces and inside the energy function.

A shock-layer theory based on thirteen-moment equations and DSMC calculations of rarefied hypersonic flows

NASA Technical Reports Server (NTRS)

Cheng, H. K.; Wong, Eric Y.; Dogra, V. K.

1991-01-01

Grad's thirteen-moment equations are applied to the flow behind a bow shock under the formalism of a thin shock layer. Comparison of this version of the theory with Direct Simulation Monte Carlo calculations of flows about a flat plate at finite attack angle has lent support to the approach as a useful extension of the continuum model for studying translational nonequilibrium in the shock layer. This paper reassesses the physical basis and limitations of the development with additional calculations and comparisons. The streamline correlation principle, which allows transformation of the 13-moment based system to one based on the Navier-Stokes equations, is extended to a three-dimensional formulation. The development yields a strip theory for planar lifting surfaces at finite incidences. Examples reveal that the lift-to-drag ratio is little influenced by planform geometry and varies with altitudes according to a 'bridging function' determined by correlated two-dimensional calculations.

A Three-Dimensional Analysis of the Galactic Gamma-Ray Emission Resulting from Cosmic-Ray Interactions with the Interstellar Gas and Radiation Fields

NASA Technical Reports Server (NTRS)

Sodroski, Thomas J.; Dwek, Eli

2000-01-01

The primary task objective is to construct a 3-D model for the distribution of high-energy (20 MeV - 30 GeV) gamma-ray emission in the Galactic disk. Under this task the contractor will utilize data from the EGRET instrument on the Compton Gamma-Ray Observatory, H I and CO surveys, radio-continuum surveys at 408 MHz, 1420 MHz, 5 GHz, and 19 GHz, the COBE Diffuse Infrared Background Experiment (DIRBE) all-sky maps from 1 to 240 microns, and ground-based B, V, J, H, and K photometry. The respective contributions to the gamma-ray emission from cosmic ray/matter interactions, inverse Compton scattering, and extragalactic emission will be determined.

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

Leitherer, Claus; Lee, Janice C.; Hernandez, Svea

We report on the detection of Lyman continuum radiation in two nearby starburst galaxies. Tol 0440-381, Tol 1247-232, and Mrk 54 were observed with the Cosmic Origins Spectrograph on board the Hubble Space Telescope . The three galaxies have radial velocities of ∼13,000 km s{sup −1}, permitting a ∼35 Å window on the restframe Lyman continuum shortward of the Milky Way Lyman edge at 912 Å. The chosen instrument configuration using the G140L grating covers the spectral range from 912 to 2000 Å. We developed a dedicated background subtraction method to account for the temporal and spatial background variations ofmore » the detector, which is crucial at the low flux levels around 912 Å. This modified pipeline allowed us to significantly improve the statistical and systematic detector noise and will be made available to the community. We detect Lyman continuum in all three galaxies. However, we conservatively interpret the emission in Tol 0440-381 as an upper limit due to possible contamination by geocoronal Lyman series lines. We determined the current star formation properties from the far-ultraviolet continuum and spectral lines and used synthesis models to predict the Lyman continuum radiation emitted by the current population of hot stars. We discuss various model uncertainties such as, among others, atmospheres and evolution models. Lyman continuum escape fractions were derived from a comparison between the observed and predicted Lyman continuum fluxes. Tol 1247-232, Mrk 54, and Tol 0440-381 have absolute escape fractions of (4.5 ± 1.2)%, (2.5 ± 0.72)%, and <(7.1 ± 1.1)%, respectively.« less

Gyrokinetic continuum simulation of turbulence in a straight open-field-line plasma

DOE PAGES

Shi, E. L.; Hammett, G. W.; Stoltzfus-Dueck, T.; ...

2017-05-29

Here, five-dimensional gyrokinetic continuum simulations of electrostatic plasma turbulence in a straight, open-field-line geometry have been performed using a full- discontinuous-Galerkin approach implemented in the Gkeyll code. While various simplifications have been used for now, such as long-wavelength approximations in the gyrokinetic Poisson equation and the Hamiltonian, these simulations include the basic elements of a fusion-device scrape-off layer: localised sources to model plasma outflow from the core, cross-field turbulent transport, parallel flow along magnetic field lines, and parallel losses at the limiter or divertor with sheath-model boundary conditions. The set of sheath-model boundary conditions used in the model allows currentsmore » to flow through the walls. In addition to details of the numerical approach, results from numerical simulations of turbulence in the Large Plasma Device, a linear device featuring straight magnetic field lines, are presented.« less

Continuum modeling of neuronal cell under blast loading

PubMed Central

Jérusalem, Antoine; Dao, Ming

2012-01-01

Traumatic brain injuries have recently been put under the spotlight as one of the most important causes of accidental brain dysfunctions. Significant experimental and modeling efforts are thus ongoing to study the associated biological, mechanical and physical mechanisms. In the field of cell mechanics, progresses are also being made at the experimental and modeling levels to better characterize many of the cell functions such as differentiation, growth, migration and death, among others. The work presented here aims at bridging both efforts by proposing a continuum model of neuronal cell submitted to blast loading. In this approach, cytoplasm, nucleus and membrane (plus cortex) are differentiated in a representative cell geometry, and different material constitutive models are adequately chosen for each one. The material parameters are calibrated against published experimental work of cell nanoindentation at multiple rates. The final cell model is ultimately subjected to blast loading within a complete fluid-structure interaction computational framework. The results are compared to the nanoindentation simulation and the specific effects of the blast wave on the pressure and shear levels at the interfaces are identified. As a conclusion, the presented model successfully captures some of the intrinsic intracellular phenomena occurring during its deformation under blast loading and potentially leading to cell damage. It suggests more particularly the localization of damage at the nucleus membrane similarly to what has already been observed at the overall cell membrane. This degree of damage is additionally predicted to be worsened by a longer blast positive phase duration. As a conclusion, the proposed model ultimately provides a new three dimensional computational tool to evaluate intracellular damage during blast loading. PMID:22562014

Incorporating Born solvation energy into the three-dimensional Poisson-Nernst-Planck model to study ion selectivity in KcsA K+ channels

NASA Astrophysics Data System (ADS)

Liu, Xuejiao; Lu, Benzhuo

2017-12-01

Potassium channels are much more permeable to potassium than sodium ions, although potassium ions are larger and both carry the same positive charge. This puzzle cannot be solved based on the traditional Poisson-Nernst-Planck (PNP) theory of electrodiffusion because the PNP model treats all ions as point charges, does not incorporate ion size information, and therefore cannot discriminate potassium from sodium ions. The PNP model can qualitatively capture some macroscopic properties of certain channel systems such as current-voltage characteristics, conductance rectification, and inverse membrane potential. However, the traditional PNP model is a continuum mean-field model and has no or underestimates the discrete ion effects, in particular the ion solvation or self-energy (which can be described by Born model). It is known that the dehydration effect (closely related to ion size) is crucial to selective permeation in potassium channels. Therefore, we incorporated Born solvation energy into the PNP model to account for ion hydration and dehydration effects when passing through inhomogeneous dielectric channel environments. A variational approach was adopted to derive a Born-energy-modified PNP (BPNP) model. The model was applied to study a cylindrical nanopore and a realistic KcsA channel, and three-dimensional finite element simulations were performed. The BPNP model can distinguish different ion species by ion radius and predict selectivity for K+ over Na+ in KcsA channels. Furthermore, ion current rectification in the KcsA channel was observed by both the PNP and BPNP models. The I -V curve of the BPNP model for the KcsA channel indicated an inward rectifier effect for K+ (rectification ratio of ˜3 /2 ) but indicated an outward rectifier effect for Na+ (rectification ratio of ˜1 /6 ) .

Quantifying the effect of hydrogen on dislocation dynamics: A three-dimensional discrete dislocation dynamics framework

NASA Astrophysics Data System (ADS)

Gu, Yejun; El-Awady, Jaafar A.

2018-03-01

We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated with the hydrogen-induced volume change is accounted for. The three-dimensional stress tensor induced by hydrogen concentration, which is in equilibrium with respect to the dislocation stress field, is derived using the Eshelby inclusion model, while the hydrogen bulk diffusion is treated as a continuum process. This newly developed framework is utilized to quantify the effect of different hydrogen concentrations on the dynamics of a glide dislocation in the absence of an applied stress field as well as on the spacing between dislocations in an array of parallel edge dislocations. A shielding effect is observed for materials having a large hydrogen diffusion coefficient, with the shield effect leading to the homogenization of the shrinkage process leading to the glide loop maintaining its circular shape, as well as resulting in a decrease in dislocation separation distances in the array of parallel edge dislocations. On the other hand, for materials having a small hydrogen diffusion coefficient, the high hydrogen concentrations around the edge characters of the dislocations act to pin them. Higher stresses are required to be able to unpin the dislocations from the hydrogen clouds surrounding them. Finally, this new framework can open the door for further large scale studies on the effect of hydrogen on the different aspects of dislocation-mediated plasticity in metals. With minor modifications of the current formulations, the framework can also be extended to account for general inclusion-induced stress field in discrete dislocation dynamics simulations.

Multiscale simulation of DC corona discharge and ozone generation from nanostructures

NASA Astrophysics Data System (ADS)

Wang, Pengxiang

Atmospheric direct current (dc) corona discharge from micro-sized objects has been widely used as an ion source in many devices, such as photocopiers, laser printers, and electronic air cleaners. Shrinking the size of the discharge electrode to the nanometer range (e.g., through the use of carbon nanotubes or CNTs) is expected to lead to a significant reduction in power consumption and detrimental ozone production in these devices. The objectives of this study are to unveil the fundamental physics of the nanoscale corona discharge and to evaluate its performance and ozone production through numerical models. The extremely small size of CNTs presents considerable complexity and challenges in modeling CNT corona discharges. A hybrid multiscale model, which combines a kinetic particle-in-cell plus Monte Carlo collision (PIC-MCC) model and a continuum model, is developed to simulate the corona discharge from nanostructures. The multiscale model is developed in several steps. First, a pure PIC-MCC model is developed and PIC-MCC simulations of corona plasma from micro-sized electrode with same boundary conditions as prior model are performed to validate the PIC-MCC scheme. The agreement between the PIC-MCC model and the prior continuum model indicates the validity of the PIC-MCC scheme. The validated PIC-MCC scheme is then coupled with a continuum model to simulate the corona discharge from a micro-sized electrode. Unlike the prior continuum model which only predicts the corona plasma region, the hybrid model successfully predicts the self-consistent discharge process in the entire corona discharge gap that includes both corona plasma region and unipolar ion region. The voltage-current density curves obtained by the hybrid model agree well with analytical prediction and experimental results. The hybrid modeling approach, which combines the accuracy of a kinetic model and the efficiency of a continuum model, is thus validated for modeling dc corona discharges. For simulation of corona discharges from nanostructures, a one-dimensional (1-D) multiscale model is used due to the prohibitive computational expense associated with two-dimensional (2-D) modeling. Near the nanoscale discharge electrode surface, a kinetic model based on PIC-MCC is used due to a relatively large Knudsen number in this region. Far away from the nanoscale discharge electrode, a continuum model is used since the Knudsen number is very small there. The multiscale modeling results are compared with experimental data. The quantitative agreement in positive discharges and qualitative agreement in negative discharges validate the modeling approach. The mechanism of sustaining the discharge process from nanostructures is revealed and is found to be different from that of discharge from micro- or macro-sized electrodes. Finally, the corona plasma model is combined with a plasma chemistry model and a transport model to predict the ozone production from the nanoscale corona. The dependence of ozone production on the applied potential and air velocity is studied. The electric field distribution in a 2-D multiscale domain (from nanoscale to microscale) is predicted by solving the Poisson's equation using a finite difference scheme. The discretized linear equations are solved using a multigrid method under the framework of PETSc on a paralleled supercomputer. Although the Poisson solver is able to resolve the multiscale field, the prohibitively long computation time limits the use of a 2-D solver in the current PIC-MCC scheme.

Electromagnetic momentum and the energy–momentum tensor in a linear medium with magnetic and dielectric properties

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

Crenshaw, Michael E., E-mail: michael.e.crenshaw4.civ@mail.mil

2014-04-15

In a continuum setting, the energy–momentum tensor embodies the relations between conservation of energy, conservation of linear momentum, and conservation of angular momentum. The well-defined total energy and the well-defined total momentum in a thermodynamically closed system with complete equations of motion are used to construct the total energy–momentum tensor for a stationary simple linear material with both magnetic and dielectric properties illuminated by a quasimonochromatic pulse of light through a gradient-index antireflection coating. The perplexing issues surrounding the Abraham and Minkowski momentums are bypassed by working entirely with conservation principles, the total energy, and the total momentum. We derivemore » electromagnetic continuity equations and equations of motion for the macroscopic fields based on the material four-divergence of the traceless, symmetric total energy–momentum tensor. We identify contradictions between the macroscopic Maxwell equations and the continuum form of the conservation principles. We resolve the contradictions, which are the actual fundamental issues underlying the Abraham–Minkowski controversy, by constructing a unified version of continuum electrodynamics that is based on establishing consistency between the three-dimensional Maxwell equations for macroscopic fields, the electromagnetic continuity equations, the four-divergence of the total energy–momentum tensor, and a four-dimensional tensor formulation of electrodynamics for macroscopic fields in a simple linear medium.« less

Glacier crevasses: Observations, models, and mass balance implications

NASA Astrophysics Data System (ADS)

Colgan, William; Rajaram, Harihar; Abdalati, Waleed; McCutchan, Cheryl; Mottram, Ruth; Moussavi, Mahsa S.; Grigsby, Shane

2016-03-01

We review the findings of approximately 60 years of in situ and remote sensing studies of glacier crevasses, as well as the three broad classes of numerical models now employed to simulate crevasse fracture. The relatively new insight that mixed-mode fracture in local stress equilibrium, rather than downstream advection alone, can introduce nontrivial curvature to crevasse geometry may merit the reinterpretation of some key historical observation studies. In the past three decades, there have been tremendous advances in the spatial resolution of satellite imagery, as well as fully automated algorithms capable of tracking crevasse displacements between repeat images. Despite considerable advances in developing fully transient three-dimensional ice flow models over the past two decades, both the zero stress and linear elastic fracture mechanics crevasse models have remained fundamentally unchanged over this time. In the past decade, however, multidimensional and transient formulations of the continuum damage mechanics approach to simulating ice fracture have emerged. The combination of employing damage mechanics to represent slow upstream deterioration of ice strength and fracture mechanics to represent rapid failure at downstream termini holds promise for implementation in large-scale ice sheet models. Finally, given the broad interest in the sea level rise implications of recent and future cryospheric change, we provide a synthesis of 10 mechanisms by which crevasses can influence glacier mass balance.

Mechanics of low-dimensional carbon nanostructures: Atomistic, continuum, and multi-scale approaches

NASA Astrophysics Data System (ADS)

Mahdavi, Arash

A new multiscale modeling technique called the Consistent Atomic-scale Finite Element (CAFE) method is introduced. Unlike traditional approaches for linking the atomic structure to its equivalent continuum, this method directly connects the atomic degrees of freedom to a reduced set of finite element degrees of freedom without passing through an intermediate homogenized continuum. As a result, there is no need to introduce stress and strain measures at the atomic level. The Tersoff-Brenner interatomic potential is used to calculate the consistent tangent stiffness matrix of the structure. In this finite element formulation, all local and non-local interactions between carbon atoms are taken into account using overlapping finite elements. In addition, a consistent hierarchical finite element modeling technique is developed for adaptively coarsening and refining the mesh over different parts of the model. This process is consistent with the underlying atomic structure and, by refining the mesh to the scale of atomic spacing, molecular dynamic results can be recovered. This method is valid across the scales and can be used to concurrently model atomistic and continuum phenomena so, in contrast with most other multi-scale methods, there is no need to introduce artificial boundaries for coupling atomistic and continuum regions. Effect of the length scale of the nanostructure is also included in the model by building the hierarchy of elements from bottom up using a finite size atom cluster as the building block. To be consistent with the bravais multi-lattice structure of sp2-bonded carbon, two independent displacement fields are used for reducing the order of the model. Sparse structure of the stiffness matrix of these nanostructures is exploited to reduce the memory requirement and to speed up the formation of the system matrices and solution of the equilibrium equations. Applicability of the method is shown with several examples of the nonlinear mechanics of carbon nanotubes and carbon nanocones subject to different loadings and boundary conditions. This finite element technique is also used to study the natural frequencies of low-dimensional carbon nanostructures and comparing the results with those of a homogenized isotropic continuum shell. Conclusion is that, replacing the atomic lattice with an isotropic continuum shell for a graphene sheet does not significantly affect the vibration frequencies while in the case of carbon nanotubes and carbon nanocones there is a significant difference between the natural frequencies of the atomistic model and its continuum counterpart. In the case of the carbon nanotube, continuum model successfully captures the beam bending vibration modes while overestimating frequencies of the modes in which the cross-section undergoes significant deformation. Furthermore, in the case of carbon nanotubes, the continuum shell exhibits a torsional mode which appears to be an artifact resulting from the small nominal thickness typically used in the continuum shell approximation of these nanostructures. Results of this study indicate that isotropic continuum shell models, while simple and useful in static analysis, cannot accurately predict the vibration frequencies of these nanostructures. We have studied the bistable nature of single-walled carbon nanotubes by investigating the change in the tube's energy as it is compressed between flat rigid indenters of various widths. Assuming the nanotube deformed uniformly along its length and modeling the cross-section as an inextensible, non-linear beam we found that tubes with a radius greater than 12 A are bistable and that tubes with a radius greater than 25 A have a lower energy in the collapsed state than in the inflated state. The difference in energy between the collapsed and inflated states decreases nearly linearly with increasing tube radius. While the inflated state remains stable for tubes of all diameters, the energy barrier keeping the tube from collapsing approaches zero as the tube radius increases. We also demonstrate why collapse with a wide indenter may be difficult to observe in narrow tubes. A reduced-order model is developed for the dynamics of the carbon nanotube atomic force microscope probes. Bending behavior of the nanotube probe is modeled using Euler's elastica. A nonlinear moment-curvature relationship is implemeneted to account for the ovalization of the cross section of the nanotube during bending. Van der Waal forces acting between tube and the substrate is integrated over the surface of the tube and used as distributed follower forces acting on the equivalent elastica. Approximating the behavior of the nanotube with an elastica proved to be a very effiecient technique for modeling these nanostructures.

Solution of non-continuum flows using BGK-type model with enforced relaxation of moments

NASA Astrophysics Data System (ADS)

Alekseenko, Alexander; Gimelshein, Sergey; Nguyen, Truong; Vedula, Prakash

2016-11-01

A BGK-type model with velocity dependent collision frequency and enforced relaxation rates for selected moments is applied to simulation of one- and two-dimensional super sonic flows. Relaxation rates of the moments are estimated by evaluating the full Boltzmann collision integral several times during the simulation. The solutions show improvements in velocity and temperature profiles as compared to the classical ES-BGK model. However, enforcement of relaxation rates for high order moments increases stiffness of the model.

A Physiologically Based, Multi-Scale Model of Skeletal Muscle Structure and Function

PubMed Central

Röhrle, O.; Davidson, J. B.; Pullan, A. J.

2012-01-01

Models of skeletal muscle can be classified as phenomenological or biophysical. Phenomenological models predict the muscle’s response to a specified input based on experimental measurements. Prominent phenomenological models are the Hill-type muscle models, which have been incorporated into rigid-body modeling frameworks, and three-dimensional continuum-mechanical models. Biophysically based models attempt to predict the muscle’s response as emerging from the underlying physiology of the system. In this contribution, the conventional biophysically based modeling methodology is extended to include several structural and functional characteristics of skeletal muscle. The result is a physiologically based, multi-scale skeletal muscle finite element model that is capable of representing detailed, geometrical descriptions of skeletal muscle fibers and their grouping. Together with a well-established model of motor-unit recruitment, the electro-physiological behavior of single muscle fibers within motor units is computed and linked to a continuum-mechanical constitutive law. The bridging between the cellular level and the organ level has been achieved via a multi-scale constitutive law and homogenization. The effect of homogenization has been investigated by varying the number of embedded skeletal muscle fibers and/or motor units and computing the resulting exerted muscle forces while applying the same excitatory input. All simulations were conducted using an anatomically realistic finite element model of the tibialis anterior muscle. Given the fact that the underlying electro-physiological cellular muscle model is capable of modeling metabolic fatigue effects such as potassium accumulation in the T-tubular space and inorganic phosphate build-up, the proposed framework provides a novel simulation-based way to investigate muscle behavior ranging from motor-unit recruitment to force generation and fatigue. PMID:22993509

Continuum modeling of twinning, amorphization, and fracture: theory and numerical simulations

NASA Astrophysics Data System (ADS)

Clayton, J. D.; Knap, J.

2018-03-01

A continuum mechanical theory is used to model physical mechanisms of twinning, solid-solid phase transformations, and failure by cavitation and shear fracture. Such a sequence of mechanisms has been observed in atomic simulations and/or experiments on the ceramic boron carbide. In the present modeling approach, geometric quantities such as the metric tensor and connection coefficients can depend on one or more director vectors, also called internal state vectors. After development of the general nonlinear theory, a first problem class considers simple shear deformation of a single crystal of this material. For homogeneous fields or stress-free states, algebraic systems or ordinary differential equations are obtained that can be solved by numerical iteration. Results are in general agreement with atomic simulation, without introduction of fitted parameters. The second class of problems addresses the more complex mechanics of heterogeneous deformation and stress states involved in deformation and failure of polycrystals. Finite element calculations, in which individual grains in a three-dimensional polycrystal are fully resolved, invoke a partially linearized version of the theory. Results provide new insight into effects of crystal morphology, activity or inactivity of different inelasticity mechanisms, and imposed deformation histories on strength and failure of the aggregate under compression and shear. The importance of incorporation of inelastic shear deformation in realistic models of amorphization of boron carbide is noted, as is a greater reduction in overall strength of polycrystals containing one or a few dominant flaws rather than many diffusely distributed microcracks.

The Bound to Bound State Contribution to the Electric Polarizability of a Relativbistic Particle

NASA Astrophysics Data System (ADS)

Vidnovic, Theodore, III; Anis Maize, Mohamed

1998-04-01

We calculate, in our study, the contribution of the transition between bound energy states to the electric polarizability of a relativistic particle. The particle is moving under the influence of a one-dimensional delta potential. Our work is done in the case of the scalar potential. The solution of Dirac's equation and the calculation of the particles total electric polarizability has been done in references (1-3). The transitions contributing to the electric polarizability are: Continuum to continuum, bound to bound, negative energy bound states to continuum, and positive energy bound states to continuum. Our task is to study the bound to bound state contribution to the electric polarizability. We will also investigate the effect of the strength of the potential on the contribution. 1. T.H. Solomon and S. Fallieros, "Relativistic One Dimensional Binding and Two Dimensional Motion." J. Franklin Inst. 320, 323-344 (1985) 2. M.A. Maize and C.A. Burkholder, "Electric Polarizability and the Solution of an Inhomogenous Differential Equation." Am.J.Phys. 63, 244-247 (1995) 3. M.A. Maize, S. Paulson, and A. D'Avanti, "Electric Polarizability of a Relativistic Particle." Am.J.Phys. 65, 888-892 (1997)

Phase Field Model of Hydraulic Fracturing in Poroelastic Media: Fracture Propagation, Arrest, and Branching Under Fluid Injection and Extraction

NASA Astrophysics Data System (ADS)

Santillán, David; Juanes, Ruben; Cueto-Felgueroso, Luis

2018-03-01

The simulation of fluid-driven fracture propagation in a porous medium is a major computational challenge, with applications in geosciences and engineering. The two main families of modeling approaches are those models that represent fractures as explicit discontinuities and solve the moving boundary problem and those that represent fractures as thin damaged zones, solving a continuum problem throughout. The latter family includes the so-called phase field models. Continuum approaches to fracture face validation and verification challenges, in particular grid convergence, well posedness, and physical relevance in practical scenarios. Here we propose a new quasi-static phase field formulation. The approach fully couples fluid flow in the fracture with deformation and flow in the porous medium, discretizes flow in the fracture on a lower-dimension manifold, and employs the fluid flux between the fracture and the porous solid as coupling variable. We present a numerical assessment of the model by studying the propagation of a fracture in the quarter five-spot configuration. We study the interplay between injection flow rate and rock properties and elucidate fracture propagation patterns under the leak-off toughness dominated regime as a function of injection rate, initial fracture length, and poromechanical properties. For the considered injection scenario, we show that the final fracture length depends on the injection rate, and three distinct patterns are observed. We also rationalize the system response using dimensional analysis to collapse the model results. Finally, we propose some simplifications that alleviate the computational cost of the simulations without significant loss of accuracy.

Transport dissipative particle dynamics model for mesoscopic advection- diffusion-reaction problems

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

Zhen, Li; Yazdani, Alireza; Tartakovsky, Alexandre M.

2015-07-07

We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic DPD framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between particles, and an analytical formula is proposed to relate the mesoscopic concentration friction to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPDmore » simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers.« less

Sierra/Solid Mechanics 4.48 User's Guide.

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

Merewether, Mark Thomas; Crane, Nathan K; de Frias, Gabriel Jose

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutionsmore » of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.« less

Numerical simulation of asphalt mixtures fracture using continuum models

NASA Astrophysics Data System (ADS)

Szydłowski, Cezary; Górski, Jarosław; Stienss, Marcin; Smakosz, Łukasz

2018-01-01

The paper considers numerical models of fracture processes of semi-circular asphalt mixture specimens subjected to three-point bending. Parameter calibration of the asphalt mixture constitutive models requires advanced, complex experimental test procedures. The highly non-homogeneous material is numerically modelled by a quasi-continuum model. The computational parameters are averaged data of the components, i.e. asphalt, aggregate and the air voids composing the material. The model directly captures random nature of material parameters and aggregate distribution in specimens. Initial results of the analysis are presented here.

Model development and experimental validation for analyzing initial transients of irradiation of tissues during thermal therapy using short pulse lasers.

PubMed

Ganguly, Mohit; Miller, Stephanie; Mitra, Kunal

2015-11-01

Short pulse lasers with pulse durations in the range of nanoseconds and shorter are effective in the targeted delivery of heat energy for precise tissue heating and ablation. This photothermal therapy is useful where the removal of cancerous tissue sections is required. The objective of this paper is to use finite element modeling to demonstrate the differences in the thermal response of skin tissue to short-pulse and continuous wave laser irradiation in the initial stages of the irradiation. Models have been developed to validate the temperature distribution and heat affected zone during laser irradiation of excised rat skin samples and live anesthetized mouse tissue. Excised rat skin samples and live anesthetized mice were subjected to Nd:YAG pulsed laser (1,064 nm, 500 ns) irradiation of varying powers. A thermal camera was used to measure the rise in surface temperature as a result of the laser irradiation. Histological analyses of the heat affected zone created in the tissue samples due to the temperature rise were performed. The thermal interaction of the laser with the tissue was quantified by measuring the thermal dose delivered by the laser. Finite element geometries of three-dimensional tissue sections for continuum and vascular models were developed using COMSOL Multiphysics. Blood flow was incorporated into the vascular model to mimic the presence of discrete blood vessels and contrasted with the continuum model without blood perfusion. The temperature rises predicted by the continuum and the vascular models agreed with the temperature rises observed at the surface of the excised rat tissue samples and live anesthetized mice due to laser irradiation respectively. The vascular model developed was able to predict the cooling produced by the blood vessels in the region where the vessels were present. The temperature rise in the continuum model due to pulsed laser irradiation was higher than that due to continuous wave (CW) laser irradiation in the initial stages of the irradiation. The temperature rise due to pulsed and CW laser irradiation converged as the time of irradiation increased. A similar trend was observed when comparing the thermal dose for pulsed and CW laser irradiation in the vascular model. Finite element models (continuum and vascular) were developed that can be used to predict temperature rise and quantify the thermal dose resulting from laser irradiation of excised rat skin samples and live anesthetized mouse tissue. The vascular model incorporating blood perfusion effects predicted temperature rise better in the live animal tissue. The models developed demonstrated that pulsed lasers caused greater temperature rise and delivered a greater thermal dose than CW lasers of equal average power, especially during the initial transients of irradiation. This analysis will be beneficial for thermal therapy applications where maximum delivery of thermal dose over a short period of time is important. © 2015 Wiley Periodicals, Inc.

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

Siranosian, Antranik Antonio; Schembri, Philip Edward; Luscher, Darby Jon

The Los Alamos National Laboratory's Weapon Systems Engineering division's Advanced Engineering Analysis group employs material constitutive models of composites for use in simulations of components and assemblies of interest. Experimental characterization, modeling and prediction of the macro-scale (i.e. continuum) behaviors of these composite materials is generally difficult because they exhibit nonlinear behaviors on the meso- (e.g. micro-) and macro-scales. Furthermore, it can be difficult to measure and model the mechanical responses of the individual constituents and constituent interactions in the composites of interest. Current efforts to model such composite materials rely on semi-empirical models in which meso-scale properties are inferredmore » from continuum level testing and modeling. The proposed approach involves removing the difficulties of interrogating and characterizing micro-scale behaviors by scaling-up the problem to work with macro-scale composites, with the intention of developing testing and modeling capabilities that will be applicable to the mesoscale. This approach assumes that the physical mechanisms governing the responses of the composites on the meso-scale are reproducible on the macro-scale. Working on the macro-scale simplifies the quantification of composite constituents and constituent interactions so that efforts can be focused on developing material models and the testing techniques needed for calibration and validation. Other benefits to working with macro-scale composites include the ability to engineer and manufacture—potentially using additive manufacturing techniques—composites that will support the application of advanced measurement techniques such as digital volume correlation and three-dimensional computed tomography imaging, which would aid in observing and quantifying complex behaviors that are exhibited in the macro-scale composites of interest. Ultimately, the goal of this new approach is to develop a meso-scale composite modeling framework, applicable to many composite materials, and the corresponding macroscale testing and test data interrogation techniques to support model calibration.« less

Anisotropic Energy Transport Properties of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB)

NASA Astrophysics Data System (ADS)

Kroonblawd, Matthew P.

Anisotropic energy transport properties were determined theoretically for crystals of the insensitive explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using molecular dynamics simulations. Determination of these properties is necessary for the analysis and interpretation of molecular dynamics predictions of transient processes such as shock response and hot spot formation/relaxation and is similarly important for the accurate parameterization of meso- and continuum-scale engineering models aimed at understanding complex processes such as ignition and growth leading to detonation. TATB crystal exhibits a graphitic-like layered packing structure with a two-dimensional hydrogen-bonding network that forms within, but not between, the molecule-thick layers that comprise the crystal. This structure is thought to be the primary factor behind the significant anisotropy in many physical properties of TATB crystals. Anisotropic thermal conductivity coefficients were determined for initially defect-free and defective TATB crystals and isotropic values were determined for the liquid at temperatures and pressures up to (1800 K, 2.0 GPa). The room temperature, atmospheric pressure thermal conductivity for TATB is predicted to be generally greater and more anisotropic than the thermal conductivities of other molecular explosives; conduction within the layers is approximately 70% greater than conduction between the layers. The conductivity is predicted to decrease with temperature approximately as λ ∝ 1/T over the interval 200 K ≤ T ≤ 700 K and to linearly increase with pressure up to 2.5 GPa. Direction-dependent relaxation of idealized one-dimensional hot spots was studied. Results from hot spot relaxation simulations were compared with and fit to solutions for the one-dimensional diffusive heat equation by treating the thermal di.usivity as a parameter to assess the validity of using continuum models to describe heat transport in TATB on length scales below 10 nm. A dissipative particle dynamics (DPD) at constant energy (DPDE) coarsegrained model is developed for TATB and applied to micron-scale shock simulations wherein the predicted shock response is shown to be highly sensitive to a model parameter controlling kinetics of energy transport between inter- and intramolecular degrees of freedom. A generalized crystal-cutting method is developed that enables facile construction of three-dimensionally periodic simulation cells containing arbitrarily oriented single crystals and crystal-crystal interfaces for materials of arbitrary symmetry class. Strategies for non-uniform sampling of molecular dynamics simulations of transient phenomena are proposed that have the potential to drastically reduce data storage costs.

A three-dimensional transient mixed hybrid finite element model for superabsorbent polymers with strain-dependent permeability.

PubMed

Yu, Cong; Malakpoor, Kamyar; Huyghe, Jacques M

2018-05-16

A hydrogel is a cross-linked polymer network with water as solvent. Industrially widely used superabsorbent polymers (SAP) are partially neutralized sodium polyacrylate hydrogels. The extremely large degree of swelling is one of the most distinctive characteristics of such hydrogels, as the volume increase can be about 30 times its original volume when exposed to physiological solution. The large deformation resulting from the swelling demands careful numerical treatment. In this work, we present a biphasic continuum-level swelling model using the mixed hybrid finite element method (MHFEM) in three dimensions. The hydraulic permeability is highly dependent on the swelling ratio, resulting in values that are orders of magnitude apart from each other. The property of the local mass conservation of MHFEM contributes to a more accurate calculation of the deformation as the permeability across the swelling gel in a transient state is highly non-uniform. We show that the proposed model is able to simulate the free swelling of a random-shaped gel and the squeezing of fluid out of a swollen gel. Finally, we make use of the proposed numerical model to study the onset of surface instability in transient swelling.

Validation of the Continuum of Care Conceptual Model for Athletic Therapy

PubMed Central

Lafave, Mark R.; Butterwick, Dale; Eubank, Breda

2015-01-01

Utilization of conceptual models in field-based emergency care currently borrows from existing standards of medical and paramedical professions. The purpose of this study was to develop and validate a comprehensive conceptual model that could account for injuries ranging from nonurgent to catastrophic events including events that do not follow traditional medical or prehospital care protocols. The conceptual model should represent the continuum of care from the time of initial injury spanning to an athlete's return to participation in their sport. Finally, the conceptual model should accommodate both novices and experts in the AT profession. This paper chronicles the content validation steps of the Continuum of Care Conceptual Model for Athletic Therapy (CCCM-AT). The stages of model development were domain and item generation, content expert validation using a three-stage modified Ebel procedure, and pilot testing. Only the final stage of the modified Ebel procedure reached a priori 80% consensus on three domains of interest: (1) heading descriptors; (2) the order of the model; (3) the conceptual model as a whole. Future research is required to test the use of the CCCM-AT in order to understand its efficacy in teaching and practice within the AT discipline. PMID:26464897

Using Multiscale Modeling to Study Coupled Flow, Transport, Reaction and Biofilm Growth Processes in Porous Media

NASA Astrophysics Data System (ADS)

Valocchi, A. J.; Laleian, A.; Werth, C. J.

2017-12-01

Perturbation of natural subsurface systems by fluid inputs may induce geochemical or microbiological reactions that change porosity and permeability, leading to complex coupled feedbacks between reaction and transport processes. Some examples are precipitation/dissolution processes associated with carbon capture and storage and biofilm growth associated with contaminant transport and remediation. We study biofilm growth due to mixing controlled reaction of multiple substrates. As biofilms grow, pore clogging occurs which alters pore-scale flow paths thus changing the mixing and reaction. These interactions are challenging to quantify using conventional continuum-scale porosity-permeability relations. Pore-scale models can accurately resolve coupled reaction, biofilm growth and transport processes, but modeling at this scale is not feasible for practical applications. There are two approaches to address this challenge. Results from pore-scale models in generic pore structures can be used to develop empirical relations between porosity and continuum-scale parameters, such as permeability and dispersion coefficients. The other approach is to develop a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled by a suitable method that ensures continuity of flux across the interface. Thus, regions of high reactivity where flow alteration occurs are resolved at the pore scale for accuracy while regions of low reactivity are resolved at the continuum scale for efficiency. This approach thus avoids the need for empirical upscaling relations in regions with strong feedbacks between reaction and porosity change. We explore and compare these approaches for several two-dimensional cases.

A preliminary investigation of the growth of an aneurysm with a multiscale monolithic Fluid-Structure interaction solver

NASA Astrophysics Data System (ADS)

Cerroni, D.; Manservisi, S.; Pozzetti, G.

2015-11-01

In this work we investigate the potentialities of multi-scale engineering techniques to approach complex problems related to biomedical and biological fields. In particular we study the interaction between blood and blood vessel focusing on the presence of an aneurysm. The study of each component of the cardiovascular system is very difficult due to the fact that the movement of the fluid and solid is determined by the rest of system through dynamical boundary conditions. The use of multi-scale techniques allows us to investigate the effect of the whole loop on the aneurysm dynamic. A three-dimensional fluid-structure interaction model for the aneurysm is developed and coupled to a mono-dimensional one for the remaining part of the cardiovascular system, where a point zero-dimensional model for the heart is provided. In this manner it is possible to achieve rigorous and quantitative investigations of the cardiovascular disease without loosing the system dynamic. In order to study this biomedical problem we use a monolithic fluid-structure interaction (FSI) model where the fluid and solid equations are solved together. The use of a monolithic solver allows us to handle the convergence issues caused by large deformations. By using this monolithic approach different solid and fluid regions are treated as a single continuum and the interface conditions are automatically taken into account. In this way the iterative process characteristic of the commonly used segregated approach, it is not needed any more.

A Parametric Study of Jet Interactions with Rarefied Flow

NASA Technical Reports Server (NTRS)

Glass, C. E.

2004-01-01

Three-dimensional computational techniques, in particular the uncoupled CFD-DSMC of the present study, are available to be applied to problems such as jet interactions with variable density regions ranging from a continuum jet to a rarefied free stream. When the value of the jet to free stream momentum flux ratio approximately greater than 2000 for a sharp leading edge flat plate forward separation vortices induced by the jet interaction are present near the surface. Also as the free stream number density n (infinity) decreases, the extent and magnitude of normalized pressure increases and moves upstream of the nozzle exit. Thus for the flat plate model the effect of decreasing n (infinity) is to change the sign of the moment caused by the jet interaction on the flat plate surface.

Smoothed-particle hydrodynamics and nonequilibrium molecular dynamics

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

Hoover, W. G.; Hoover, C. G.

1993-08-01

Gingold, Lucy, and Monaghan invented a grid-free version of continuum mechanics ``smoothed-particle hydrodynamics,`` in 1977. It is a likely contributor to ``hybrid`` simulations combining atomistic and continuum simulations. We describe applications of this particle-based continuum technique from the closely-related standpoint of nonequilibrium molecular dynamics. We compare chaotic Lyapunov spectra for atomistic solids and fluids with those which characterize a two-dimensional smoothed-particle fluid system.

Bilinear forms and soliton solutions for a fourth-order variable-coefficient nonlinear Schrödinger equation in an inhomogeneous Heisenberg ferromagnetic spin chain or an alpha helical protein

NASA Astrophysics Data System (ADS)

Yang, Jin-Wei; Gao, Yi-Tian; Wang, Qi-Min; Su, Chuan-Qi; Feng, Yu-Jie; Yu, Xin

2016-01-01

In this paper, a fourth-order variable-coefficient nonlinear Schrödinger equation is studied, which might describe a one-dimensional continuum anisotropic Heisenberg ferromagnetic spin chain with the octuple-dipole interaction or an alpha helical protein with higher-order excitations and interactions under continuum approximation. With the aid of auxiliary function, we derive the bilinear forms and corresponding constraints on the variable coefficients. Via the symbolic computation, we obtain the Lax pair, infinitely many conservation laws, one-, two- and three-soliton solutions. We discuss the influence of the variable coefficients on the solitons. With different choices of the variable coefficients, we obtain the parabolic, cubic, and periodic solitons, respectively. We analyse the head-on and overtaking interactions between/among the two and three solitons. Interactions between a bound state and a single soliton are displayed with different choices of variable coefficients. We also derive the quasi-periodic formulae for the three cases of the bound states.

DSMC Studies of the Richtmyer-Meshkov Instability

NASA Astrophysics Data System (ADS)

Gallis, M. A.; Koehler, T. P.; Torczynski, J. R.

2014-11-01

A new exascale-capable Direct Simulation Monte Carlo (DSMC) code, SPARTA, developed to be highly efficient on massively parallel computers, has extended the applicability of DSMC to challenging, transient three-dimensional problems in the continuum regime. Because DSMC inherently accounts for compressibility, viscosity, and diffusivity, it has the potential to improve the understanding of the mechanisms responsible for hydrodynamic instabilities. Here, the Richtmyer-Meshkov instability at the interface between two gases was studied parametrically using SPARTA. Simulations performed on Sequoia, an IBM Blue Gene/Q supercomputer at Lawrence Livermore National Laboratory, are used to investigate various Atwood numbers (0.33-0.94) and Mach numbers (1.2-12.0) for two-dimensional and three-dimensional perturbations. Comparisons with theoretical predictions demonstrate that DSMC accurately predicts the early-time growth of the instability. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Laser-based volumetric flow visualization by digital color imaging of a spectrally coded volume.

PubMed

McGregor, T J; Spence, D J; Coutts, D W

2008-01-01

We present the framework for volumetric laser-based flow visualization instrumentation using a spectrally coded volume to achieve three-component three-dimensional particle velocimetry. By delivering light from a frequency doubled Nd:YAG laser with an optical fiber, we exploit stimulated Raman scattering within the fiber to generate a continuum spanning the visible spectrum from 500 to 850 nm. We shape and disperse the continuum light to illuminate a measurement volume of 20 x 10 x 4 mm(3), in which light sheets of differing spectral properties overlap to form an unambiguous color variation along the depth direction. Using a digital color camera we obtain images of particle fields in this volume. We extract the full spatial distribution of particles with depth inferred from particle color. This paper provides a proof of principle of this instrument, examining the spatial distribution of a static field and a spray field of water droplets ejected by the nozzle of an airbrush.

Dynamic Modelling for Planar Extensible Continuum Robot Manipulators

DTIC Science & Technology

2006-01-01

5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7... octopus arm [18]. The OCTARM, shown in Figure 1, is a three-section robot with nine degrees of freedom. Aside from two axis bending with constant... octopus arm. However, while allowing extensibility, the model is based on an approximation (by a Þnite number of linear models) to the true continuum

Monolayers of hard rods on planar substrates. II. Growth

NASA Astrophysics Data System (ADS)

Klopotek, M.; Hansen-Goos, H.; Dixit, M.; Schilling, T.; Schreiber, F.; Oettel, M.

2017-02-01

Growth of hard-rod monolayers via deposition is studied in a lattice model using rods with discrete orientations and in a continuum model with hard spherocylinders. The lattice model is treated with kinetic Monte Carlo simulations and dynamic density functional theory while the continuum model is studied by dynamic Monte Carlo simulations equivalent to diffusive dynamics. The evolution of nematic order (excess of upright particles, "standing-up" transition) is an entropic effect and is mainly governed by the equilibrium solution, rendering a continuous transition [Paper I, M. Oettel et al., J. Chem. Phys. 145, 074902 (2016)]. Strong non-equilibrium effects (e.g., a noticeable dependence on the ratio of rates for translational and rotational moves) are found for attractive substrate potentials favoring lying rods. Results from the lattice and the continuum models agree qualitatively if the relevant characteristic times for diffusion, relaxation of nematic order, and deposition are matched properly. Applicability of these monolayer results to multilayer growth is discussed for a continuum-model realization in three dimensions where spherocylinders are deposited continuously onto a substrate via diffusion.

Kinematics optimization and static analysis of a modular continuum robot used for minimally invasive surgery.

PubMed

Qi, Fei; Ju, Feng; Bai, Dong Ming; Chen, Bai

2018-02-01

For the outstanding compliance and dexterity of continuum robot, it is increasingly used in minimally invasive surgery. The wide workspace, high dexterity and strong payload capacity are essential to the continuum robot. In this article, we investigate the workspace of a cable-driven continuum robot that we proposed. The influence of section number on the workspace is discussed when robot is operated in narrow environment. Meanwhile, the structural parameters of this continuum robot are optimized to achieve better kinematic performance. Moreover, an indicator based on the dexterous solid angle for evaluating the dexterity of robot is introduced and the distal end dexterity is compared for the three-section continuum robot with different range of variables. Results imply that the wider range of variables achieve the better dexterity. Finally, the static model of robot based on the principle of virtual work is derived to analyze the relationship between the bending shape deformation and the driven force. The simulations and experiments for plane and spatial motions are conducted to validate the feasibility of model, respectively. Results of this article can contribute to the real-time control and movement and can be a design reference for cable-driven continuum robot.

Damage Initiation in Two-Dimensional, Woven, Carbon-Carbon Composites

DTIC Science & Technology

1988-12-01

biaxial stress interaction were themselves a function of the applied biaxial stress ratio and thus the error in measuring F12 depended on F12. To find the...the supported directions. Discretizing the model will tend to induce error in the computed nodal displacements when compared to an exact continuum...solution, however, for an increasing number of elements in the structural model, the net error should converge to zero (3:94). The inherent flexibility in

Comprehensive modeling of a liquid rocket combustion chamber

NASA Technical Reports Server (NTRS)

Liang, P.-Y.; Fisher, S.; Chang, Y. M.

1985-01-01

An analytical model for the simulation of detailed three-phase combustion flows inside a liquid rocket combustion chamber is presented. The three phases involved are: a multispecies gaseous phase, an incompressible liquid phase, and a particulate droplet phase. The gas and liquid phases are continuum described in an Eulerian fashion. A two-phase solution capability for these continuum media is obtained through a marriage of the Implicit Continuous Eulerian (ICE) technique and the fractional Volume of Fluid (VOF) free surface description method. On the other hand, the particulate phase is given a discrete treatment and described in a Lagrangian fashion. All three phases are hence treated rigorously. Semi-empirical physical models are used to describe all interphase coupling terms as well as the chemistry among gaseous components. Sample calculations using the model are given. The results show promising application to truly comprehensive modeling of complex liquid-fueled engine systems.

Controlling Directionality and Dimensionality of Radiation by Perturbing Separable Bound States in the Continuum

DOE PAGES

Rivera, Nicholas; Hsu, Chia Wei; Zhen, Bo; ...

2016-09-19

Here, a bound state in the continuum (BIC) is an unusual localized state that is embedded in a continuum of extended states. Here, we present the general condition for BICs to arise from wave equation separability. Then we show that by exploiting perturbations of certain symmetry such BICs can be turned into resonances that radiate with a tailorable directionality and dimensionality. Using this general framework, we construct new examples of separable BICs and resonances that can exist in optical potentials for ultracold atoms, photonic systems, and systems described by tight binding. Such resonances with easily reconfigurable radiation allow for applicationsmore » such as the storage and release of waves at a controllable rate and direction, as well systems that switch between different dimensions of confinement.« less

APPARENT CROSS-FIELD SUPERSLOW PROPAGATION OF MAGNETOHYDRODYNAMIC WAVES IN SOLAR PLASMAS

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

Kaneko, T.; Yokoyama, T.; Goossens, M.

2015-10-20

In this paper we show that the phase-mixing of continuum Alfvén waves and/or continuum slow waves in the magnetic structures of the solar atmosphere as, e.g., coronal arcades, can create the illusion of wave propagation across the magnetic field. This phenomenon could be erroneously interpreted as fast magnetosonic waves. The cross-field propagation due to the phase-mixing of continuum waves is apparent because there is no real propagation of energy across the magnetic surfaces. We investigate the continuous Alfvén and slow spectra in two-dimensional (2D) Cartesian equilibrium models with a purely poloidal magnetic field. We show that apparent superslow propagation acrossmore » the magnetic surfaces in solar coronal structures is a consequence of the existence of continuum Alfvén waves and continuum slow waves that naturally live on those structures and phase-mix as time evolves. The apparent cross-field phase velocity is related to the spatial variation of the local Alfvén/slow frequency across the magnetic surfaces and is slower than the Alfvén/sound velocities for typical coronal conditions. Understanding the nature of the apparent cross-field propagation is important for the correct analysis of numerical simulations and the correct interpretation of observations.« less

Assessment of current state of the art in modeling techniques and analysis methods for large space structures

NASA Technical Reports Server (NTRS)

Noor, A. K.

1983-01-01

Advances in continuum modeling, progress in reduction methods, and analysis and modeling needs for large space structures are covered with specific attention given to repetitive lattice trusses. As far as continuum modeling is concerned, an effective and verified analysis capability exists for linear thermoelastic stress, birfurcation buckling, and free vibration problems of repetitive lattices. However, application of continuum modeling to nonlinear analysis needs more development. Reduction methods are very effective for bifurcation buckling and static (steady-state) nonlinear analysis. However, more work is needed to realize their full potential for nonlinear dynamic and time-dependent problems. As far as analysis and modeling needs are concerned, three areas are identified: loads determination, modeling and nonclassical behavior characteristics, and computational algorithms. The impact of new advances in computer hardware, software, integrated analysis, CAD/CAM stems, and materials technology is also discussed.

Modeling of thin-walled structures interacting with acoustic media as constrained two-dimensional continua

NASA Astrophysics Data System (ADS)

Rabinskiy, L. N.; Zhavoronok, S. I.

2018-04-01

The transient interaction of acoustic media and elastic shells is considered on the basis of the transition function approach. The three-dimensional hyperbolic initial boundary-value problem is reduced to a two-dimensional problem of shell theory with integral operators approximating the acoustic medium effect on the shell dynamics. The kernels of these integral operators are determined by the elementary solution of the problem of acoustic waves diffraction at a rigid obstacle with the same boundary shape as the wetted shell surface. The closed-form elementary solution for arbitrary convex obstacles can be obtained at the initial interaction stages on the background of the so-called “thin layer hypothesis”. Thus, the shell–wave interaction model defined by integro-differential dynamic equations with analytically determined kernels of integral operators becomes hence two-dimensional but nonlocal in time. On the other hand, the initial interaction stage results in localized dynamic loadings and consequently in complex strain and stress states that require higher-order shell theories. Here the modified theory of I.N.Vekua–A.A.Amosov-type is formulated in terms of analytical continuum dynamics. The shell model is constructed on a two-dimensional manifold within a set of field variables, Lagrangian density, and constraint equations following from the boundary conditions “shifted” from the shell faces to its base surface. Such an approach allows one to construct consistent low-order shell models within a unified formal hierarchy. The equations of the N th-order shell theory are singularly perturbed and contain second-order partial derivatives with respect to time and surface coordinates whereas the numerical integration of systems of first-order equations is more efficient. Such systems can be obtained as Hamilton–de Donder–Weyl-type equations for the Lagrangian dynamical system. The Hamiltonian formulation of the elementary N th-order shell theory is here briefly described.

The numerical high cycle fatigue damage model of fillet weld joint under weld-induced residual stresses

NASA Astrophysics Data System (ADS)

Nguyen Van Do, Vuong

2018-04-01

In this study, a development of nonlinear continuum damage mechanics (CDM) model for multiaxial high cycle fatigue is proposed in which the cyclic plasticity constitutive model has been incorporated in the finite element (FE) framework. T-joint FE simulation of fillet welding is implemented to characterize sequentially coupled three-dimensional (3-D) of thermo-mechanical FE formulation and simulate the welding residual stresses. The high cycle fatigue damage model is then taken account into the fillet weld joints under the various cyclic fatigue load types to calculate the fatigue life considering the residual stresses. The fatigue crack initiation and the propagation in the present model estimated for the total fatigue is compared with the experimental results. The FE results illustrated that the proposed high cycle fatigue damage model in this study could become a powerful tool to effectively predict the fatigue life of the welds. Parametric studies in this work are also demonstrated that the welding residual stresses cannot be ignored in the computation of the fatigue life of welded structures.

Finite size effects in the thermodynamics of a free neutral scalar field

NASA Astrophysics Data System (ADS)

Parvan, A. S.

2018-04-01

The exact analytical lattice results for the partition function of the free neutral scalar field in one spatial dimension in both the configuration and the momentum space were obtained in the framework of the path integral method. The symmetric square matrices of the bilinear forms on the vector space of fields in both configuration space and momentum space were found explicitly. The exact lattice results for the partition function were generalized to the three-dimensional spatial momentum space and the main thermodynamic quantities were derived both on the lattice and in the continuum limit. The thermodynamic properties and the finite volume corrections to the thermodynamic quantities of the free real scalar field were studied. We found that on the finite lattice the exact lattice results for the free massive neutral scalar field agree with the continuum limit only in the region of small values of temperature and volume. However, at these temperatures and volumes the continuum physical quantities for both massive and massless scalar field deviate essentially from their thermodynamic limit values and recover them only at high temperatures or/and large volumes in the thermodynamic limit.

MaMiCo: Software design for parallel molecular-continuum flow simulations

NASA Astrophysics Data System (ADS)

Neumann, Philipp; Flohr, Hanno; Arora, Rahul; Jarmatz, Piet; Tchipev, Nikola; Bungartz, Hans-Joachim

2016-03-01

The macro-micro-coupling tool (MaMiCo) was developed to ease the development of and modularize molecular-continuum simulations, retaining sequential and parallel performance. We demonstrate the functionality and performance of MaMiCo by coupling the spatially adaptive Lattice Boltzmann framework waLBerla with four molecular dynamics (MD) codes: the light-weight Lennard-Jones-based implementation SimpleMD, the node-level optimized software ls1 mardyn, and the community codes ESPResSo and LAMMPS. We detail interface implementations to connect each solver with MaMiCo. The coupling for each waLBerla-MD setup is validated in three-dimensional channel flow simulations which are solved by means of a state-based coupling method. We provide sequential and strong scaling measurements for the four molecular-continuum simulations. The overhead of MaMiCo is found to come at 10%-20% of the total (MD) runtime. The measurements further show that scalability of the hybrid simulations is reached on up to 500 Intel SandyBridge, and more than 1000 AMD Bulldozer compute cores.

Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface

NASA Astrophysics Data System (ADS)

Coons, Marc P.; Herbert, John M.

2018-06-01

Widely used continuum solvation models for electronic structure calculations, including popular polarizable continuum models (PCMs), usually assume that the continuum environment is isotropic and characterized by a scalar dielectric constant, ɛ. This assumption is invalid at a liquid/vapor interface or any other anisotropic solvation environment. To address such scenarios, we introduce a more general formalism based on solution of Poisson's equation for a spatially varying dielectric function, ɛ(r). Inspired by nonequilibrium versions of PCMs, we develop a similar formalism within the context of Poisson's equation that includes the out-of-equilibrium dielectric response that accompanies a sudden change in the electron density of the solute, such as that which occurs in a vertical ionization process. A multigrid solver for Poisson's equation is developed to accommodate the large spatial grids necessary to discretize the three-dimensional electron density. We apply this methodology to compute vertical ionization energies (VIEs) of various solutes at the air/water interface and compare them to VIEs computed in bulk water, finding only very small differences between the two environments. VIEs computed using approximately two solvation shells of explicit water molecules are in excellent agreement with experiment for F-(aq), Cl-(aq), neat liquid water, and the hydrated electron, although errors for Li+(aq) and Na+(aq) are somewhat larger. Nonequilibrium corrections modify VIEs by up to 1.2 eV, relative to models based only on the static dielectric constant, and are therefore essential to obtain agreement with experiment. Given that the experiments (liquid microjet photoelectron spectroscopy) may be more sensitive to solutes situated at the air/water interface as compared to those in bulk water, our calculations provide some confidence that these experiments can indeed be interpreted as measurements of VIEs in bulk water.

Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface.

PubMed

Coons, Marc P; Herbert, John M

2018-06-14

Widely used continuum solvation models for electronic structure calculations, including popular polarizable continuum models (PCMs), usually assume that the continuum environment is isotropic and characterized by a scalar dielectric constant, ε. This assumption is invalid at a liquid/vapor interface or any other anisotropic solvation environment. To address such scenarios, we introduce a more general formalism based on solution of Poisson's equation for a spatially varying dielectric function, ε(r). Inspired by nonequilibrium versions of PCMs, we develop a similar formalism within the context of Poisson's equation that includes the out-of-equilibrium dielectric response that accompanies a sudden change in the electron density of the solute, such as that which occurs in a vertical ionization process. A multigrid solver for Poisson's equation is developed to accommodate the large spatial grids necessary to discretize the three-dimensional electron density. We apply this methodology to compute vertical ionization energies (VIEs) of various solutes at the air/water interface and compare them to VIEs computed in bulk water, finding only very small differences between the two environments. VIEs computed using approximately two solvation shells of explicit water molecules are in excellent agreement with experiment for F - (aq), Cl - (aq), neat liquid water, and the hydrated electron, although errors for Li + (aq) and Na + (aq) are somewhat larger. Nonequilibrium corrections modify VIEs by up to 1.2 eV, relative to models based only on the static dielectric constant, and are therefore essential to obtain agreement with experiment. Given that the experiments (liquid microjet photoelectron spectroscopy) may be more sensitive to solutes situated at the air/water interface as compared to those in bulk water, our calculations provide some confidence that these experiments can indeed be interpreted as measurements of VIEs in bulk water.

New Physics Beyond the Standard Model

NASA Astrophysics Data System (ADS)

Cai, Haiying

In this thesis we discuss several extensons of the standard model, with an emphasis on the hierarchy problem. The hierachy problem related to the Higgs boson mass is a strong indication of new physics beyond the Standard Model. In the literature, several mechanisms, e.g. , supersymmetry (SUSY), the little Higgs and extra dimensions, are proposed to explain why the Higgs mass can be stabilized to the electroweak scale. In the Standard Model, the largest quadratically divergent contribution to the Higgs mass-squared comes from the top quark loop. We consider a few novel possibilities on how this contribution is cancelled. In the standard SUSY scenario, the quadratic divergence from the fermion loops is cancelled by the scalar superpartners and the SUSY breaking scale determines the masses of the scalars. We propose a new SUSY model, where the superpartner of the top quark is spin-1 rather than spin-0. In little Higgs theories, the Higgs field is realized as a psudo goldstone boson in a nonlinear sigma model. The smallness of its mass is protected by the global symmetry. As a variation, we put the little Higgs into an extra dimensional model where the quadratically divergent top loop contribution to the Higgs mass is cancelled by an uncolored heavy "top quirk" charged under a different SU(3) gauge group. Finally, we consider a supersymmetric warped extra dimensional model where the superpartners have continuum mass spectra. We use the holographic boundary action to study how a mass gap can arise to separate the zero modes from continuum modes. Such extensions of the Standard Model have novel signatures at the Large Hadron Collider.

Assessment and Therapeutic Application of the Expressive Therapies Continuum: Implications for Brain Structures and Functions

ERIC Educational Resources Information Center

Lusebrink, Vija B.

2010-01-01

The Expressive Therapies Continuum (ETC) provides a theoretical model for art-based assessments and applications of media in art therapy. The three levels of the ETC (Kinesthetic/Sensory, Perceptual/Affective, and Cognitive/Symbolic) appear to reflect different functions and structures in the brain that process visual and affective information.…

The Effect of Structural Curvings on the Stress Distribution in a Rigidly Fixed Composite Plate under Forced Vibration

NASA Astrophysics Data System (ADS)

Zamanov, A. D.

2002-01-01

Based on the exact three-dimensional equations of continuum mechanics and the Akbarov-Guz' continuum theory, the problem on forced vibrations of a rectangular plate made of a composite material with a periodically curved structure is formulated. The plate is rigidly fixed along the Ox 1 axis. Using the semi-analytic method of finite elements, a numerical procedure is elaborated for investigating this problem. The numerical results on the effect of structural curvings on the stress distribution in the plate under forced vibrations are analyzed. It is shown that the disturbances of the stress σ22 in a hinge-supported plate are greater than in a rigidly fixed one. Also, it is found that the structural curvings considerably affect the stress distribution in plates both under static and dynamic loading.

SPECTRAL LINE DE-CONFUSION IN AN INTENSITY MAPPING SURVEY

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

Cheng, Yun-Ting; Bock, James; Bradford, C. Matt

2016-12-01

Spectral line intensity mapping (LIM) has been proposed as a promising tool to efficiently probe the cosmic reionization and the large-scale structure. Without detecting individual sources, LIM makes use of all available photons and measures the integrated light in the source confusion limit to efficiently map the three-dimensional matter distribution on large scales as traced by a given emission line. One particular challenge is the separation of desired signals from astrophysical continuum foregrounds and line interlopers. Here we present a technique to extract large-scale structure information traced by emission lines from different redshifts, embedded in a three-dimensional intensity mapping data cube.more » The line redshifts are distinguished by the anisotropic shape of the power spectra when projected onto a common coordinate frame. We consider the case where high-redshift [C ii] lines are confused with multiple low-redshift CO rotational lines. We present a semi-analytic model for [C ii] and CO line estimates based on the cosmic infrared background measurements, and show that with a modest instrumental noise level and survey geometry, the large-scale [C ii] and CO power spectrum amplitudes can be successfully extracted from a confusion-limited data set, without external information. We discuss the implications and limits of this technique for possible LIM experiments.« less

Field investigation into unsaturated flow and transport in a fault: Model analyses

USGS Publications Warehouse

Liu, H.-H.; Salve, R.; Wang, J.-S.; Bodvarsson, G.S.; Hudson, D.

2004-01-01

Results of a fault test performed in the unsaturated zone of Yucca Mountain, Nevada, were analyzed using a three-dimensional numerical model. The fault was explicitly represented as a discrete feature and the surrounding rock was treated as a dual-continuum (fracture-matrix) system. Model calibration against seepage and water-travel-velocity data suggests that lithophysal cavities connected to fractures can considerably enhance the effective fracture porosity and therefore retard water flow in fractures. Comparisons between simulation results and tracer concentration data also indicate that matrix diffusion is an important mechanism for solute transport in unsaturated fractured rock. We found that an increased fault-matrix and fracture-matrix interface areas were needed to match the observed tracer data, which is consistent with previous studies. The study results suggest that the current site-scale model for the unsaturated zone of Yucca Mountain may underestimate radionuclide transport time within the unsaturated zone, because an increased fracture-matrix interface area and the increased effective fracture porosity arising from lithophysal cavities are not considered in the current site-scale model. ?? 2004 Published by Elsevier B.V.

The effect of spontaneous curvature on a two-phase vesicle

PubMed Central

Cox, Geoffrey; Lowengrub, John

2015-01-01

Vesicles are membrane-bound structures commonly known for their roles in cellular transport and the shape of a vesicle is determined by its surrounding membrane (lipid bilayer). When the membrane is composed of different lipids, it is natural for the lipids of similar molecular structure to migrate towards one another (via spinodal decomposition), creating a multi-phase vesicle. In this article, we consider a two-phase vesicle model which is driven by nature’s propensity to maintain a minimal state of elastic energy. The model assumes a continuum limit, thereby treating the membrane as a closed three-dimensional surface. The main purpose of this study is to reveal the complexity of the Helfrich two-phase vesicle model with non-zero spontaneous curvature and provide further evidence to support the relevance of spontaneous curvature as a modelling parameter. In this paper, we illustrate the complexity of the Helfrich two-phase model by providing multiple examples of undocumented solutions and energy hysteresis. We also investigate the influence of spontaneous curvature on morphological effects and membrane phenomena such as budding and fusion. PMID:26097287

Modeling Three-Dimensional Flow in Confined Aquifers by Superposition of Both Two- and Three-Dimensional Analytic Functions

NASA Astrophysics Data System (ADS)

Haitjema, Henk M.

1985-10-01

A technique is presented to incorporate three-dimensional flow in a Dupuit-Forchheimer model. The method is based on superposition of approximate analytic solutions to both two- and three-dimensional flow features in a confined aquifer of infinite extent. Three-dimensional solutions are used in the domain of interest, while farfield conditions are represented by two-dimensional solutions. Approximate three- dimensional solutions have been derived for a partially penetrating well and a shallow creek. Each of these solutions satisfies the condition that no flow occurs across the confining layers of the aquifer. Because of this condition, the flow at some distance of a three-dimensional feature becomes nearly horizontal. Consequently, remotely from a three-dimensional feature, its three-dimensional solution is replaced by a corresponding two-dimensional one. The latter solution is trivial as compared to its three-dimensional counterpart, and its use greatly enhances the computational efficiency of the model. As an example, the flow is modeled between a partially penetrating well and a shallow creek that occur in a regional aquifer system.

Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems

PubMed Central

Yazdani, Alireza; Tartakovsky, Alexandre; Karniadakis, George Em

2015-01-01

We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic dissipative particle dynamics (DPD) framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between tDPD particles, and the advection is implicitly considered by the movements of these Lagrangian particles. An analytical formula is proposed to relate the tDPD parameters to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPD simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the conventional DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers. PMID:26156459

Wake Closure Characteristics and Afterbody Heating on a Mars Sample Return Orbiter

NASA Technical Reports Server (NTRS)

Horvath, Thomas J.; Cheatwood, McNeil F.; Wilmoth, Richard G.; Alter, Stephen J.

2002-01-01

Aeroheating wind-tunnel tests were conducted on a 0.028 scale model of an orbiter concept considered for a possible Mars sample return mission. The primary experimental objectives were to characterize hypersonic near wake closure and determine if shear layer impingement would occur on the proposed orbiter afterbody at incidence angles necessary for a Martian aerocapture maneuver. Global heat transfer mappings, surface streamline patterns, and shock shapes were obtained in the NASA Langley 20-Inch Mach 6 Air and CF4 Tunnels for post-normal shock Reynolds numbers (based on forebody diameter) ranging from 1,400 to 415,000, angles of attack ranging from -5 to 10 degrees at 0, 3, and 6 degree sideslip, and normal-shock density ratios of 5 and 12. Laminar, transitional, and turbulent shear layer impingement on the cylindrical afterbody was inferred from the measurements and resulted in a localized heating maximum that ranged from 40 to 75 percent of the reference forebody stagnation point heating. Comparison of laminar heating prediction to experimental measurement along the orbiter afterbody highlight grid alignment challenges associated with numerical simulation of three- dimensional separated wake flows. Predicted values of a continuum breakdown parameter revealed significant regions of non-continuum flow downstream of the flow separation at the MSRO shoulder and in the region of the reattachment shock on the afterbody. The presence of these regions suggest that the Navier-Stokes predictions at the laminar wind-tunnel condition may encounter errors in the numerical calculation of the wake shear layer development and impingement due to non-continuum effects.

Cellular automatons applied to gas dynamic problems

NASA Technical Reports Server (NTRS)

Long, Lyle N.; Coopersmith, Robert M.; Mclachlan, B. G.

1987-01-01

This paper compares the results of a relatively new computational fluid dynamics method, cellular automatons, with experimental data and analytical results. This technique has been shown to qualitatively predict fluidlike behavior; however, there have been few published comparisons with experiment or other theories. Comparisons are made for a one-dimensional supersonic piston problem, Stokes first problem, and the flow past a normal flat plate. These comparisons are used to assess the ability of the method to accurately model fluid dynamic behavior and to point out its limitations. Reasonable results were obtained for all three test cases, but the fundamental limitations of cellular automatons are numerous. It may be misleading, at this time, to say that cellular automatons are a computationally efficient technique. Other methods, based on continuum or kinetic theory, would also be very efficient if as little of the physics were included.

Disk Emission from Magnetohydrodynamic Simulations of Spinning Black Holes

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy D.; Krolik, Julian H.; Noble, Scott C.

2016-01-01

We present the results of a new series of global, three-dimensional, relativistic magnetohydrodynamic (MHD) simulations of thin accretion disks around spinning black holes. The disks have aspect ratios of H/R approx. 0.05 and spin parameters of a/M = 0, 0.5, 0.9, and 0.99. Using the ray-tracing code Pandurata, we generate broadband thermal spectra and polarization signatures from the MHD simulations. We find that the simulated spectra can be well fit with a simple, universal emissivity profile that better reproduces the behavior of the emission from the inner disk, compared to traditional analyses carried out using a Novikov-Thorne thin disk model. Finally, we show how spectropolarization observations can be used to convincingly break the spin-inclination degeneracy well known to the continuum-fitting method of measuring black hole spin.

Two- and three-cluster decays of light nuclei within a hyperspherical harmonics approach

NASA Astrophysics Data System (ADS)

Vasilevsky, V. S.; Lashko, Yu. A.; Filippov, G. F.

2018-06-01

We consider a set of three-cluster systems (4He, 7Li, 7Be, 8Be, 10Be) within a microscopic model which involves hyperspherical harmonics to represent intercluster motion. We selected three-cluster systems which have at least one binary channel. Our aim is to study whether hyperspherical harmonics are able, and under what conditions, to describe two-body channel(s) (nondemocratic motion) or if they are suitable for describing the three-cluster continuum only (democratic motion). It is demonstrated that a rather restricted number of hyperspherical harmonics allows us to describe bound states and scattering states in the two-body continuum for a three-cluster system.

Computation of three-dimensional nozzle-exhaust flow fields with the GIM code

NASA Technical Reports Server (NTRS)

Spradley, L. W.; Anderson, P. G.

1978-01-01

A methodology is introduced for constructing numerical analogs of the partial differential equations of continuum mechanics. A general formulation is provided which permits classical finite element and many of the finite difference methods to be derived directly. The approach, termed the General Interpolants Method (GIM), can combined the best features of finite element and finite difference methods. A quasi-variational procedure is used to formulate the element equations, to introduce boundary conditions into the method and to provide a natural assembly sequence. A derivation is given in terms of general interpolation functions from this procedure. Example computations for transonic and supersonic flows in two and three dimensions are given to illustrate the utility of GIM. A three-dimensional nozzle-exhaust flow field is solved including interaction with the freestream and a coupled treatment of the shear layer. Potential applications of the GIM code to a variety of computational fluid dynamics problems is then discussed in terms of existing capability or by extension of the methodology.

Forms of null Lagrangians in field theories of continuum mechanics

NASA Astrophysics Data System (ADS)

Kovalev, V. A.; Radaev, Yu. N.

2012-02-01

The divergence representation of a null Lagrangian that is regular in a star-shaped domain is used to obtain its general expression containing field gradients of order ≤ 1 in the case of spacetime of arbitrary dimension. It is shown that for a static three-component field in the three-dimensional space, a null Lagrangian can contain up to 15 independent elements in total. The general form of a null Lagrangian in the four-dimensional Minkowski spacetime is obtained (the number of physical field variables is assumed arbitrary). A complete theory of the null Lagrangian for the n-dimensional spacetime manifold (including the four-dimensional Minkowski spacetime as a special case) is given. Null Lagrangians are then used as a basis for solving an important variational problem of an integrating factor. This problem involves searching for factors that depend on the spacetime variables, field variables, and their gradients and, for a given system of partial differential equations, ensure the equality between the scalar product of a vector multiplier by the system vector and some divergence expression for arbitrary field variables and, hence, allow one to formulate a divergence conservation law on solutions to the system.

Controlling flexible structures with second order actuator dynamics

NASA Technical Reports Server (NTRS)

Inman, Daniel J.; Umland, Jeffrey W.; Bellos, John

1989-01-01

The control of flexible structures for those systems with actuators that are modeled by second order dynamics is examined. Two modeling approaches are investigated. First a stability and performance analysis is performed using a low order finite dimensional model of the structure. Secondly, a continuum model of the flexible structure to be controlled, coupled with lumped parameter second order dynamic models of the actuators performing the control is used. This model is appropriate in the modeling of the control of a flexible panel by proof-mass actuators as well as other beam, plate and shell like structural numbers. The model is verified with experimental measurements.

System for generating two-dimensional masks from a three-dimensional model using topological analysis

DOEpatents

Schiek, Richard [Albuquerque, NM

2006-06-20

A method of generating two-dimensional masks from a three-dimensional model comprises providing a three-dimensional model representing a micro-electro-mechanical structure for manufacture and a description of process mask requirements, reducing the three-dimensional model to a topological description of unique cross sections, and selecting candidate masks from the unique cross sections and the cross section topology. The method further can comprise reconciling the candidate masks based on the process mask requirements description to produce two-dimensional process masks.

Homogenized boundary conditions and resonance effects in Faraday cages

PubMed Central

Hewitt, I. J.

2016-01-01

We present a mathematical study of two-dimensional electrostatic and electromagnetic shielding by a cage of conducting wires (the so-called ‘Faraday cage effect’). Taking the limit as the number of wires in the cage tends to infinity, we use the asymptotic method of multiple scales to derive continuum models for the shielding, involving homogenized boundary conditions on an effective cage boundary. We show how the resulting models depend on key cage parameters such as the size and shape of the wires, and, in the electromagnetic case, on the frequency and polarization of the incident field. In the electromagnetic case, there are resonance effects, whereby at frequencies close to the natural frequencies of the equivalent solid shell, the presence of the cage actually amplifies the incident field, rather than shielding it. By appropriately modifying the continuum model, we calculate the modified resonant frequencies, and their associated peak amplitudes. We discuss applications to radiation containment in microwave ovens and acoustic scattering by perforated shells. PMID:27279775

Homogenized boundary conditions and resonance effects in Faraday cages

NASA Astrophysics Data System (ADS)

Hewett, D. P.; Hewitt, I. J.

2016-05-01

We present a mathematical study of two-dimensional electrostatic and electromagnetic shielding by a cage of conducting wires (the so-called `Faraday cage effect'). Taking the limit as the number of wires in the cage tends to infinity, we use the asymptotic method of multiple scales to derive continuum models for the shielding, involving homogenized boundary conditions on an effective cage boundary. We show how the resulting models depend on key cage parameters such as the size and shape of the wires, and, in the electromagnetic case, on the frequency and polarization of the incident field. In the electromagnetic case, there are resonance effects, whereby at frequencies close to the natural frequencies of the equivalent solid shell, the presence of the cage actually amplifies the incident field, rather than shielding it. By appropriately modifying the continuum model, we calculate the modified resonant frequencies, and their associated peak amplitudes. We discuss applications to radiation containment in microwave ovens and acoustic scattering by perforated shells.

Homogenized boundary conditions and resonance effects in Faraday cages.

PubMed

Hewett, D P; Hewitt, I J

2016-05-01

We present a mathematical study of two-dimensional electrostatic and electromagnetic shielding by a cage of conducting wires (the so-called 'Faraday cage effect'). Taking the limit as the number of wires in the cage tends to infinity, we use the asymptotic method of multiple scales to derive continuum models for the shielding, involving homogenized boundary conditions on an effective cage boundary. We show how the resulting models depend on key cage parameters such as the size and shape of the wires, and, in the electromagnetic case, on the frequency and polarization of the incident field. In the electromagnetic case, there are resonance effects, whereby at frequencies close to the natural frequencies of the equivalent solid shell, the presence of the cage actually amplifies the incident field, rather than shielding it. By appropriately modifying the continuum model, we calculate the modified resonant frequencies, and their associated peak amplitudes. We discuss applications to radiation containment in microwave ovens and acoustic scattering by perforated shells.

Community-Dwelling Adults versus Older Adults: Psychopathology and the Continuum Hypothesis

ERIC Educational Resources Information Center

Lagana, Luciana; Tramutolo, Carmine; Boncori, Lucia; Cruciani, Anna Clara

2012-01-01

Little empirical evidence is available on older adults regarding the existence of a continuum between "normal" personality traits and DSM-IV-TR Axes I and II disorders (American Psychiatric Association, 2000). Given the typical complexity of clinical presentations in advanced age, it is feasible to expect a dimensional conceptualization…

Compact continuum brain model for human electroencephalogram

NASA Astrophysics Data System (ADS)

Kim, J. W.; Shin, H.-B.; Robinson, P. A.

2007-12-01

A low-dimensional, compact brain model has recently been developed based on physiologically based mean-field continuum formulation of electric activity of the brain. The essential feature of the new compact model is a second order time-delayed differential equation that has physiologically plausible terms, such as rapid corticocortical feedback and delayed feedback via extracortical pathways. Due to its compact form, the model facilitates insight into complex brain dynamics via standard linear and nonlinear techniques. The model successfully reproduces many features of previous models and experiments. For example, experimentally observed typical rhythms of electroencephalogram (EEG) signals are reproduced in a physiologically plausible parameter region. In the nonlinear regime, onsets of seizures, which often develop into limit cycles, are illustrated by modulating model parameters. It is also shown that a hysteresis can occur when the system has multiple attractors. As a further illustration of this approach, power spectra of the model are fitted to those of sleep EEGs of two subjects (one with apnea, the other with narcolepsy). The model parameters obtained from the fittings show good matches with previous literature. Our results suggest that the compact model can provide a theoretical basis for analyzing complex EEG signals.

Nonlinear finite-element analysis of nanoindentation of viral capsids

NASA Astrophysics Data System (ADS)

Gibbons, Melissa M.; Klug, William S.

2007-03-01

Recent atomic force microscope (AFM) nanoindentation experiments measuring mechanical response of the protein shells of viruses have provided a quantitative description of their strength and elasticity. To better understand and interpret these measurements, and to elucidate the underlying mechanisms, this paper adopts a course-grained modeling approach within the framework of three-dimensional nonlinear continuum elasticity. Homogeneous, isotropic, elastic, thick-shell models are proposed for two capsids: the spherical cowpea chlorotic mottle virus (CCMV), and the ellipsocylindrical bacteriophage ϕ29 . As analyzed by the finite-element method, these models enable parametric characterization of the effects of AFM tip geometry, capsid dimensions, and capsid constitutive descriptions. The generally nonlinear force response of capsids to indentation is shown to be insensitive to constitutive particulars, and greatly influenced by geometric and kinematic details. Nonlinear stiffening and softening of the force response is dependent on the AFM tip dimensions and shell thickness. Fits of the models capture the roughly linear behavior observed in experimental measurements and result in estimates of Young’s moduli of ≈280-360MPa for CCMV and ≈4.5GPa for ϕ29 .

Semiflexible macromolecules in quasi-one-dimensional confinement: Discrete versus continuous bond angles.

PubMed

Huang, Aiqun; Hsu, Hsiao-Ping; Bhattacharya, Aniket; Binder, Kurt

2015-12-28

The conformations of semiflexible polymers in two dimensions confined in a strip of width D are studied by computer simulations, investigating two different models for the mechanism by which chain stiffness is realized. One model (studied by molecular dynamics) is a bead-spring model in the continuum, where stiffness is controlled by a bond angle potential allowing for arbitrary bond angles. The other model (studied by Monte Carlo) is a self-avoiding walk chain on the square lattice, where only discrete bond angles (0° and ±90°) are possible, and the bond angle potential then controls the density of kinks along the chain contour. The first model is a crude description of DNA-like biopolymers, while the second model (roughly) describes synthetic polymers like alkane chains. It is first demonstrated that in the bulk the crossover from rods to self-avoiding walks for both models is very similar, when one studies average chain linear dimensions, transverse fluctuations, etc., despite their differences in local conformations. However, in quasi-one-dimensional confinement two significant differences between both models occur: (i) The persistence length (extracted from the average cosine of the bond angle) gets renormalized for the lattice model when D gets less than the bulk persistence length, while in the continuum model it stays unchanged. (ii) The monomer density near the repulsive walls for semiflexible polymers is compatible with a power law predicted for the Kratky-Porod model in the case of the bead-spring model, while for the lattice case it tends to a nonzero constant across the strip. However, for the density of chain ends, such a constant behavior seems to occur for both models, unlike the power law observed for flexible polymers. In the regime where the bulk persistence length ℓp is comparable to D, hairpin conformations are detected, and the chain linear dimensions are discussed in terms of a crossover from the Daoud/De Gennes "string of blobs"-picture to the flexible rod picture when D decreases and/or the chain stiffness increases. Introducing a suitable further coarse-graining of the chain contours of the continuum model, direct estimates for the deflection length and its distribution could be obtained.

Derivation of a hydrodynamic theory for mesoscale dynamics in microswimmer suspensions

NASA Astrophysics Data System (ADS)

Reinken, Henning; Klapp, Sabine H. L.; Bär, Markus; Heidenreich, Sebastian

2018-02-01

In this paper, we systematically derive a fourth-order continuum theory capable of reproducing mesoscale turbulence in a three-dimensional suspension of microswimmers. We start from overdamped Langevin equations for a generic microscopic model (pushers or pullers), which include hydrodynamic interactions on both small length scales (polar alignment of neighboring swimmers) and large length scales, where the solvent flow interacts with the order parameter field. The flow field is determined via the Stokes equation supplemented by an ansatz for the stress tensor. In addition to hydrodynamic interactions, we allow for nematic pair interactions stemming from excluded-volume effects. The results here substantially extend and generalize earlier findings [S. Heidenreich et al., Phys. Rev. E 94, 020601 (2016), 10.1103/PhysRevE.94.020601], in which we derived a two-dimensional hydrodynamic theory. From the corresponding mean-field Fokker-Planck equation combined with a self-consistent closure scheme, we derive nonlinear field equations for the polar and the nematic order parameter, involving gradient terms of up to fourth order. We find that the effective microswimmer dynamics depends on the coupling between solvent flow and orientational order. For very weak coupling corresponding to a high viscosity of the suspension, the dynamics of mesoscale turbulence can be described by a simplified model containing only an effective microswimmer velocity.

Modeling two-phase flow in PEM fuel cell channels

NASA Astrophysics Data System (ADS)

Wang, Yun; Basu, Suman; Wang, Chao-Yang

2008-05-01

This paper is concerned with the simultaneous flow of liquid water and gaseous reactants in mini-channels of a proton exchange membrane (PEM) fuel cell. Envisaging the mini-channels as structured and ordered porous media, we develop a continuum model of two-phase channel flow based on two-phase Darcy's law and the M2 formalism, which allow estimate of the parameters key to fuel cell operation such as overall pressure drop and liquid saturation profiles along the axial flow direction. Analytical solutions of liquid water saturation and species concentrations along the channel are derived to explore the dependences of these physical variables vital to cell performance on operating parameters such as flow stoichiometric ratio and relative humility. The two-phase channel model is further implemented for three-dimensional numerical simulations of two-phase, multi-component transport in a single fuel-cell channel. Three issues critical to optimizing channel design and mitigating channel flooding in PEM fuel cells are fully discussed: liquid water buildup towards the fuel cell outlet, saturation spike in the vicinity of flow cross-sectional heterogeneity, and two-phase pressure drop. Both the two-phase model and analytical solutions presented in this paper may be applicable to more general two-phase flow phenomena through mini- and micro-channels.

Analysis of the Three-Dimensional Vector FAÇADE Model Created from Photogrammetric Data

NASA Astrophysics Data System (ADS)

Kamnev, I. S.; Seredovich, V. A.

2017-12-01

The results of the accuracy assessment analysis for creation of a three-dimensional vector model of building façade are described. In the framework of the analysis, analytical comparison of three-dimensional vector façade models created by photogrammetric and terrestrial laser scanning data has been done. The three-dimensional model built from TLS point clouds was taken as the reference one. In the course of the experiment, the three-dimensional model to be analyzed was superimposed on the reference one, the coordinates were measured and deviations between the same model points were determined. The accuracy estimation of the three-dimensional model obtained by using non-metric digital camera images was carried out. Identified façade surface areas with the maximum deviations were revealed.

Controlling quasibound states in a one-dimensional continuum through an electromagnetically-induced-transparency mechanism

NASA Astrophysics Data System (ADS)

Gong, Z. R.; Ian, H.; Zhou, Lan; Sun, C. P.

2008-11-01

We study the coherent scattering process of a single photon confined in an one-dimensional (1D) coupled cavity-array, where a Λ -type three-level atom is placed inside one of the cavities in the array and behaves as a functional quantum node (FQN). We show that, through the electromagnetically-induced-transparency mechanism, the Λ -type FQN bears complete control over the reflection and transmission of the incident photon along the cavity array. We also demonstrate the emergence of a quasibound state of the single photon inside a secondary cavity constructed by two distant FQN’s as two end mirrors, from which we are motivated to design an all-optical single photon storage device of quantum coherence.

The Behavioral Approach System (BAS) Model of Vulnerability to Bipolar Disorder: Evidence of a Continuum in BAS Sensitivity across Adolescence.

PubMed

Liu, Richard T; Burke, Taylor A; Abramson, Lyn Y; Alloy, Lauren B

2017-11-04

Behavioral Approach System (BAS) sensitivity has been implicated in the development of a variety of different psychiatric disorders. Prominent among these in the empirical literature are bipolar spectrum disorders (BSDs). Given that adolescence represents a critical developmental stage of risk for the onset of BSDs, it is important to clarify the latent structure of BAS sensitivity in this period of development. A statistical approach especially well-suited for delineating the latent structure of BAS sensitivity is taxometric analysis, which is designed to evaluate whether the latent structure of a construct is taxonic (i.e., categorical) or dimensional (i.e., continuous) in nature. The current study applied three mathematically non-redundant taxometric procedures (i.e., MAMBAC, MAXEIG, and L-Mode) to a large community sample of adolescents (n = 12,494) who completed two separate measures of BAS sensitivity: the BIS/BAS Scales Carver and White (Journal of Personality and Social Psychology, 67, 319-333. 1994) and the Sensitivity to Reward and Sensitivity to Punishment Questionnaire (Torrubia et al. Personality and Individual Differences, 31, 837-862. 2001). Given the significant developmental changes in reward sensitivity that occur across adolescence, the current investigation aimed to provide a fine-grained evaluation of the data by performing taxometric analyses at an age-by-age level (14-19 years; n for each age ≥ 883). Results derived from taxometric procedures, across all ages tested, were highly consistent, providing strong evidence that BAS sensitivity is best conceptualized as dimensional in nature. Thus, the findings suggest that BAS-related vulnerability to BSDs exists along a continuum of severity, with no natural cut-point qualitatively differentiating high- and low-risk adolescents. Clinical and research implications for the assessment of BSD-related vulnerability are discussed.

Multigrid for Staggered Lattice Fermions

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

Brower, Richard C.; Clark, M. A.; Strelchenko, Alexei

Critical slowing down in Krylov methods for the Dirac operator presents a major obstacle to further advances in lattice field theory as it approaches the continuum solution. Here we formulate a multi-grid algorithm for the Kogut-Susskind (or staggered) fermion discretization which has proven difficult relative to Wilson multigrid due to its first-order anti-Hermitian structure. The solution is to introduce a novel spectral transformation by the K\\"ahler-Dirac spin structure prior to the Galerkin projection. We present numerical results for the two-dimensional, two-flavor Schwinger model, however, the general formalism is agnostic to dimension and is directly applicable to four-dimensional lattice QCD.

Two-Dimensional Array Beam Scanning Via Externally and Mutually Injection Locked Coupled Oscillators

NASA Technical Reports Server (NTRS)

Pogorzelski, Ronald J.

2000-01-01

Some years ago, Stephan proposed an approach to one dimensional (linear) phased array beam steering which requires only a single phase shifter. This involves the use of a linear array of voltage-controlled electronic oscillators coupled to nearest neighbors. The oscillators are mutually injection locked by controlling their coupling and tuning appropriately. Stephan's approach consists of deriving two signals from a master oscillator, one signal phase shifted with respect to the other by means of a single phase shifter. These two signals are injected into the end oscillators of the array. The result is a linear phase progression across the oscillator array. Thus, if radiating elements are connected to each oscillator and spaced uniformly along a line, they will radiate a beam at an angle to that line determined by the phase gradient which is, in turn, determined by the phase difference between the injection signals.The beam direction is therefore controlled by adjusting this phase difference. Recently, Pogorzelski and York presented a formulation which facilitates theoretical analysis of the above beam steering technique. This was subsequently applied by Pogorzelski in analysis of two dimensional beam steering using perimeter detuning of a coupled oscillator array. The formulation is based on a continuum model in which the oscillator phases are represented by a continuous function satisfying a partial differential equation of diffusion type. This equation can be solved via the Laplace transform and the resulting solution exhibits the dynamic behavior of the array as the beam is steered. Stephan's beam steering technique can be similarly generalized to two-dimensional arrays in which the beam control signals are applied to the oscillators on the perimeter of the array. In this paper the continuum model for this two-dimensional case is developed and the dynamic solution for the corresponding aperture phase function is obtained. The corresponding behavior of the resulting far-zone radiation pattern is displayed as well.

Few-Body Techniques Using Momentum Space for Bound and Continuum States

NASA Astrophysics Data System (ADS)

Yamashita, M. T.; Rosa, D. S.; Sandoval, J. H.

2018-05-01

This article is based on the notes (arxiv:1710.11228) written for a set of three lectures given in a school at the Max Planck Institute for the Physics of Complex Systems in October/2017 before the workshop "Critical Stability of Quantum Few-Body Systems". The last part of the article includes the specific topic presented in the workshop related to the dimensional effects in three-body systems. These notes are primarily dedicated to the students and are only a tentative to show a technique, among many others, to solve problems in a very rich area of the contemporary physics—the Few-Body Physics.

On the role of self-adjointness in the continuum formulation of topological quantum phases

NASA Astrophysics Data System (ADS)

Tanhayi Ahari, Mostafa; Ortiz, Gerardo; Seradjeh, Babak

2016-11-01

Topological quantum phases of matter are characterized by an intimate relationship between the Hamiltonian dynamics away from the edges and the appearance of bound states localized at the edges of the system. Elucidating this correspondence in the continuum formulation of topological phases, even in the simplest case of a one-dimensional system, touches upon fundamental concepts and methods in quantum mechanics that are not commonly discussed in textbooks, in particular the self-adjoint extensions of a Hermitian operator. We show how such topological bound states can be derived in a prototypical one-dimensional system. Along the way, we provide a pedagogical exposition of the self-adjoint extension method as well as the role of symmetries in correctly formulating the continuum, field-theory description of topological matter with boundaries. Moreover, we show that self-adjoint extensions can be characterized generally in terms of a conserved local current associated with the self-adjoint operator.

Series Pneumatic Artificial Muscles (sPAMs) and Application to a Soft Continuum Robot.

PubMed

Greer, Joseph D; Morimoto, Tania K; Okamura, Allison M; Hawkes, Elliot W

2017-01-01

We describe a new series pneumatic artificial muscle (sPAM) and its application as an actuator for a soft continuum robot. The robot consists of three sPAMs arranged radially round a tubular pneumatic backbone. Analogous to tendons, the sPAMs exert a tension force on the robot's pneumatic backbone, causing bending that is approximately constant curvature. Unlike a traditional tendon driven continuum robot, the robot is entirely soft and contains no hard components, making it safer for human interaction. Models of both the sPAM and soft continuum robot kinematics are presented and experimentally verified. We found a mean position accuracy of 5.5 cm for predicting the end-effector position of a 42 cm long robot with the kinematic model. Finally, closed-loop control is demonstrated using an eye-in-hand visual servo control law which provides a simple interface for operation by a human. The soft continuum robot with closed-loop control was found to have a step-response rise time and settling time of less than two seconds.

Series Pneumatic Artificial Muscles (sPAMs) and Application to a Soft Continuum Robot

PubMed Central

Greer, Joseph D.; Morimoto, Tania K.; Okamura, Allison M.; Hawkes, Elliot W.

2017-01-01

We describe a new series pneumatic artificial muscle (sPAM) and its application as an actuator for a soft continuum robot. The robot consists of three sPAMs arranged radially round a tubular pneumatic backbone. Analogous to tendons, the sPAMs exert a tension force on the robot’s pneumatic backbone, causing bending that is approximately constant curvature. Unlike a traditional tendon driven continuum robot, the robot is entirely soft and contains no hard components, making it safer for human interaction. Models of both the sPAM and soft continuum robot kinematics are presented and experimentally verified. We found a mean position accuracy of 5.5 cm for predicting the end-effector position of a 42 cm long robot with the kinematic model. Finally, closed-loop control is demonstrated using an eye-in-hand visual servo control law which provides a simple interface for operation by a human. The soft continuum robot with closed-loop control was found to have a step-response rise time and settling time of less than two seconds. PMID:29379672

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

Showman, Adam P.; Lewis, Nikole K.; Fortney, Jonathan J., E-mail: showman@lpl.arizona.edu

Efforts to characterize extrasolar giant planet (EGP) atmospheres have so far emphasized planets within 0.05 AU of their stars. Despite this focus, known EGPs populate a continuum of orbital separations from canonical hot Jupiter values (0.03–0.05 AU) out to 1 AU and beyond. Unlike typical hot Jupiters, these more distant EGPs will not generally be synchronously rotating. In anticipation of observations of this population, we here present three-dimensional atmospheric circulation models exploring the dynamics that emerge over a broad range of rotation rates and incident stellar fluxes appropriate for warm and hot Jupiters. We find that the circulation resides inmore » one of two basic regimes. On typical hot Jupiters, the strong day–night heating contrast leads to a broad, fast superrotating (eastward) equatorial jet and large day–night temperature differences. At faster rotation rates and lower incident fluxes, however, the day–night heating gradient becomes less important, and baroclinic instabilities emerge as a dominant player, leading to eastward jets in the midlatitudes, minimal temperature variations in longitude, and, often, weak winds at the equator. Our most rapidly rotating and least irradiated models exhibit similarities to Jupiter and Saturn, illuminating the dynamical continuum between hot Jupiters and the weakly irradiated giant planets of our own solar system. We present infrared (IR) light curves and spectra of these models, which depend significantly on incident flux and rotation rate. This provides a way to identify the regime transition in future observations. In some cases, IR light curves can provide constraints on the rotation rate of nonsynchronously rotating planets.« less

The 3D dynamics of the Cosserat rod as applied to continuum robotics

NASA Astrophysics Data System (ADS)

Jones, Charles Rees

2011-12-01

In the effort to simulate the biologically inspired continuum robot's dynamic capabilities, researchers have been faced with the daunting task of simulating---in real-time---the complete three dimensional dynamics of the "beam-like" structure which includes the three "stiff" degrees-of-freedom transverse and dilational shear. Therefore, researchers have traditionally limited the difficulty of the problem with simplifying assumptions. This study, however, puts forward a solution which makes no simplifying assumptions and trades off only the real-time requirement of the desired solution. The solution is a Finite Difference Time Domain method employing an explicit single step method with cheap right hands sides. The cheap right hand sides are the result of a rather ingenious formulation of the classical beam called the Cosserat rod by, first, the Cosserat brothers and, later, Stuart S. Antman which results in five nonlinear but uncoupled equations that require only multiplication and addition. The method is therefore suitable for hardware implementation thus moving the real-time requirement from a software solution to a hardware solution.

Ecomorphological analysis of bovid mandibles from Laetoli Tanzania using 3D geometric morphometrics: Implications for hominin paleoenvironmental reconstruction.

PubMed

Forrest, Frances L; Plummer, Thomas W; Raaum, Ryan L

2018-01-01

The current study describes a new method of mandibular ecological morphology (ecomorphology). Three-dimensional geometric morphometrics (3D GM) was used to quantify mandibular shape variation between extant bovids with different feeding preferences. Landmark data were subjected to generalized Procrustes analysis (GPA), principal components analysis (PCA), and discriminant function analysis (DFA). The PCA resulted in a continuum from grazers to browsers along PC1 and DFA classified 88% or more of the modern specimens to the correct feeding category. The protocol was reduced to a subset of landmarks on the mandibular corpus in order to make it applicable to incomplete fossils. The reduced landmark set resulted in greater overlap between feeding categories but maintained the same continuum as the complete landmark model. The DFA resubstitution and jackknife analyses resulted in classification success rates of 85% and 80%, respectively. The reduced landmark model was applied to fossil mandibles from the Upper Laetolil Beds (∼4.3-3.5 Ma) and Upper Ndolanya Beds (∼2.7-2.6 Ma) at Laetoli, Tanzania in order to assess antelope diet, and indirectly evaluate paleo-vegetation structure. The majority of the fossils were classified by the DFA as browsers or mixed feeders preferring browse. Our results indicate a continuous presence of wooded habitats and are congruent with recent environmental studies at Laetoli indicating a mosaic woodland-bushland-grassland savanna ecosystem. Copyright © 2017 Elsevier Ltd. All rights reserved.

Phenomenological Study of Interaction between Solar Acoustic Waves and Sunspots from Measured Scattered Wavefunctions

NASA Astrophysics Data System (ADS)

Yang, Ming-Hsu; Chou, Dean-Yi; Zhao, Hui; Liang, Zhi-Chao

2012-08-01

The solar acoustic waves around a sunspot are modified because of the interaction with the sunspot. The interaction can be viewed as that the sunspot, excited by the incident wave, generates the scattered wave, and the scattered wave is added to the incident wave to form the total wave around the sunspot. We define an interaction parameter, which could be complex, describing the interaction between the acoustic waves and the sunspot. The scattered wavefunction on the surface can be expressed as a two-dimensional integral of the product of the Green's function, the wavefunction, and the two-dimensional interaction parameter over the sunspot area for the Born approximation of different orders. We assume a simple model for the two-dimensional interaction parameter distribution: its absolute value is axisymmetric with a Gaussian distribution and its phase is a constant. The measured scattered wavefunctions of various modes for NOAAs 11084 and 11092 are fitted to the theoretical scattered wavefunctions to determine the three model parameters, magnitude, Gaussian radius, and phase, for the Born approximation of different orders. The three model parameters converge to some values at high-order Born approximations. The result of the first-order Born approximation is significantly different from the convergent value in some cases. The rate of convergence depends on the sunspot size and wavelength. It converges more rapidly for the smaller sunspot and longer wavelength. The magnitude increases with mode frequency and degree for each radial order. The Gaussian radius is insensitive to frequency and degree. The spatial range of the interaction parameter is greater than that of the continuum intensity deficit, but smaller than that of the acoustic power deficit of the sunspot. The phase versus phase speed falls into a small range. This suggests that the phase could be a function phase speed. NOAAs 11084 and 11092 have a similar magnitude and phase, although the ratio of their sizes is 0.75.

Quasi Sturmian basis for the two-electon continuum

NASA Astrophysics Data System (ADS)

Zaytsev, A. S.; Ancarani, L. U.; Zaytsev, S. A.

2016-02-01

A new type of basis functions is proposed to describe a two-electron continuum which arises as a final state in electron-impact ionization and double photoionization of atomic systems. We name these functions, which are calculated in terms of the recently introduced quasi Sturmian functions, Convoluted Quasi Sturmian functions (CQS); by construction, they look asymptotically like a six-dimensional spherical wave. The driven equation describing an ( e, 3 e) process on helium in the framework of the Temkin-Poet model is solved numerically in the entire space (rather than in a finite region of space) using expansions on CQS basis functions. We show that quite rapid convergence of the solution expansion can be achieved by multiplying the basis functions by the logarithmic phase factor corresponding to the Coulomb electron-electron interaction.

Numerical modeling of flow and transport in the far-field of a generic nuclear waste repository in fractured crystalline rock using updated fracture continuum model

NASA Astrophysics Data System (ADS)

Hadgu, T.; Kalinina, E.; Klise, K. A.; Wang, Y.

2016-12-01

Disposal of high-level radioactive waste in a deep geological repository in crystalline host rock is one of the potential options for long term isolation. Characterization of the natural barrier system is an important component of the disposal option. In this study we present numerical modeling of flow and transport in fractured crystalline rock using an updated fracture continuum model (FCM). The FCM is a stochastic method that maps the permeability of discrete fractures onto a regular grid. The original method by McKenna and Reeves (2005) has been updated to provide capabilities that enhance representation of fractured rock. As reported in Hadgu et al. (2015) the method was first modified to include fully three-dimensional representations of anisotropic permeability, multiple independent fracture sets, and arbitrary fracture dips and orientations, and spatial correlation. More recently the FCM has been extended to include three different methods. (1) The Sequential Gaussian Simulation (SGSIM) method uses spatial correlation to generate fractures and define their properties for FCM (2) The ELLIPSIM method randomly generates a specified number of ellipses with properties defined by probability distributions. Each ellipse represents a single fracture. (3) Direct conversion of discrete fracture network (DFN) output. Test simulations were conducted to simulate flow and transport using ELLIPSIM and direct conversion of DFN methods. The simulations used a 1 km x 1km x 1km model domain and a structured with grid block of size of 10 m x 10m x 10m, resulting in a total of 106 grid blocks. Distributions of fracture parameters were used to generate a selected number of realizations. For each realization, the different methods were applied to generate representative permeability fields. The PFLOTRAN (Hammond et al., 2014) code was used to simulate flow and transport in the domain. Simulation results and analysis are presented. The results indicate that the FCM approach is a viable method to model fractured crystalline rocks. The FCM is a computationally efficient way to generate realistic representation of complex fracture systems. This approach is of interest for nuclear waste disposal models applied over large domains. SAND2016-7509 A

Time-Resolved Properties and Global Trends in dMe Flares from Simultaneous Photometry and Spectra

NASA Astrophysics Data System (ADS)

Kowalski, Adam F.

We present a homogeneous survey of near-ultraviolet (NUV) /optical line and continuum emission during twenty M dwarf flares with simultaneous, high cadence photometry and spectra. These data were obtained to study the white-light continuum components to the blue and red of the Balmer jump to break the degeneracy with fitting emission mechanisms to broadband colors and to provide constraints for radiative-hydrodynamic flare models that seek to reproduce the white-light flare emission. The main results from the continuum analysis are the following: 1) the detection of Balmer continuum (in emission) that is present during all flares, with a wide range of relative contribution to the continuum flux in the NUV; 2) a blue continuum at the peak of the photometry that is linear with wavelength from λ = 4000 - 4800Å, matched by the spectral shape of hot, blackbody emission with typical temperatures of 10 000 - 12 000 K; 3) a redder continuum apparent at wavelengths longer than Hβ; this continuum becomes relatively more important to the energy budget during the late gradual phase. The hot blackbody component and redder continuum component (which we call "the conundruum") have been detected in previous UBVR colorimetry studies of flares. With spectra, one can compare the properties and detailed timings of all three components. Using time-resolved spectra during the rise phase of three flares, we calculate the speed of an expanding flare region assuming a simple geometry; the speeds are found to be ~5- 10 km s-1 and 50 - 120 km s -1, which are strikingly consistent with the speeds at which two-ribbon flares develop on the Sun. The main results from the emission line analysis are 1) the presentation of the "time-decrement", a relation between the timescales of the Balmer series; 2) a Neupert-like relation between Ca \\pcy K and the blackbody continuum, and 3) the detection of absorption wings in the Hydrogen Balmer lines during times of peak continuum emission, indicative of hot-star spectra forming during the flare. A byproduct of this study is a new method for deriving absolute fluxes during M dwarf flare observations obtained from narrow-slit spectra or during variable weather conditions. This technique allows us to analyze the spectra and photometry independently of one another, in order to connect the spectral properties to the rise, peak, and decay phases of broadband light curve morphology. We classify the light curve morphology according to an "impulsiveness index" and find that the fast (impulsive) flares have less Balmer continuum at peak emission than the slow (gradual) flares. In the gradual phase, the energy budget of the flare spectrum during almost all flares has a larger contribution from the Hydrogen Balmer component than in the impulsive phase, suggesting that the heating and cooling processes evolve over the course of a flare. We find that, in general, the evolution of the hot blackbody is rapid, and that the blackbody temperature decreases to ~8000 K in the gradual phase. The Balmer continuum evolves more slowly than the blackbody ¨C similar to the higher order Balmer lines but faster than the lower order Balmer lines. The height of the Balmer jump increases during the gradual decay phase. We model the Balmer continuum emission using the RHD F11 model spectrum from Allred et al. (2006), but we discuss several important systematic uncertainties in relating the apparent amount of Balmer continuum to a given RHD beam model. Good fits to the shape of the RHD F11 model spectrum are not obtained at peak times, in contrast to the gradual phase. We model the blackbody component using model hot star atmospheres from Castelli & Kurucz (2004) in order to account for the effects of flux redistribution in the flare atmosphere. This modeling is motivated by observations during a secondary flare in the decay phase of a megaflare, when the newly formed flare spectrum resembled that of Vega with the Balmer continuum and lines in absorption. We model this continuum phenomenologically with the RH code using hot spots placed at high column mass in the M dwarf quiescent atmosphere; a superposition of hot spot models and the RHD model are used to explain the anti-correlation in the apparent amount of Balmer continuum in emission and the U-band light curve. We attempt to reproduce the blackbody component in self-consistent 1D radiative hydrodynamic flare models using the RADYN code. We simulate the flare using a solar-type nonthermal electron beam heating function with a total energy flux of 1012 ergs cm-2 s-1 (F12) for a duration of 5 seconds and a subsequent gradual phase. Although there is a larger amount of NUV backwarming at log mc/(1g cm-2)~0 than in the F11 model, the resulting flare continuum shape is similar to the F11 model spectrum with a larger Balmer jump and a much redder spectral shape than is seen in the observations. We do not find evidence of white-light emitting chromospheric condensations, in contrast to the previous F12 model of Livshits et al. (1981). We discuss future avenues for RHD modeling in order to produce a hot blackbody component, including the treatment of nonthermal protons in M dwarf flares.

A one-dimensional peridynamic model of defect propagation and its relation to certain other continuum models

NASA Astrophysics Data System (ADS)

Wang, Linjuan; Abeyaratne, Rohan

2018-07-01

The peridynamic model of a solid does not involve spatial gradients of the displacement field and is therefore well suited for studying defect propagation. Here, bond-based peridynamic theory is used to study the equilibrium and steady propagation of a lattice defect - a kink - in one dimension. The material transforms locally, from one state to another, as the kink passes through. The kink is in equilibrium if the applied force is less than a certain critical value that is calculated, and propagates if it exceeds that value. The kinetic relation giving the propagation speed as a function of the applied force is also derived. In addition, it is shown that the dynamical solutions of certain differential-equation-based models of a continuum are the same as those of the peridynamic model provided the micromodulus function is chosen suitably. A formula for calculating the micromodulus function of the equivalent peridynamic model is derived and illustrated. This ability to replace a differential-equation-based model with a peridynamic one may prove useful when numerically studying more complicated problems such as those involving multiple and interacting defects.

Levitation of current carrying states in the lattice model for the integer quantum Hall effect.

PubMed

Koschny, T; Potempa, H; Schweitzer, L

2001-04-23

The disorder driven quantum Hall to insulator transition is investigated for a two-dimensional lattice model. The Hall conductivity and the localization length are calculated numerically near the transition. For uncorrelated and weakly correlated disorder potentials the current carrying states are annihilated by the negative Chern states originating from the band center. In the presence of correlated disorder potentials with correlation length larger than approximately half the lattice constant the floating up of the critical states in energy without merging is observed. This behavior is similar to the levitation scenario proposed for the continuum model.

Two-Dimensional Versus Three-Dimensional Conceptualization in Astronomy Education

NASA Astrophysics Data System (ADS)

Reynolds, Michael David

Numerous science conceptual issues are naturally three-dimensional. Classroom presentations are often two -dimensional or at best multidimensional. Several astronomy topics are of this nature, e. g. mechanics of the phases of the moon. Textbooks present this three-dimensional topic in two-dimensions; such is often the case in the classroom. This study was conducted to examine conceptions exhibited by pairs of like-sex 11th grade standard physics students as they modeled the lunar phases. Student pairs, 13 male and 13 female, were randomly selected and assigned. Pairing comes closer to classroom emulation, minimizes needs for direct probes, and pair discussion is more likely to display variety and depth. Four hypotheses were addressed: (1) Participants who model three-dimensionally will more likely achieve a higher explanation score. (2) Students who experienced more earth or physical science exposure will more likely model three-dimensionally. (3) Pairs that exhibit a strong science or mathematics preference will more likely model three-dimensionally. (4) Males will model in three dimensions more than females. Students provided background information, including science course exposure and subject preference. Each pair laid out a 16-card set representing two complete lunar phase changes. The pair was asked to explain why the phases occur. Materials were provided for use, including disks, spheres, paper and pen, and flashlight. Activities were videotaped for later evaluation. Statistics of choice was a correlation determination between course preference and model type and ANOVA for the other hypotheses. It was determined that pairs who modeled three -dimensionally achieved a higher score on their phases mechanics explanation at p <.05 level. Pairs with earth science or physical science exposure, those who prefer science or mathematics, and male participants were not more likely to model three-dimensionally. Possible reasons for lack of significance was small sample size and in the case of course preferences, small differences in course preference means. Based on this study, instructors should be aware of dimensionality and student misconceptions. Whenever possible, three-dimensional concepts should be modeled as such. Authors and publishers should consider modeling suggestions and three-dimensional ancillaries.

SEACAS Theory Manuals: Part 1. Problem Formulation in Nonlinear Solid Mechancis

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

Attaway, S.W.; Laursen, T.A.; Zadoks, R.I.

1998-08-01

This report gives an introduction to the basic concepts and principles involved in the formulation of nonlinear problems in solid mechanics. By way of motivation, the discussion begins with a survey of some of the important sources of nonlinearity in solid mechanics applications, using wherever possible simple one dimensional idealizations to demonstrate the physical concepts. This discussion is then generalized by presenting generic statements of initial/boundary value problems in solid mechanics, using linear elasticity as a template and encompassing such ideas as strong and weak forms of boundary value problems, boundary and initial conditions, and dynamic and quasistatic idealizations. Themore » notational framework used for the linearized problem is then extended to account for finite deformation of possibly inelastic solids, providing the context for the descriptions of nonlinear continuum mechanics, constitutive modeling, and finite element technology given in three companion reports.« less

Ferromagnetic Switching of Knotted Vector Fields in Liquid Crystal Colloids.

PubMed

Zhang, Qiaoxuan; Ackerman, Paul J; Liu, Qingkun; Smalyukh, Ivan I

2015-08-28

We experimentally realize polydomain and monodomain chiral ferromagnetic liquid crystal colloids that exhibit solitonic and knotted vector field configurations. Formed by dispersions of ferromagnetic nanoplatelets in chiral nematic liquid crystals, these colloidal ferromagnets exhibit spontaneous long-range alignment of magnetic dipole moments of individual platelets, giving rise to a continuum of the magnetization field M(r). Competing effects of surface confinement and chirality prompt spontaneous formation and enable the optical generation of localized twisted solitonic structures with double-twist tubes and torus knots of M(r), which exhibit a strong sensitivity to the direction of weak magnetic fields ∼1  mT. Numerical modeling, implemented through free energy minimization to arrive at a field-dependent three-dimensional M(r), shows a good agreement with experiments and provides insights into the torus knot topology of observed field configurations and the corresponding physical underpinnings.

Efficient radiative transfer methods for continuum and line transfer in large three-dimensional models

NASA Astrophysics Data System (ADS)

Juvela, Mika J.

The relationship between physical conditions of an interstellar cloud and the observed radiation is defined by the radiative transfer problem. Radiative transfer calculations are needed if, e.g., one wants to disentangle abundance variations from excitation effects or wants to model variations of dust properties inside an interstellar cloud. New observational facilities (e.g., ALMA and Herschel) will bring improved accuracy both in terms of intensity and spatial resolution. This will enable detailed studies of the densest sub-structures of interstellar clouds and star forming regions. Such observations must be interpreted with accurate radiative transfer methods and realistic source models. In many cases this will mean modelling in three dimensions. High optical depths and observed wide range of linear scales are, however, challenging for radiative transfer modelling. A large range of linear scales can be accessed only with hierarchical models. Figure 1 shows an example of the use of a hierarchical grid for radiative transfer calculations when the original model cloud (L=10 pc, =500 cm-3) was based a MHD simulation carried out on a regular grid (Juvela & Padoan, 2005). For computed line intensities an accuracy of 10% was still reached when the number of individual cells (and the run time) was reduced by a factor of ten. This illustrates how, as long as cloud is not extremely optically thick, most of the emission comes from a small sub-volume. It is also worth noting that while errors are ~10% for any given point they are much smaller when compared with intensity variations. In particular, calculations on hierarchical grid recovered the spatial power spectrum of line emission with very good accuracy. Monte Carlo codes are used widely in both continuum and line transfer calculations. Like any lambda iteration schemes these suffer from slow convergence when models are optically thick. In line transfer Accelerated Monte Carlo methods (AMC) present a partial solution to this problem (Juvela & Padoan, 2000; Hogerheijde & van der Tak, 2000). AMC methods can be used similarly in continuum calculations to speed up the computation of dust temperatures (Juvela, 2005). The sampling problems associated with high optical depths can be solved with weighted sampling and the handling of models with τV ~ 1000 is perfectly feasible. Transiently heated small dust grains pose another problem because the calculation of their temperature distribution is very time consuming. However, a 3D model will contain thousands of cells at very similar conditions. If dust temperature distributions are calculated only once for such a set an approximate solution can be found in a much shorter time time. (Juvela & Padoan, 2003; see Figure 2a). MHD simulations with Automatic Mesh Refinement (AMR) techniques present an exciting development for the modelling of interstellar clouds. Cloud models consist of a hierarchy of grids with different grid steps and the ratio between the cloud size and the smallest resolution elements can be 106 or even larger. We are currently working on radiative transfer codes (line and continuum) that could be used efficiently on such grids (see Figure 2b). The radiative transfer problem can be solved relatively independently on each of the sub-grids. This means that the use of convergence acceleration methods can be limited to those sub-grids where they are needed and, on the other hand, parallelization of the code is straightforward.

A contribution to the modeling of metal plasticity and fracture: From continuum to discrete descriptions

NASA Astrophysics Data System (ADS)

Keralavarma, Shyam Mohan

The objective of this dissertation is to further the understanding of inelastic behavior in metallic materials. Despite the increasing use of polymeric composites in aircraft structures, high specific strength metals continue to be used in key components such as airframe, fuselage, wings, landing gear and hot engine parts. Design of metallic structures subjected to thermomechanical extremes in aerospace, automotive and nuclear applications requires consideration of the plasticity, creep and fracture behavior of these materials. Consideration of inelasticity and damage processes is also important in the design of metallic components used in functional applications such as thin films, flexible electronics and micro electro mechanical systems. Fracture mechanics has been largely successful in modeling damage and failure phenomena in a host of engineering materials. In the context of ductile metals, the Gurson void growth model remains one of the most successful and widely used models. However, some well documented limitations of the model in quantitative prediction of the fracture strains and failure modes at low triaxialities may be traceable to the limited representation of the damage microstructure in the model. In the first part of this dissertation, we develop an extended continuum model of void growth that takes into account details of the material microstructure such as the texture of the plastically deforming matrix and the evolution of the void shape. The need for such an extension is motivated by a detailed investigation of the effects of the two types of anisotropy on the materials' effective response using finite element analysis. The model is derived using the Hill--Mandel homogenization theory and an approximate limit analysis of a porous representative volume element. Comparisons with several numerical studies are presented towards a partial validation of the analytical model. Inelastic phenomena such as plasticity and creep result from the collective behavior of a large number of nano and micro scale defects such as dislocations, vacancies and grain boundaries. Continuum models relate macroscopically observable quantities such as stress and strain by coarse graining the discrete defect microstructure. While continuum models provide a good approximation for the effective behavior of bulk materials, several deviations have been observed in experiments at small scales such as an intrinsic size dependence of the material strength. Discrete dislocation dynamics (DD) is a mesoscale method for obtaining the mechanical response of a material by direct simulation of the motion and interactions of dislocations. The model incorporates an intrinsic length scale in the dislocation Burgers vector and potentially allows for size dependent mechanical behavior to emerge naturally from the dynamics of the dislocation ensemble. In the second part of this dissertation, a simplified twodimensional DD model is employed to study several phenomena of practical interest such as strain hardening under homogeneous deformation, growth of microvoids in a crystalline matrix and creep of single crystals at elevated temperatures. These studies have been enabled by several recent enhancements to the existing two-dimensional DD framework described in Chapter V. The main contributions from this research are: (i) development of a fully anisotropic continuum model of void growth for use in ductile fracture simulations and (ii) enhancing the capabilities of an existing two-dimensional DD framework for large scale simulations in complex domains and at elevated temperatures.

Hybrid continuum-coarse-grained modeling of erythrocytes

NASA Astrophysics Data System (ADS)

Lyu, Jinming; Chen, Paul G.; Boedec, Gwenn; Leonetti, Marc; Jaeger, Marc

2018-06-01

The red blood cell (RBC) membrane is a composite structure, consisting of a phospholipid bilayer and an underlying membrane-associated cytoskeleton. Both continuum and particle-based coarse-grained RBC models make use of a set of vertices connected by edges to represent the RBC membrane, which can be seen as a triangular surface mesh for the former and a spring network for the latter. Here, we present a modeling approach combining an existing continuum vesicle model with a coarse-grained model for the cytoskeleton. Compared to other two-component approaches, our method relies on only one mesh, representing the cytoskeleton, whose velocity in the tangential direction of the membrane may be different from that of the lipid bilayer. The finitely extensible nonlinear elastic (FENE) spring force law in combination with a repulsive force defined as a power function (POW), called FENE-POW, is used to describe the elastic properties of the RBC membrane. The mechanical interaction between the lipid bilayer and the cytoskeleton is explicitly computed and incorporated into the vesicle model. Our model includes the fundamental mechanical properties of the RBC membrane, namely fluidity and bending rigidity of the lipid bilayer, and shear elasticity of the cytoskeleton while maintaining surface-area and volume conservation constraint. We present three simulation examples to demonstrate the effectiveness of this hybrid continuum-coarse-grained model for the study of RBCs in fluid flows.

Numerical Study of Rarefied Hypersonic Flow Interacting with a Continuum Jet. Degree awarded by Pennsylvania State Univ., Aug. 1999

NASA Technical Reports Server (NTRS)

Glass, Christopher E.

2000-01-01

An uncoupled Computational Fluid Dynamics-Direct Simulation Monte Carlo (CFD-DSMC) technique is developed and applied to provide solutions for continuum jets interacting with rarefied external flows. The technique is based on a correlation of the appropriate Bird breakdown parameter for a transitional-rarefied condition that defines a surface within which the continuum solution is unaffected by the external flow-jet interaction. The method is applied to two problems to assess and demonstrate its validity; one of a jet interaction in the transitional-rarefied flow regime and the other in the moderately rarefied regime. Results show that the appropriate Bird breakdown surface for uncoupling the continuum and non-continuum solutions is a function of a non-dimensional parameter relating the momentum flux and collisionality between the two interacting flows. The correlation is exploited for the simulation of a jet interaction modeled for an experimental condition in the transitional-rarefied flow regime and the validity of the correlation is demonstrated. The uncoupled technique is also applied to an aerobraking flight condition for the Mars Global Surveyor spacecraft with attitude control system jet interaction. Aerodynamic yawing moment coefficients for cases without and with jet interaction at various angles-of-attack were predicted, and results from the present method compare well with values published previously. The flow field and surface properties are analyzed in some detail to describe the mechanism by which the jet interaction affects the aerodynamics.

Use of the Fracture Continuum Model for Numerical Modeling of Flow and Transport of Deep Geologic Disposal of Nuclear Waste in Crystalline Rock

NASA Astrophysics Data System (ADS)

Hadgu, T.; Kalinina, E.; Klise, K. A.; Wang, Y.

2015-12-01

Numerical modeling of disposal of nuclear waste in a deep geologic repository in fractured crystalline rock requires robust characterization of fractures. Various methods for fracture representation in granitic rocks exist. In this study we used the fracture continuum model (FCM) to characterize fractured rock for use in the simulation of flow and transport in the far field of a generic nuclear waste repository located at 500 m depth. The FCM approach is a stochastic method that maps the permeability of discrete fractures onto a regular grid. The method generates permeability fields using field observations of fracture sets. The original method described in McKenna and Reeves (2005) was designed for vertical fractures. The method has since then been extended to incorporate fully three-dimensional representations of anisotropic permeability, multiple independent fracture sets, and arbitrary fracture dips and orientations, and spatial correlation (Kalinina et al. 20012, 2014). For this study the numerical code PFLOTRAN (Lichtner et al., 2015) has been used to model flow and transport. PFLOTRAN solves a system of generally nonlinear partial differential equations describing multiphase, multicomponent and multiscale reactive flow and transport in porous materials. The code is designed to run on massively parallel computing architectures as well as workstations and laptops (e.g. Hammond et al., 2011). Benchmark tests were conducted to simulate flow and transport in a specified model domain. Distributions of fracture parameters were used to generate a selected number of realizations. For each realization, the FCM method was used to generate a permeability field of the fractured rock. The PFLOTRAN code was then used to simulate flow and transport in the domain. Simulation results and analysis are presented. The results indicate that the FCM approach is a viable method to model fractured crystalline rocks. The FCM is a computationally efficient way to generate realistic representation of complex fracture systems. This approach is of interest for nuclear waste disposal models applied over large domains.

A methodology to predict damage initiation, damage growth and residual strength in titanium matrix composites

NASA Technical Reports Server (NTRS)

Bakuckas, J. G., Jr.; Johnson, W. S.

1994-01-01

In this research, a methodology to predict damage initiation, damage growth, fatigue life, and residual strength in titanium matrix composites (TMC) is outlined. Emphasis was placed on micromechanics-based engineering approaches. Damage initiation was predicted using a local effective strain approach. A finite element analysis verified the prevailing assumptions made in the formulation of this model. Damage growth, namely, fiber-bridged matrix crack growth, was evaluated using a fiber bridging (FB) model which accounts for thermal residual stresses. This model combines continuum fracture mechanics and micromechanics analyses yielding stress-intensity factor solutions for fiber-bridged matrix cracks. It is assumed in the FB model that fibers in the wake of the matrix crack are idealized as a closure pressure, and an unknown constant frictional shear stress is assumed to act along the debond length of the bridging fibers. This frictional shear stress was used as a curve fitting parameter to the available experimental data. Fatigue life and post-fatigue residual strength were predicted based on the axial stress in the first intact 0 degree fiber calculated using the FB model and a three-dimensional finite element analysis.

Numerical Simulation of Rocket Exhaust Interaction with Lunar Soil

NASA Technical Reports Server (NTRS)

Liever, Peter; Tosh, Abhijit; Curtis, Jennifer

2012-01-01

This technology development originated from the need to assess the debris threat resulting from soil material erosion induced by landing spacecraft rocket plume impingement on extraterrestrial planetary surfaces. The impact of soil debris was observed to be highly detrimental during NASA s Apollo lunar missions and will pose a threat for any future landings on the Moon, Mars, and other exploration targets. The innovation developed under this program provides a simulation tool that combines modeling of the diverse disciplines of rocket plume impingement gas dynamics, granular soil material liberation, and soil debris particle kinetics into one unified simulation system. The Unified Flow Solver (UFS) developed by CFDRC enabled the efficient, seamless simulation of mixed continuum and rarefied rocket plume flow utilizing a novel direct numerical simulation technique of the Boltzmann gas dynamics equation. The characteristics of the soil granular material response and modeling of the erosion and liberation processes were enabled through novel first principle-based granular mechanics models developed by the University of Florida specifically for the highly irregularly shaped and cohesive lunar regolith material. These tools were integrated into a unique simulation system that accounts for all relevant physics aspects: (1) Modeling of spacecraft rocket plume impingement flow under lunar vacuum environment resulting in a mixed continuum and rarefied flow; (2) Modeling of lunar soil characteristics to capture soil-specific effects of particle size and shape composition, soil layer cohesion and granular flow physics; and (3) Accurate tracking of soil-borne debris particles beginning with aerodynamically driven motion inside the plume to purely ballistic motion in lunar far field conditions. In the earlier project phase of this innovation, the capabilities of the UFS for mixed continuum and rarefied flow situations were validated and demonstrated for lunar lander rocket plume flow impingement under lunar vacuum conditions. Applications and improvements to the granular flow simulation tools contributed by the University of Florida were tested against Earth environment experimental results. Requirements for developing, validating, and demonstrating this solution environment were clearly identified, and an effective second phase execution plan was devised. In this phase, the physics models were refined and fully integrated into a production-oriented simulation tool set. Three-dimensional simulations of Apollo Lunar Excursion Module (LEM) and Altair landers (including full-scale lander geometry) established the practical applicability of the UFS simulation approach and its advanced performance level for large-scale realistic problems.

A virtual reality atlas of craniofacial anatomy.

PubMed

Smith, Darren M; Oliker, Aaron; Carter, Christina R; Kirov, Miro; McCarthy, Joseph G; Cutting, Court B

2007-11-01

Head and neck anatomy is complex and represents an educational challenge to the student. Conventional two-dimensional illustrations inherently fall short in conveying intricate anatomical relationships that exist in three dimensions. A gratis three-dimensional virtual reality atlas of craniofacial anatomy is presented in an effort to address the paucity of readily accessible and customizable three-dimensional educational material available to the student of head and neck anatomy. Three-dimensional model construction was performed in Alias Maya 4.5 and 6.0. A basic three-dimensional skull model was altered to include surgical landmarks and proportions. Some of the soft tissues were adapted from previous work, whereas others were constructed de novo. Texturing was completed with Adobe Photoshop 7.0 and Maya. The Internet application was designed in Viewpoint Enliven 1.0. A three-dimensional computer model of craniofacial anatomy (bone and soft tissue) was completed. The model is compatible with many software packages and can be accessed by means of the Internet or downloaded to a personal computer. As the three-dimensional meshes are publicly available, they can be extensively manipulated by the user, even at the polygonal level. Three-dimensional computer graphics has yet to be fully exploited for head and neck anatomy education. In this context, the authors present a publicly available computer model of craniofacial anatomy. This model may also find applications beyond clinical medicine. The model can be accessed gratis at the Plastic and Reconstructive Surgery Web site or obtained as a three-dimensional mesh, also gratis, by contacting the authors.

Distribution function of random strains in an elastically anisotropic continuum and defect strengths of T m3 + impurity ions in crystals with zircon structure

NASA Astrophysics Data System (ADS)

Malkin, B. Z.; Abishev, N. M.; Baibekov, E. I.; Pytalev, D. S.; Boldyrev, K. N.; Popova, M. N.; Bettinelli, M.

2017-07-01

We construct a distribution function of the strain-tensor components induced by point defects in an elastically anisotropic continuum, which can be used to account quantitatively for many effects observed in different branches of condensed matter physics. Parameters of the derived six-dimensional generalized Lorentz distribution are expressed through the integrals computed over the array of strains. The distribution functions for the cubic diamond and elpasolite crystals and tetragonal crystals with the zircon and scheelite structures are presented. Our theoretical approach is supported by a successful modeling of specific line shapes of singlet-doublet transitions of the T m3 + ions doped into AB O4 (A =Y , Lu; B =P , V) crystals with zircon structure, observed in high-resolution optical spectra. The values of the defect strengths of impurity T m3 + ions in the oxygen surroundings, obtained as a result of this modeling, can be used in future studies of random strains in different rare-earth oxides.

Rotating states of self-propelling particles in two dimensions.

PubMed

Chen, Hsuan-Yi; Leung, Kwan-Tai

2006-05-01

We present particle-based simulations and a continuum theory for steady rotating flocks formed by self-propelling particles (SPPs) in two-dimensional space. Our models include realistic but simple rules for the self-propelling, drag, and interparticle interactions. Among other coherent structures, in particle-based simulations we find steady rotating flocks when the velocity of the particles lacks long-range alignment. Physical characteristics of the rotating flock are measured and discussed. We construct a phenomenological continuum model and seek steady-state solutions for a rotating flock. We show that the velocity and density profiles become simple in two limits. In the limit of weak alignment, we find that all particles move with the same speed and the density of particles vanishes near the center of the flock due to the divergence of centripetal force. In the limit of strong body force, the density of particles within the flock is uniform and the velocity of the particles close to the center of the flock becomes small.

Application of micropolar plasticity to post failure analysis in geomechanics

NASA Astrophysics Data System (ADS)

Manzari, Majid T.

2004-08-01

A micropolar elastoplastic model for soils is formulated and a series of finite element analyses are employed to demonstrate the use of a micropolar continuum in overcoming the numerical difficulties encountered in application of finite element method in standard Cauchy-Boltzmann continuum. Three examples of failure analysis involving a deep excavation, shallow foundation, and a retaining wall are presented. In all these cases, it is observed that the length scale introduced in the polar continuum regularizes the incremental boundary value problem and allows the numerical simulation to be continued until a clear collapse mechanism is achieved. The issue of grain size effect is also discussed. Copyright

Role of a computer-generated three-dimensional laryngeal model in anatomy teaching for advanced learners.

PubMed

Tan, S; Hu, A; Wilson, T; Ladak, H; Haase, P; Fung, K

2012-04-01

(1) To investigate the efficacy of a computer-generated three-dimensional laryngeal model for laryngeal anatomy teaching; (2) to explore the relationship between students' spatial ability and acquisition of anatomical knowledge; and (3) to assess participants' opinion of the computerised model. Forty junior doctors were randomised to undertake laryngeal anatomy study supplemented by either a three-dimensional computer model or two-dimensional images. Outcome measurements comprised a laryngeal anatomy test, the modified Vandenberg and Kuse mental rotation test, and an opinion survey. Mean scores ± standard deviations for the anatomy test were 15.7 ± 2.0 for the 'three dimensions' group and 15.5 ± 2.3 for the 'standard' group (p = 0.7222). Pearson's correlation between the rotation test scores and the scores for the spatial ability questions in the anatomy test was 0.4791 (p = 0.086, n = 29). Opinion survey answers revealed significant differences in respondents' perceptions of the clarity and 'user friendliness' of, and their preferences for, the three-dimensional model as regards anatomical study. The three-dimensional computer model was equivalent to standard two-dimensional images, for the purpose of laryngeal anatomy teaching. There was no association between students' spatial ability and functional anatomy learning. However, students preferred to use the three-dimensional model.

Exact static solutions for discrete phi4 models free of the Peierls-Nabarro barrier: discretized first-integral approach.

PubMed

Dmitriev, S V; Kevrekidis, P G; Yoshikawa, N; Frantzeskakis, D J

2006-10-01

We propose a generalization of the discrete Klein-Gordon models free of the Peierls-Nabarro barrier derived in Spreight [Nonlinearity 12, 1373 (1999)] and Barashenkov [Phys. Rev. E 72, 035602(R) (2005)], such that they support not only kinks but a one-parameter set of exact static solutions. These solutions can be obtained iteratively from a two-point nonlinear map whose role is played by the discretized first integral of the static Klein-Gordon field, as suggested by Dmitriev [J. Phys. A 38, 7617 (2005)]. We then discuss some discrete phi4 models free of the Peierls-Nabarro barrier and identify for them the full space of available static solutions, including those derived recently by Cooper [Phys. Rev. E 72, 036605 (2005)] but not limited to them. These findings are also relevant to standing wave solutions of discrete nonlinear Schrödinger models. We also study stability of the obtained solutions. As an interesting aside, we derive the list of solutions to the continuum phi4 equation that fill the entire two-dimensional space of parameters obtained as the continuum limit of the corresponding space of the discrete models.

Discrete is it enough? The revival of Piola-Hencky keynotes to analyze three-dimensional Elastica

NASA Astrophysics Data System (ADS)

Turco, Emilio

2018-04-01

Complex problems such as those concerning the mechanics of materials can be confronted only by considering numerical simulations. Analytical methods are useful to build guidelines or reference solutions but, for general cases of technical interest, they have to be solved numerically, especially in the case of large displacements and deformations. Probably continuous models arose for producing inspiring examples and stemmed from homogenization techniques. These techniques allowed for the solution of some paradigmatic examples but, in general, always require a discretization method for solving problems dictated by the applications. Therefore, and also by taking into account that computing powers are nowadays more largely available and cheap, the question arises: why not using directly a discrete model for 3D beams? In other words, it could be interesting to formulate a discrete model without using an intermediate continuum one, as this last, at the end, has to be discretized in any case. These simple considerations immediately evoke some very basic models developed many years ago when the computing powers were practically inexistent but the problem of finding simple solutions to beam deformation problem was already an emerging one. Actually, in recent years, the keynotes of Hencky and Piola attracted a renewed attention [see, one for all, the work (Turco et al. in Zeitschrift für Angewandte Mathematik und Physik 67(4):1-28, 2016)]: generalizing their results, in the present paper, a novel directly discrete three-dimensional beam model is presented and discussed, in the framework of geometrically nonlinear analysis. Using a stepwise algorithm based essentially on Newton's method to compute the extrapolations and on the Riks' arc-length method to perform the corrections, we could obtain some numerical simulations showing the computational effectiveness of presented model: Indeed, it presents a convenient balance between accuracy and computational cost.

Fluid dynamic modeling and numerical simulation of low-density hypersonic flow

NASA Astrophysics Data System (ADS)

Cheng, H. K.; Wong, Eric Y.

1988-06-01

The concept of a viscous shock-layer and several related versions of continuum theories/methods are examined for their adequacy as a viable framework to study flow physics and aerothermodynamics of relevance to sustained hypersonic flights. Considering the flat plate at angle of attack, or the wedge, as a generic example for the major aerodynamic component of a hypersonic vehicle, the relative importance of the molecular-transport effects behind the shock (in the form of the 'shock slip') and the wall-slip effects are studied. In the flow regime where the shock-transition-zone thickness remains small compared to the shock radius of curvature, a quasi-one-dimensional shock structure under the Burnett/thirteen-moment approximation, as well as particulate/collisional models, can be consistently developed. The fully viscous version of the shock-layer model is shown to provide the crucial boundary condition downstream the shock in this case. The gas-kinetic basis of the continuum description for the flow behind the bow shock, and certain features affecting the non-equilibrium flow chemistry, are also discussed.

Fluid dynamic modeling and numerical simulation of low-density hypersonic flow

NASA Technical Reports Server (NTRS)

Cheng, H. K.; Wong, Eric Y.

1988-01-01

The concept of a viscous shock-layer and several related versions of continuum theories/methods are examined for their adequacy as a viable framework to study flow physics and aerothermodynamics of relevance to sustained hypersonic flights. Considering the flat plate at angle of attack, or the wedge, as a generic example for the major aerodynamic component of a hypersonic vehicle, the relative importance of the molecular-transport effects behind the shock (in the form of the 'shock slip') and the wall-slip effects are studied. In the flow regime where the shock-transition-zone thickness remains small compared to the shock radius of curvature, a quasi-one-dimensional shock structure under the Burnett/thirteen-moment approximation, as well as particulate/collisional models, can be consistently developed. The fully viscous version of the shock-layer model is shown to provide the crucial boundary condition downstream the shock in this case. The gas-kinetic basis of the continuum description for the flow behind the bow shock, and certain features affecting the non-equilibrium flow chemistry, are also discussed.

[Rapid prototyping: a very promising method].

PubMed

Haverman, T M; Karagozoglu, K H; Prins, H-J; Schulten, E A J M; Forouzanfar, T

2013-03-01

Rapid prototyping is a method which makes it possible to produce a three-dimensional model based on two-dimensional imaging. Various rapid prototyping methods are available for modelling, such as stereolithography, selective laser sintering, direct laser metal sintering, two-photon polymerization, laminated object manufacturing, three-dimensional printing, three-dimensional plotting, polyjet inkjet technology,fused deposition modelling, vacuum casting and milling. The various methods currently being used in the biomedical sector differ in production, materials and properties of the three-dimensional model which is produced. Rapid prototyping is mainly usedforpreoperative planning, simulation, education, and research into and development of bioengineering possibilities.

Three-dimensional modeling of the plasma arc in arc welding

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

Xu, G.; Tsai, H. L.; Hu, J.

2008-11-15

Most previous three-dimensional modeling on gas tungsten arc welding (GTAW) and gas metal arc welding (GMAW) focuses on the weld pool dynamics and assumes the two-dimensional axisymmetric Gaussian distributions for plasma arc pressure and heat flux. In this article, a three-dimensional plasma arc model is developed, and the distributions of velocity, pressure, temperature, current density, and magnetic field of the plasma arc are calculated by solving the conservation equations of mass, momentum, and energy, as well as part of the Maxwell's equations. This three-dimensional model can be used to study the nonaxisymmetric plasma arc caused by external perturbations such asmore » an external magnetic field. It also provides more accurate boundary conditions when modeling the weld pool dynamics. The present work lays a foundation for true three-dimensional comprehensive modeling of GTAW and GMAW including the plasma arc, weld pool, and/or electrode.« less

Modelling of Dynamic Rock Fracture Process with a Rate-Dependent Combined Continuum Damage-Embedded Discontinuity Model Incorporating Microstructure

NASA Astrophysics Data System (ADS)

Saksala, Timo

2016-10-01

This paper deals with numerical modelling of rock fracture under dynamic loading. For this end, a combined continuum damage-embedded discontinuity model is applied in finite element modelling of crack propagation in rock. In this model, the strong loading rate sensitivity of rock is captured by the rate-dependent continuum scalar damage model that controls the pre-peak nonlinear hardening part of rock behaviour. The post-peak exponential softening part of the rock behaviour is governed by the embedded displacement discontinuity model describing the mode I, mode II and mixed mode fracture of rock. Rock heterogeneity is incorporated in the present approach by random description of the rock mineral texture based on the Voronoi tessellation. The model performance is demonstrated in numerical examples where the uniaxial tension and compression tests on rock are simulated. Finally, the dynamic three-point bending test of a semicircular disc is simulated in order to show that the model correctly predicts the strain rate-dependent tensile strengths as well as the failure modes of rock in this test. Special emphasis is laid on modelling the loading rate sensitivity of tensile strength of Laurentian granite.

Three-Dimensional Printing of a Scalable Molecular Model and Orbital Kit for Organic Chemistry Teaching and Learning

ERIC Educational Resources Information Center

Penny, Matthew R.; Cao, Zi Jing; Patel, Bhaven; dos Santos, Bruno Sil; Asquith, Christopher R. M.; Szulc, Blanka R.; Rao, Zenobia X.; Muwaffak, Zaid; Malkinson, John P.; Hilton, Stephen T.

2017-01-01

Three-dimensional (3D) chemical models are a well-established learning tool used to enhance the understanding of chemical structures by converting two-dimensional paper or screen outputs into realistic three-dimensional objects. While commercial atom model kits are readily available, there is a surprising lack of large molecular and orbital models…

Excavating black hole continuum spectrum: Possible signatures of scalar hairs and of higher dimensions

NASA Astrophysics Data System (ADS)

Banerjee, Indrani; Chakraborty, Sumanta; SenGupta, Soumitra

2017-10-01

Continuum spectrum from black hole accretion disc holds enormous information regarding the strong gravity regime around the black hole and hence about the nature of gravitational interaction in extreme situations. Since in such strong gravity regime the dynamics of gravity should be modified from the Einstein-Hilbert one, its effect should be imprinted on the continuum spectrum originating from the black hole accretion. To explore the effects of these alternative theories on the black hole continuum spectrum in an explicit manner, we have discussed three alternative gravitational models having their origin in three distinct paradigms—(a) higher dimensions, (b) higher curvature gravity, and (c) generalized Horndeski theories. All of them can have signatures sculptured on the black hole continuum spectrum, distinct from the standard general relativistic scenario. Interestingly all these models exhibit black hole solutions with tidal charge parameter which in these alternative gravity scenarios can become negative, in sharp contrast with the Reissner-Nordström black hole. Using the observational data of optical luminosity for eighty Palomer Green quasars we have illustrated that the difference between the theoretical estimates and the observational results gets minimized for negative values of the tidal charge parameter. As a quantitative estimate of this result we concentrate on several error estimators, including reduced χ2 , Nash-Sutcliffe efficiency, index of agreement etc. Remarkably, all of them indicates a negative value of the tidal charge parameter, signaling the possibility of higher dimensions as well as scalar charge at play in those high gravity regimes.

A new methodology for determination of macroscopic transport parameters in drying porous media

NASA Astrophysics Data System (ADS)

Attari Moghaddam, A.; Kharaghani, A.; Tsotsas, E.; Prat, M.

2015-12-01

Two main approaches have been used to model the drying process: The first approach considers the partially saturated porous medium as a continuum and partial differential equations are used to describe the mass, momentum and energy balances of the fluid phases. The continuum-scale models (CM) obtained by this approach involve constitutive laws which require effective material properties, such as the diffusivity, permeability, and thermal conductivity which are often determined by experiments. The second approach considers the material at the pore scale, where the void space is represented by a network of pores (PN). Micro- or nanofluidics models used in each pore give rise to a large system of ordinary differential equations with degrees of freedom at each node of the pore network. In this work, the moisture transport coefficient (D), the pseudo desorption isotherm inside the network and at the evaporative surface are estimated from the post-processing of the three-dimensional pore network drying simulations for fifteen realizations of the pore space geometry from a given probability distribution. A slice sampling method is used in order to extract these parameters from PN simulations. The moisture transport coefficient obtained in this way is shown in Fig. 1a. The minimum of average D values demonstrates the transition between liquid dominated moisture transport region and vapor dominated moisture transport region; a similar behavior has been observed in previous experimental findings. A function is fitted to the average D values and then is fed into the non-linear moisture diffusion equation. The saturation profiles obtained from PN and CM simulations are shown in Fig. 1b. Figure 1: (a) extracted moisture transport coefficient during drying for fifteen realizations of the pore network, (b) average moisture profiles during drying obtained from PN and CM simulations.

Comparing methods for modelling spreading cell fronts.

PubMed

Markham, Deborah C; Simpson, Matthew J; Maini, Philip K; Gaffney, Eamonn A; Baker, Ruth E

2014-07-21

Spreading cell fronts play an essential role in many physiological processes. Classically, models of this process are based on the Fisher-Kolmogorov equation; however, such continuum representations are not always suitable as they do not explicitly represent behaviour at the level of individual cells. Additionally, many models examine only the large time asymptotic behaviour, where a travelling wave front with a constant speed has been established. Many experiments, such as a scratch assay, never display this asymptotic behaviour, and in these cases the transient behaviour must be taken into account. We examine the transient and the asymptotic behaviour of moving cell fronts using techniques that go beyond the continuum approximation via a volume-excluding birth-migration process on a regular one-dimensional lattice. We approximate the averaged discrete results using three methods: (i) mean-field, (ii) pair-wise, and (iii) one-hole approximations. We discuss the performance of these methods, in comparison to the averaged discrete results, for a range of parameter space, examining both the transient and asymptotic behaviours. The one-hole approximation, based on techniques from statistical physics, is not capable of predicting transient behaviour but provides excellent agreement with the asymptotic behaviour of the averaged discrete results, provided that cells are proliferating fast enough relative to their rate of migration. The mean-field and pair-wise approximations give indistinguishable asymptotic results, which agree with the averaged discrete results when cells are migrating much more rapidly than they are proliferating. The pair-wise approximation performs better in the transient region than does the mean-field, despite having the same asymptotic behaviour. Our results show that each approximation only works in specific situations, thus we must be careful to use a suitable approximation for a given system, otherwise inaccurate predictions could be made. Copyright © 2014 Elsevier Ltd. All rights reserved.

Lattice Rotation Patterns and Strain Gradient Effects in Face-Centered-Cubic Single Crystals Under Spherical Indentation

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

Gao, Y. F.; Larson, B. C.; Lee, J. H.

Strain gradient effects are commonly modeled as the origin of the size dependence of material strength, such as the dependence of indentation hardness on contact depth and spherical indenter radius. However, studies on the microstructural comparisons of experiments and theories are limited. First, we have extended a strain gradient Mises-plasticity model to its crystal plasticity version and implemented a finite element method to simulate the load-displacement response and the lattice rotation field of Cu single crystals under spherical indentation. The strain gradient simulations demonstrate that the forming of distinct sectors of positive and negative angles in the lattice rotation fieldmore » is governed primarily by the slip geometry and crystallographic orientations, depending only weakly on strain gradient effects, although hardness depends strongly on strain gradients. Second, the lattice rotation simulations are compared quantitatively with micron resolution, three-dimensional X-ray microscopy (3DXM) measurements of the lattice rotation fields under 100mN force, 100 mu m radius spherical indentations in < 111 >, < 110 >, and < 001 > oriented Cu single crystals. Third, noting the limitation of continuum strain gradient crystal plasticity models, two-dimensional discrete dislocation simulation results suggest that the hardness in the nanocontact regime is governed synergistically by a combination of strain gradients and source-limited plasticity. However, the lattice rotation field in the discrete dislocation simulations is found to be insensitive to these two factors but to depend critically on dislocation obstacle densities and strengths.« less

Modelling Thin Film Microbending: A Comparative Study of Three Different Approaches

NASA Astrophysics Data System (ADS)

Aifantis, Katerina E.; Nikitas, Nikos; Zaiser, Michael

2011-09-01

Constitutive models which describe crystal microplasticity in a continuum framework can be envisaged as average representations of the dynamics of dislocation systems. Thus, their performance needs to be assessed not only by their ability to correctly represent stress-strain characteristics on the specimen scale but also by their ability to correctly represent the evolution of internal stress and strain patterns. In the present comparative study we consider the bending of a free-standing thin film. We compare the results of 3D DDD simulations with those obtained from a simple 1D gradient plasticity model and a more complex dislocation-based continuum model. Both models correctly reproduce the nontrivial strain patterns predicted by DDD for the microbending problem.

Three-dimensional turbulent boundary layers; Proceedings of the Symposium, Berlin, West Germany, March 29-April 1, 1982

NASA Astrophysics Data System (ADS)

Fernholz, H. H.; Krause, E.

Papers are presented on recent research concerning three-dimensional turbulent boundary layers. Topics examined include experimental techniques in three-dimensional turbulent boundary layers, turbulence measurements in ship-model flow, measurements of Reynolds-stress profiles in the stern region of a ship model, the effects of crossflow on the vortex-layer-type three-dimensional flow separation, and wind tunnel investigations of some three-dimensional separated turbulent boundary layers. Also examined are three-dimensional boundary layers in turbomachines, the boundary layers on bodies of revolution spinning in axial flows, the effect on a developed turbulent boundary layer of a sudden local wall motion, three-dimensional turbulent boundary layer along a concave wall, the numerical computation of three-dimensional boundary layers, a numerical study of corner flows, three-dimensional boundary calculations in design aerodynamics, and turbulent boundary-layer calculations in design aerodynamics. For individual items see A83-47012 to A83-47036

Continuum modeling of the mechanical and thermal behavior of discrete large structures

NASA Technical Reports Server (NTRS)

Nayfeh, A. H.; Hefzy, M. S.

1980-01-01

In the present paper we introduce a rather straightforward construction procedure in order to derive continuum equivalence of discrete truss-like repetitive structures. Once the actual structure is specified, the construction procedure can be outlined by the following three steps: (a) all sets of parallel members are identified, (b) unidirectional 'effective continuum' properties are derived for each of these sets and (c) orthogonal transformations are finally used to determine the contribution of each set to the 'overall effective continuum' properties of the structure. Here the properties includes mechanical (stiffnesses), thermal (coefficients of thermal expansions) and material densities. Once expanded descriptions of the steps (b) and (c) are done, the construction procedure will be applied to a wide variety of discrete structures and the results will be compared with those of other existing methods.

An analytically solvable three-body break-up model problem in hyperspherical coordinates

NASA Astrophysics Data System (ADS)

Ancarani, L. U.; Gasaneo, G.; Mitnik, D. M.

2012-10-01

An analytically solvable S-wave model for three particles break-up processes is presented. The scattering process is represented by a non-homogeneous Coulombic Schrödinger equation where the driven term is given by a Coulomb-like interaction multiplied by the product of a continuum wave function and a bound state in the particles coordinates. The closed form solution is derived in hyperspherical coordinates leading to an analytic expression for the associated scattering transition amplitude. The proposed scattering model contains most of the difficulties encountered in real three-body scattering problem, e.g., non-separability in the electrons' spherical coordinates and Coulombic asymptotic behavior. Since the coordinates' coupling is completely different, the model provides an alternative test to that given by the Temkin-Poet model. The knowledge of the analytic solution provides an interesting benchmark to test numerical methods dealing with the double continuum, in particular in the asymptotic regions. An hyperspherical Sturmian approach recently developed for three-body collisional problems is used to reproduce to high accuracy the analytical results. In addition to this, we generalized the model generating an approximate wave function possessing the correct radial asymptotic behavior corresponding to an S-wave three-body Coulomb problem. The model allows us to explore the typical structure of the solution of a three-body driven equation, to identify three regions (the driven, the Coulombic and the asymptotic), and to analyze how far one has to go to extract the transition amplitude.

Modeling biogenic gas bubbles formation and migration in coarse sand

NASA Astrophysics Data System (ADS)

Ye, S.

2011-12-01

Shujun Ye Department of Hydrosciences, School of Earth Sciences and Engineering, Nanjing University, Nanjing 210093, China; sjye@nju.edu.cn Brent E. Sleep Department of Civil Engineering, University of Toronto, Toronto, ON, M5S 1A4 CANADA; sleep@ecf.utoronto.ca Methane gas generation in porous media was investigated in an anaerobic two-dimensional sand-filled cell. Inoculation of the lower portion of the cell with a methanogenic culture and addition of methanol to the bottom of the cell led to biomass growth and formation of a gas phase. The formation, migration, distribution and saturation of gases in the cell were visualized by the charge-coupled device (CCD) camera. Gas generated at the bottom of the cell in the biologically active zone moved upwards in discrete fingers, so that gas phase saturations (gas-filled fraction of void space) in the biologically active zone at the bottom of the cell did not exceed 40-50%, while gas accumulation at the top of the cell produced gas phase saturations as high as 80%. Macroscopic invasion percolation (MIP) at near pore scale[Glass, et al., 2001; Kueper and McWhorter, 1992]was used to model gas bubbles growth in porous media. The nonwetting phase migration pathway can be yielded directly by MIP. MIP was adopted to simulate the expansion, fragmentation, and mobilization of gas clusters in the cell. The production of gas, and gas phash saturations were simulated by a continuum model - compositional simulator (COMPSIM) [Sleep and Sykes, 1993]. So a combination of a continuum model and a MIP model was used to simulate the formation, fragmentation and migration of biogenic gas bubbles. Key words: biogenic gas; two dimensional; porous media; MIP; COMPSIM

Selection of trilateral continuums of life history strategies under food web interactions.

PubMed

Fujiwara, Masami

2018-03-14

The study of life history strategies has a long history in ecology and evolution, but determining the underlying mechanisms driving the evolution of life history variation and its consequences for population regulation remains a major challenge. In this study, a food web model with constant environmental conditions was used to demonstrate how multi-species consumer-resource interactions (food-web interactions) can create variation in the duration of the adult stage, age of maturation, and fecundity among species. The model included three key ecological processes: size-dependent species interactions, energetics, and transition among developmental stages. Resultant patterns of life history variation were consistent with previous empirical observations of the life history strategies of aquatic organisms referred to as periodic, equilibrium, and opportunistic strategies (trilateral continuums of life history strategies). Results from the simulation model suggest that these three life history strategies can emerge from food web interactions even when abiotic environmental conditions are held constant.

Fulde-Ferrell-Larkin-Ovchinnikov correlation and free fluids in the one-dimensional attractive Hubbard model

NASA Astrophysics Data System (ADS)

Cheng, Song; Yu, Yi-Cong; Batchelor, M. T.; Guan, Xi-Wen

2018-03-01

In this Rapid Communication, we show that low-energy macroscopic properties of the one-dimensional (1D) attractive Hubbard model exhibit two fluids of bound pairs and of unpaired fermions. Using the thermodynamic Bethe ansatz equations of the model, we first determine the low-temperature phase diagram and analytically calculate the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) pairing correlation function for the partially polarized phase. We then show that for such an FFLO-like state in the low-density regime the effective chemical potentials of bound pairs and unpaired fermions behave like two free fluids. Consequently, the susceptibility, compressibility, and specific heat obey simple additivity rules, indicating the "free" particle nature of interacting fermions on a 1D lattice. In contrast to the continuum Fermi gases, the correlation critical exponents and thermodynamics of the attractive Hubbard model essentially depend on two lattice interacting parameters. Finally, we study scaling functions, the Wilson ratio and susceptibility, which provide universal macroscopic properties and dimensionless constants of interacting fermions at low energy.

On the derivation of approximations to cellular automata models and the assumption of independence.

PubMed

Davies, K J; Green, J E F; Bean, N G; Binder, B J; Ross, J V

2014-07-01

Cellular automata are discrete agent-based models, generally used in cell-based applications. There is much interest in obtaining continuum models that describe the mean behaviour of the agents in these models. Previously, continuum models have been derived for agents undergoing motility and proliferation processes, however, these models only hold under restricted conditions. In order to narrow down the reason for these restrictions, we explore three possible sources of error in deriving the model. These sources are the choice of limiting arguments, the use of a discrete-time model as opposed to a continuous-time model and the assumption of independence between the state of sites. We present a rigorous analysis in order to gain a greater understanding of the significance of these three issues. By finding a limiting regime that accurately approximates the conservation equation for the cellular automata, we are able to conclude that the inaccuracy between our approximation and the cellular automata is completely based on the assumption of independence. Copyright © 2014 Elsevier Inc. All rights reserved.

Numerical modelling of bedload sediment transport

NASA Astrophysics Data System (ADS)

Langlois, Vincent J.

2010-05-01

We present a numerical study of sediment transport in the bedload regime. Classical bedload transport laws only describe the variation of the vertically integrated flux of grains as a function of the Shields number. However, these relations are only valid if the moving layer of the bed is at equilibrium with the external flow. Besides, they do not contain enough information for many geomorphological applications. For instance, understanding inertial effects in the moving bed requires models that are able to account for the variability of hydrodynamical conditions, and the discrete nature of the sediment material. We developped a numerical modelling of the behaviour of a three-dimensional bed of grains sheared by a unidirectional fluid flow. These simulations are based on a combination of discrete and continuum approaches: sediment particles are modelled by hard spheres interacting through simple contact forces, whereas the fluid flow is described by a 'mean field' model. Both the drag exerted on grains by the fluid and the retroactive effect of the presence of grains on the flow are accounted for, allowing the system to converge to its equilibrium state (no assumption is made on the fluid velocity profile inside the layer of moving grains). Above the motion threshold, the variation of the flux of grains in the steady state is found to vary like the cube of the Shields number (as predicted by Bagnold). Besides, our simulations allow us to obtain new insights into the detailed mechanisms of bedload transport, by giving access to non-integral quantities, such as the trajectories of each individual grains, the detailed velocity and packing fraction profiles inside the granular bed, etc. It is therefore possible to investigate some effects that are not accounted for in usual continuum models, such as the polydispersity of grains, the ageing of the bed, the response to a variation of the flowrate, etc.

Quality Inspection and Analysis of Three-Dimensional Geographic Information Model Based on Oblique Photogrammetry

NASA Astrophysics Data System (ADS)

Dong, S.; Yan, Q.; Xu, Y.; Bai, J.

2018-04-01

In order to promote the construction of digital geo-spatial framework in China and accelerate the construction of informatization mapping system, three-dimensional geographic information model emerged. The three-dimensional geographic information model based on oblique photogrammetry technology has higher accuracy, shorter period and lower cost than traditional methods, and can more directly reflect the elevation, position and appearance of the features. At this stage, the technology of producing three-dimensional geographic information models based on oblique photogrammetry technology is rapidly developing. The market demand and model results have been emerged in a large amount, and the related quality inspection needs are also getting larger and larger. Through the study of relevant literature, it is found that there are a lot of researches on the basic principles and technical characteristics of this technology, and relatively few studies on quality inspection and analysis. On the basis of summarizing the basic principle and technical characteristics of oblique photogrammetry technology, this paper introduces the inspection contents and inspection methods of three-dimensional geographic information model based on oblique photogrammetry technology. Combined with the actual inspection work, this paper summarizes the quality problems of three-dimensional geographic information model based on oblique photogrammetry technology, analyzes the causes of the problems and puts forward the quality control measures. It provides technical guidance for the quality inspection of three-dimensional geographic information model data products based on oblique photogrammetry technology in China and provides technical support for the vigorous development of three-dimensional geographic information model based on oblique photogrammetry technology.

Eating-related Intrusive Thoughts Inventory: exploring the dimensionality of eating disorder symptoms.

PubMed

Perpiñá, Conxa; Roncero, María; Belloch, Amparo; Sánchez-Reales, Sergio

2011-08-01

The aims of this study were, first, to examine the structure and validity of the Eating-related Intrusive Thoughts Inventory (INPIAS), a self-report questionnaire designed to assess eating disorders related to intrusive thoughts (EDITs), and second, to explore the existence of a continuum ranging from normal to abnormal thought intrusions related to eating, weight, and shape. Participants were 574 (408 women) nonclinical community individuals. Analyses revealed that EDITs can be clustered into three sets: appearance-dieting, need to exercise, and thoughts-impulses related to eating disorders. EDITs' consequences showed a two-factor structure: emotional consequences/personal meaning and thought-action fusion responsibility; and four factors of strategies: "anxiety," suppression, obsessive-compulsive rituals, and distraction. The sample was then divided according to reported restrained eating. The High dietary restraint group reported a higher frequency of EDITs, whereas differences in the other factors were mediated by depression, anxiety, and obsessionality. The results suggest that eating disorder-related cognitions are experienced by nonclinical individuals, and distributed on a continuum.

Three-dimensional hydrodynamical CO5BOLD model atmospheres of red giant stars. VI. First chromosphere model of a late-type giant

NASA Astrophysics Data System (ADS)

Wedemeyer, Sven; Kučinskas, Arūnas; Klevas, Jonas; Ludwig, Hans-Günter

2017-10-01

Aims: Although observational data unequivocally point to the presence of chromospheres in red giant stars, no attempts have been made so far to model them using 3D hydrodynamical model atmospheres. We therefore compute an exploratory 3D hydrodynamical model atmosphere for a cool red giant in order to study the dynamical and thermodynamic properties of its chromosphere, as well as the influence of the chromosphere on its observable properties. Methods: Three-dimensional radiation hydrodynamics simulations are carried out with the CO5BOLD model atmosphere code for a star with the atmospheric parameters (Teff ≈ 4010 K, log g = 1.5, [ M / H ] = 0.0), which are similar to those of the K-type giant star Aldebaran (α Tau). The computational domain extends from the upper convection zone into the chromosphere (7.4 ≥ log τRoss ≥ - 12.8) and covers several granules in each horizontal direction. Using this model atmosphere, we compute the emergent continuum intensity maps at different wavelengths, spectral line profiles of Ca II K, the Ca II infrared triplet line at 854.2 nm, and Hα, as well as the spectral energy distribution (SED) of the emergent radiative flux. Results: The initial model quickly develops a dynamical chromosphere that is characterised by propagating and interacting shock waves. The peak temperatures in the chromospheric shock fronts reach values of up to 5000 K, although the shock fronts remain quite narrow. Similar to the Sun, the gas temperature distribution in the upper layers of red giant stars is composed of a cool component due to adiabatic cooling in the expanding post-shock regions and a hot component due to shock waves. For this red giant model, the hot component is a rather flat high-temperature tail, which nevertheless affects the resulting average temperatures significantly. Conclusions: The simulations show that the atmospheres of red giant stars are dynamic and intermittent. Consequently, many observable properties cannot be reproduced with static 1D models, but require advanced 3D hydrodynamical modelling. Furthermore, including a chromosphere in the models might produce significant contributions to the emergent UV flux.

Continuum modeling of large lattice structures: Status and projections

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Mikulas, Martin M., Jr.

1988-01-01

The status and some recent developments of continuum modeling for large repetitive lattice structures are summarized. Discussion focuses on a number of aspects including definition of an effective substitute continuum; characterization of the continuum model; and the different approaches for generating the properties of the continuum, namely, the constitutive matrix, the matrix of mass densities, and the matrix of thermal coefficients. Also, a simple approach is presented for generating the continuum properties. The approach can be used to generate analytic and/or numerical values of the continuum properties.

Concentration data and dimensionality in groundwater models: evaluation using inverse modelling

USGS Publications Warehouse

Barlebo, H.C.; Hill, M.C.; Rosbjerg, D.; Jensen, K.H.

1998-01-01

A three-dimensional inverse groundwater flow and transport model that fits hydraulic-head and concentration data simultaneously using nonlinear regression is presented and applied to a layered sand and silt groundwater system beneath the Grindsted Landfill in Denmark. The aquifer is composed of rather homogeneous hydrogeologic layers. Two issues common to groundwater flow and transport modelling are investigated: 1) The accuracy of simulated concentrations in the case of calibration with head data alone; and 2) The advantages and disadvantages of using a two-dimensional cross-sectional model instead of a three-dimensional model to simulate contaminant transport when the source is at the land surface. Results show that using only hydraulic heads in the nonlinear regression produces a simulated plume that is profoundly different from what is obtained in a calibration using both hydraulic-head and concentration data. The present study provides a well-documented example of the differences that can occur. Representing the system as a two-dimensional cross-section obviously omits some of the system dynamics. It was, however, possible to obtain a simulated plume cross-section that matched the actual plume cross-section well. The two-dimensional model execution times were about a seventh of those for the three-dimensional model, but some difficulties were encountered in representing the spatially variable source concentrations and less precise simulated concentrations were calculated by the two-dimensional model compared to the three-dimensional model. Summed up, the present study indicates that three dimensional modelling using both hydraulic heads and concentrations in the calibration should be preferred in the considered type of transport studies.

Efficient Bayesian hierarchical functional data analysis with basis function approximations using Gaussian-Wishart processes.

PubMed

Yang, Jingjing; Cox, Dennis D; Lee, Jong Soo; Ren, Peng; Choi, Taeryon

2017-12-01

Functional data are defined as realizations of random functions (mostly smooth functions) varying over a continuum, which are usually collected on discretized grids with measurement errors. In order to accurately smooth noisy functional observations and deal with the issue of high-dimensional observation grids, we propose a novel Bayesian method based on the Bayesian hierarchical model with a Gaussian-Wishart process prior and basis function representations. We first derive an induced model for the basis-function coefficients of the functional data, and then use this model to conduct posterior inference through Markov chain Monte Carlo methods. Compared to the standard Bayesian inference that suffers serious computational burden and instability in analyzing high-dimensional functional data, our method greatly improves the computational scalability and stability, while inheriting the advantage of simultaneously smoothing raw observations and estimating the mean-covariance functions in a nonparametric way. In addition, our method can naturally handle functional data observed on random or uncommon grids. Simulation and real studies demonstrate that our method produces similar results to those obtainable by the standard Bayesian inference with low-dimensional common grids, while efficiently smoothing and estimating functional data with random and high-dimensional observation grids when the standard Bayesian inference fails. In conclusion, our method can efficiently smooth and estimate high-dimensional functional data, providing one way to resolve the curse of dimensionality for Bayesian functional data analysis with Gaussian-Wishart processes. © 2017, The International Biometric Society.

An analytical and experimental study of the behavior of semi-infinite metal targets under hypervelocity impact

NASA Technical Reports Server (NTRS)

Chakrapani, B.; Rand, J. L.

1971-01-01

The material strength and strain rate effects associated with the hypervelocity impact problem were considered. A yield criterion involving the second and third invariants of the stress deviator and a strain rate sensitive constitutive equation were developed. The part of total deformation which represents change in shape is attributable to the stress deviator. Constitutive equation is a means for analytically describing the mechanical response of a continuum under study. The accuracy of the yield criterion was verified utilizing the published two and three dimensional experimental data. The constants associated with the constitutive equation were determined from one dimensional quasistatic and dynamic experiments. Hypervelocity impact experiments were conducted on semi-infinite targets of 1100 aluminum, 6061 aluminum alloy, mild steel, and commercially pure lead using spherically shaped and normally incident pyrex projectiles.

Toward a constructive physics

NASA Astrophysics Data System (ADS)

Noyes, H. P.; Gefwert, C.; Manthey, M. J.

1983-06-01

The discretization of physics which has occurred thanks to the advent of quantum mechanics has replaced the continuum standards of time, length and mass which brought physics to maturity by counting. The (arbitrary in the sense of conventional dimensional analysis) standards were replaced by three dimensional constants: the limiting velocity c, the unit of action h, and either a reference mass (eg m/sub p/) or a coupling constant (et G related to mass scale by hc/(2(LC OMEGA)Gm/sub/p(2)) approx. - 1.7 x 10 to the 38th power. Once these physical and experimental reference standards are accepted, the conventional approach is to connect physics to mathematics by means of dimensionless ratios. A program for physics which will meet these rigid criteria while preserving, in so far as possible, the successes that conventional physics has already achieved is outlined.

Dimensional reduction for a SIR type model

NASA Astrophysics Data System (ADS)

Cahyono, Edi; Soeharyadi, Yudi; Mukhsar

2018-03-01

Epidemic phenomena are often modeled in the form of dynamical systems. Such model has also been used to model spread of rumor, spread of extreme ideology, and dissemination of knowledge. Among the simplest is SIR (susceptible, infected and recovered) model, a model that consists of three compartments, and hence three variables. The variables are functions of time which represent the number of subpopulations, namely suspect, infected and recovery. The sum of the three is assumed to be constant. Hence, the model is actually two dimensional which sits in three-dimensional ambient space. This paper deals with the reduction of a SIR type model into two variables in two-dimensional ambient space to understand the geometry and dynamics better. The dynamics is studied, and the phase portrait is presented. The two dimensional model preserves the equilibrium and the stability. The model has been applied for knowledge dissemination, which has been the interest of knowledge management.

Summary of mathematical models for a conventional and vertical junction photoconverter

NASA Technical Reports Server (NTRS)

Heinbockel, J. H.

1986-01-01

The geometry and computer programming for mathematical models of a one-dimensional conventional photoconverter, a one-dimensional vertical junction photoconverter, a three-dimensional conventinal photoconverter, and a three-dimensional vertical junction solar cell are discussed.

The benefits of 3D modelling and animation in medical teaching.

PubMed

Vernon, Tim; Peckham, Daniel

2002-12-01

Three-dimensional models created using materials such as wax, bronze and ivory, have been used in the teaching of medicine for many centuries. Today, computer technology allows medical illustrators to create virtual three-dimensional medical models. This paper considers the benefits of using still and animated output from computer-generated models in the teaching of medicine, and examines how three-dimensional models are made.

Antibonding ground state of adatom molecules in bulk Dirac semimetals

NASA Astrophysics Data System (ADS)

Marques, Y.; Obispo, A. E.; Ricco, L. S.; de Souza, M.; Shelykh, I. A.; Seridonio, A. C.

2017-07-01

The ground state of the diatomic molecules in nature is inevitably bonding, and its first excited state is antibonding. We demonstrate theoretically that, for a pair of distant adatoms placed buried in three-dimensional-Dirac semimetals, this natural order of the states can be reversed and an antibonding ground state occurs at the lowest energy of the so-called bound states in the continuum. We propose an experimental protocol with the use of a scanning tunneling microscope tip to visualize the topographic map of the local density of states on the surface of the system to reveal the emerging physics.

Photoionization of High-altitude Gas in a Supernova-driven Turbulent Interstellar Medium

NASA Astrophysics Data System (ADS)

Wood, Kenneth; Hill, Alex S.; Joung, M. Ryan; Mac Low, Mordecai-Mark; Benjamin, Robert A.; Haffner, L. Matthew; Reynolds, R. J.; Madsen, G. J.

2010-10-01

We investigate models for the photoionization of the widespread diffuse ionized gas (DIG) in galaxies. In particular, we address the long standing question of the penetration of Lyman continuum photons from sources close to the galactic midplane to large heights in the galactic halo. We find that recent hydrodynamical simulations of a supernova-driven interstellar medium (ISM) have low-density paths and voids that allow for ionizing photons from midplane OB stars to reach and ionize gas many kiloparsecs above the midplane. We find that ionizing fluxes throughout our simulation grids are larger than predicted by one-dimensional slab models, thus allowing for photoionization by O stars of low altitude neutral clouds in the Galaxy that are also detected in Hα. In previous studies of such clouds, the photoionization scenario had been rejected and the Hα had been attributed to enhanced cosmic ray ionization or scattered light from midplane H II regions. We do find that the emission measure distributions in our simulations are wider than those derived from Hα observations in the Milky Way. In addition, the horizontally averaged height dependence of the gas density in the hydrodynamical models is lower than inferred in the Galaxy. These discrepancies are likely due to the absence of magnetic fields in the hydrodynamic simulations and we discuss how magnetohydrodynamic effects may reconcile models and observations. Nevertheless, we anticipate that the inclusion of magnetic fields in the dynamical simulations will not alter our primary finding that midplane OB stars are capable of producing high-altitude DIG in a realistic three-dimensional ISM.

Efficient Basis Formulation for (1 +1 )-Dimensional SU(2) Lattice Gauge Theory: Spectral Calculations with Matrix Product States

NASA Astrophysics Data System (ADS)

Bañuls, Mari Carmen; Cichy, Krzysztof; Cirac, J. Ignacio; Jansen, Karl; Kühn, Stefan

2017-10-01

We propose an explicit formulation of the physical subspace for a (1 +1 )-dimensional SU(2) lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

Evaluating the Dimensionality of Self-Determination Theory's Relative Autonomy Continuum.

PubMed

Sheldon, Kennon M; Osin, Evgeny N; Gordeeva, Tamara O; Suchkov, Dmitry D; Sychev, Oleg A

2017-09-01

We conducted a theoretical and psychometric evaluation of self-determination theory's "relative autonomy continuum" (RAC), an important aspect of the theory whose validity has recently been questioned. We first derived a Comprehensive Relative Autonomy Index (C-RAI) containing six subscales and 24 items, by conducting a paired paraphrase content analysis of existing RAI measures. We administered the C-RAI to multiple U.S. and Russian samples, assessing motivation to attend class, study a major, and take responsibility. Item-level and scale-level multidimensional scaling analyses, confirmatory factor analyses, and simplex/circumplex modeling analyses reaffirmed the validity of the RAC, across multiple samples, stems, and studies. Validation analyses predicting subjective well-being and trait autonomy from the six separate subscales, in combination with various higher order composites (weighted and unweighted), showed that an aggregate unweighted RAI score provides the most unbiased and efficient indicator of the overall quality of motivation within the behavioral domain being assessed.

Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering

PubMed Central

Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar

2017-01-01

There has been significant recent interest in differentiating multicomponent solid forms, such as salts and cocrystals, and, where appropriate, in determining the position of the proton in the X—H⋯A—Y X −⋯H—A +—Y continuum in these systems, owing to the direct relationship of this property to the clinical, regulatory and legal requirements for an active pharmaceutical ingredient (API). In the present study, solid forms of simple cocrystals/salts were investigated by high-field (700 MHz) solid-state NMR (ssNMR) using samples with naturally abundant 15N nuclei. Four model compounds in a series of prototypical salt/cocrystal/continuum systems exhibiting {PyN⋯H—O—}/{PyN+—H⋯O−} hydrogen bonds (Py is pyridine) were selected and prepared. The crystal structures were determined at both low and room temperature using X-ray diffraction. The H-atom positions were determined by measuring the 15N—1H distances through 15N-1H dipolar interactions using two-dimensional inversely proton-detected cross polarization with variable contact-time (invCP-VC) 1H→15N→1H experiments at ultrafast (νR ≥ 60–70 kHz) magic angle spinning (MAS) frequency. It is observed that this method is sensitive enough to determine the proton position even in a continuum where an ambiguity of terminology for the solid form often arises. This work, while carried out on simple systems, has implications in the pharmaceutical industry where the salt/cocrystal/continuum condition of APIs is considered seriously. PMID:28875033

Exploring the salt-cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering.

PubMed

Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R

2017-07-01

There has been significant recent interest in differentiating multicomponent solid forms, such as salts and cocrystals, and, where appropriate, in determining the position of the proton in the X -H⋯ A - Y X - ⋯H- A + - Y continuum in these systems, owing to the direct relationship of this property to the clinical, regulatory and legal requirements for an active pharmaceutical ingredient (API). In the present study, solid forms of simple cocrystals/salts were investigated by high-field (700 MHz) solid-state NMR (ssNMR) using samples with naturally abundant 15 N nuclei. Four model compounds in a series of prototypical salt/cocrystal/continuum systems exhibiting {PyN⋯H-O-}/{PyN + -H⋯O - } hydrogen bonds (Py is pyridine) were selected and prepared. The crystal structures were determined at both low and room temperature using X-ray diffraction. The H-atom positions were determined by measuring the 15 N- 1 H distances through 15 N- 1 H dipolar interactions using two-dimensional inversely proton-detected cross polarization with variable contact-time (invCP-VC) 1 H→ 15 N→ 1 H experiments at ultrafast (ν R ≥ 60-70 kHz) magic angle spinning (MAS) frequency. It is observed that this method is sensitive enough to determine the proton position even in a continuum where an ambiguity of terminology for the solid form often arises. This work, while carried out on simple systems, has implications in the pharmaceutical industry where the salt/cocrystal/continuum condition of APIs is considered seriously.

[Construction of platform on the three-dimensional finite element model of the dentulous mandibular body of a normal person].

PubMed

Gong, Lu-Lu; Zhu, Jing; Ding, Zu-Quan; Li, Guo-Qiang; Wang, Li-Ming; Yan, Bo-Yong

2008-04-01

To develop a method to construct a three-dimensional finite element model of the dentulous mandibular body of a normal person. A series of pictures with the interval of 0.1 mm were taken by CT scanning. After extracting the coordinates of key points of some pictures by the procedure, we used a C program to process the useful data, and constructed a platform of the three-dimensional finite element model of the dentulous mandibular body with the Ansys software for finite element analysis. The experimental results showed that the platform of the three-dimensional finite element model of the dentulous mandibular body was more accurate and applicable. The exact three-dimensional shape of model was well constructed, and each part of this model, such as one single tooth, can be deleted, which can be used to emulate various tooth-loss clinical cases. The three-dimensional finite element model is constructed with life-like shapes of dental cusps. Each part of this model can be easily removed. In conclusion, this experiment provides a good platform of biomechanical analysis on various tooth-loss clinical cases.

Actomyosin-based tissue folding requires a multicellular myosin gradient

PubMed Central

Miller, Pearson W.; Chanet, Soline; Stoop, Norbert; Dunkel, Jörn

2017-01-01

Tissue folding promotes three-dimensional (3D) form during development. In many cases, folding is associated with myosin accumulation at the apical surface of epithelial cells, as seen in the vertebrate neural tube and the Drosophila ventral furrow. This type of folding is characterized by constriction of apical cell surfaces, and the resulting cell shape change is thought to cause tissue folding. Here, we use quantitative microscopy to measure the pattern of transcription, signaling, myosin activation and cell shape in the Drosophila mesoderm. We found that cells within the ventral domain accumulate different amounts of active apical non-muscle myosin 2 depending on the distance from the ventral midline. This gradient in active myosin depends on a newly quantified gradient in upstream signaling proteins. A 3D continuum model of the embryo with induced contractility demonstrates that contractility gradients, but not contractility per se, promote changes to surface curvature and folding. As predicted by the model, experimental broadening of the myosin domain in vivo disrupts tissue curvature where myosin is uniform. Our data argue that apical contractility gradients are important for tissue folding. PMID:28432215

A persistent homology approach to collective behavior in insect swarms

NASA Astrophysics Data System (ADS)

Sinhuber, Michael; Ouellette, Nicholas T.

Various animals from birds and fish to insects tend to form aggregates, displaying self-organized collective swarming behavior. Due to their frequent occurrence in nature and their implications for engineered, collective systems, these systems have been investigated and modeled thoroughly for decades. Common approaches range from modeling them with coupled differential equations on the individual level up to continuum approaches. We present an alternative, topology-based approach for describing swarming behavior at the macroscale rather than the microscale. We study laboratory swarms of Chironomus riparius, a flying, non-biting midge. To obtain the time-resolved three-dimensional trajectories of individual insects, we use a multi-camera stereoimaging and particle-tracking setup. To investigate the swarming behavior in a topological sense, we employ a persistent homology approach to identify persisting structures and features in the insect swarm that elude a direct, ensemble-averaging approach. We are able to identify features of sub-clusters in the swarm that show behavior distinct from that of the remaining swarm members. The coexistence of sub-swarms with different features resembles some non-biological systems such as active colloids or even thermodynamic systems.

Spin dynamics and exchange interactions in CuO measured by neutron scattering

NASA Astrophysics Data System (ADS)

Jacobsen, H.; Gaw, S. M.; Princep, A. J.; Hamilton, E.; Tóth, S.; Ewings, R. A.; Enderle, M.; Wheeler, E. M. Hétroy; Prabhakaran, D.; Boothroyd, A. T.

2018-04-01

The magnetic properties of CuO encompass several contemporary themes in condensed-matter physics, including quantum magnetism, magnetic frustration, magnetically-induced ferroelectricity, and orbital currents. Here we report polarized and unpolarized neutron inelastic scattering measurements which provide a comprehensive map of the cooperative spin dynamics in the low-temperature antiferromagnetic (AFM) phase of CuO throughout much of the Brillouin zone. At high energies (E ≳100 meV ), the spectrum displays continuum features consistent with the des Cloizeax-Pearson dispersion for an ideal S =1/2 Heisenberg AFM chain. At lower energies, the spectrum becomes more three dimensional, and we find that a linear spin-wave model for a Heisenberg AFM provides a very good description of the data, allowing for an accurate determination of the relevant exchange constants in an effective spin Hamiltonian for CuO. In the high-temperature helicoidal phase, there are features in the measured low-energy spectrum that we could not reproduce with a spin-only model. We discuss how these might be associated with the magnetically-induced multiferroic behavior observed in this phase.

Response to perturbations for granular flow in a hopper

NASA Astrophysics Data System (ADS)

Wambaugh, John F.; Behringer, Robert P.; Matthews, John V.; Gremaud, Pierre A.

2007-11-01

We experimentally investigate the response to perturbations of circular symmetry for dense granular flow inside a three-dimensional right-conical hopper. These experiments consist of particle tracking velocimetry for the flow at the outer boundary of the hopper. We are able to test commonly used constitutive relations and observe granular flow phenomena that we can model numerically. Unperturbed conical hopper flow has been described as a radial velocity field with no azimuthal component. Guided by numerical models based upon continuum descriptions, we find experimental evidence for secondary, azimuthal circulation in response to perturbation of the symmetry with respect to gravity by tilting. For small perturbations we can discriminate between constitutive relations, based upon the agreement between the numerical predictions they produce and our experimental results. We find that the secondary circulation can be suppressed as wall friction is varied, also in agreement with numerical predictions. For large tilt angles we observe the abrupt onset of circulation for parameters where circulation was previously suppressed. Finally, we observe that for large tilt angles the fluctuations in velocity grow, independent of the onset of circulation.

Numerical optimization of Ignition and Growth reactive flow modeling for PAX2A

NASA Astrophysics Data System (ADS)

Baker, E. L.; Schimel, B.; Grantham, W. J.

1996-05-01

Variable metric nonlinear optimization has been successfully applied to the parameterization of unreacted and reacted products thermodynamic equations of state and reactive flow modeling of the HMX based high explosive PAX2A. The NLQPEB nonlinear optimization program has been recently coupled to the LLNL developed two-dimensional high rate continuum modeling programs DYNA2D and CALE. The resulting program has the ability to optimize initial modeling parameters. This new optimization capability was used to optimally parameterize the Ignition and Growth reactive flow model to experimental manganin gauge records. The optimization varied the Ignition and Growth reaction rate model parameters in order to minimize the difference between the calculated pressure histories and the experimental pressure histories.

Differential continuum damage mechanics models for creep and fatigue of unidirectional metal matrix composites

NASA Technical Reports Server (NTRS)

Arnold, S. M.; Kruch, S.

1991-01-01

Three multiaxial isothermal continuum damage mechanics models for creep, fatigue, and creep/fatigue interaction of a unidirectional metal matrix composite volume element are presented, only one of which will be discussed in depth. Each model is phenomenological and stress based, with varying degrees of complexity to accurately predict the initiation and propagation of intergranular and transgranular defects over a wide range of loading conditions. The development of these models is founded on the definition of an initially transversely isotropic fatigue limit surface, static fracture surface, normalized stress amplitude function and isochronous creep damage failure surface, from which both fatigue and creep damage evolutionary laws can be obtained. The anisotropy of each model is defined through physically meaningful invariants reflecting the local stress and material orientation. All three transversely isotropic models have been shown, when taken to their isotropic limit, to directly simplify to previously developed and validated creep and fatigue continuum damage theories. Results of a nondimensional parametric study illustrate (1) the flexibility of the present formulation when attempting to characterize a large class of composite materials, and (2) its ability to predict anticipated qualitative trends in the fatigue behavior of unidirectional metal matrix composites. Additionally, the potential for the inclusion of various micromechanical effects (e.g., fiber/matrix bond strength, fiber volume fraction, etc.), into the phenomenological anisotropic parameters is noted, as well as a detailed discussion regarding the necessary exploratory and characterization experiments needed to utilize the featured damage theories.

One-dimensional wave propagation in particulate suspensions

NASA Technical Reports Server (NTRS)

Rochelle, S. G.; Peddieson, J., Jr.

1976-01-01

One-dimensional small-amplitude wave motion in a two-phase system consisting of an inviscid gas and a cloud of suspended particles is analyzed using a continuum theory of suspensions. Laplace transform methods are used to obtain several approximate solutions. Properties of acoustic wave motion in particulate suspensions are inferred from these solutions.

Continuum models of cohesive stochastic swarms: The effect of motility on aggregation patterns

NASA Astrophysics Data System (ADS)

Hughes, Barry D.; Fellner, Klemens

2013-10-01

Mathematical models of swarms of moving agents with non-local interactions have many applications and have been the subject of considerable recent interest. For modest numbers of agents, cellular automata or related algorithms can be used to study such systems, but in the present work, instead of considering discrete agents, we discuss a class of one-dimensional continuum models, in which the agents possess a density ρ(x,t) at location x at time t. The agents are subject to a stochastic motility mechanism and to a global cohesive inter-agent force. The motility mechanisms covered include classical diffusion, nonlinear diffusion (which may be used to model, in a phenomenological way, volume exclusion or other short-range local interactions), and a family of linear redistribution operators related to fractional diffusion equations. A variety of exact analytic results are discussed, including equilibrium solutions and criteria for unimodality of equilibrium distributions, full time-dependent solutions, and transitions between asymptotic collapse and asymptotic escape. We address the behaviour of the system for diffusive motility in the low-diffusivity limit for both smooth and singular interaction potentials and show how this elucidates puzzling behaviour in fully deterministic non-local particle interaction models. We conclude with speculative remarks about extensions and applications of the models.

Punishment insensitivity in early childhood: A developmental, dimensional approach

PubMed Central

Nichols, Sara R.; Briggs-Gowan, Margaret; Estabrook, Ryne; Burns, James; Kestler, Jacqueline; Berman, Grace; Henry, David; Wakschlag, Lauren

2014-01-01

Impairment in learning from punishment ("punishment insensitivity") is an established feature of severe antisocial behavior in adults and youth but it has not been well studied as a developmental phenomenon. In early childhood, differentiating a normal:abnormal spectrum of punishment insensitivity is key for distinguishing normative misbehavior from atypical manifestations. This study employed a novel measure, the Multidimensional Assessment Profile of Disruptive Behavior (MAPDB), to examine the distribution, dimensionality, and external validity of punishment insensitivity in a large, demographically diverse community sample of preschoolers (three-five years) recruited from pediatric clinics (N=1,855). Caregivers completed surveys from which a seven-item Punishment Insensitivity scale was derived. Findings indicated that Punishment Insensitivity behaviors are relatively common in young children, with at least 50% of preschoolers exhibiting them sometimes. Item response theory analyses revealed a Punishment Insensitivity spectrum. Items varied along a severity continuum: most items needed to occur "Often" in order to be severe and behaviors that were qualitatively atypical or intense were more severe. Although there were item-level differences across sociodemographic groups, these were small. Construct, convergent, and divergent validity were demonstrated via association to low concern for others and noncompliance, motivational regulation, and a disruptive family context. Incremental clinical utility was demonstrated in relation to impairment. Early childhood punishment insensitivity varies along a severity continuum and is atypical when it predominates. Implications for understanding the phenomenology of emergent disruptive behavior are discussed. PMID:25425187

Interaction of N-vortex structures in a continuum, including atmosphere, hydrosphere and plasma

NASA Astrophysics Data System (ADS)

Belashov, Vasily Yu.

2017-10-01

The results of analysis and numerical simulation of evolution and interaction of the N-vortex structures of various configuration and different vorticities in the continuum including atmosphere, hydrosphere and plasma are presented. It is found that in dependence on initial conditions the regimes of weak interaction with quasi-stationary evolution and active interaction with the "phase intermixing", when the evolution can lead to formation of complex forms of vorticity regions, are realized in the N-vortex systems. For the 2-vortex interaction the generalized critical parameter determining qualitative character of interaction of vortices is introduced. It is shown that for given initial conditions its value divides modes of active interaction and quasi-stationary evolution. The results of simulation of evolution and interaction of the two-dimensional and three-dimensional vortex structures, including such phenomena as dynamics of the atmospheric synoptic vortices of cyclonic types and tornado, hydrodynamic 4-vortex interaction and also interaction in the systems of a type of "hydrodynamic vortex - dust particles" are presented. The applications of undertaken approach to the problems of such plasma systems as streams of charged particles in a uniform magnetic field B and plasma clouds in the ionosphere are considered. It is shown that the results obtained have obvious applications in studies of the dynamics of the vortex structures dynamics in atmosphere, hydrosphere and plasma.

Two-dimensional strain gradient damage modeling: a variational approach

NASA Astrophysics Data System (ADS)

Placidi, Luca; Misra, Anil; Barchiesi, Emilio

2018-06-01

In this paper, we formulate a linear elastic second gradient isotropic two-dimensional continuum model accounting for irreversible damage. The failure is defined as the condition in which the damage parameter reaches 1, at least in one point of the domain. The quasi-static approximation is done, i.e., the kinetic energy is assumed to be negligible. In order to deal with dissipation, a damage dissipation term is considered in the deformation energy functional. The key goal of this paper is to apply a non-standard variational procedure to exploit the damage irreversibility argument. As a result, we derive not only the equilibrium equations but, notably, also the Karush-Kuhn-Tucker conditions. Finally, numerical simulations for exemplary problems are discussed as some constitutive parameters are varying, with the inclusion of a mesh-independence evidence. Element-free Galerkin method and moving least square shape functions have been employed.

Comparison of SOM point densities based on different criteria.

PubMed

Kohonen, T

1999-11-15

Point densities of model (codebook) vectors in self-organizing maps (SOMs) are evaluated in this article. For a few one-dimensional SOMs with finite grid lengths and a given probability density function of the input, the numerically exact point densities have been computed. The point density derived from the SOM algorithm turned out to be different from that minimizing the SOM distortion measure, showing that the model vectors produced by the basic SOM algorithm in general do not exactly coincide with the optimum of the distortion measure. A new computing technique based on the calculus of variations has been introduced. It was applied to the computation of point densities derived from the distortion measure for both the classical vector quantization and the SOM with general but equal dimensionality of the input vectors and the grid, respectively. The power laws in the continuum limit obtained in these cases were found to be identical.

Scalable free energy calculation of proteins via multiscale essential sampling

NASA Astrophysics Data System (ADS)

Moritsugu, Kei; Terada, Tohru; Kidera, Akinori

2010-12-01

A multiscale simulation method, "multiscale essential sampling (MSES)," is proposed for calculating free energy surface of proteins in a sizable dimensional space with good scalability. In MSES, the configurational sampling of a full-dimensional model is enhanced by coupling with the accelerated dynamics of the essential degrees of freedom. Applying the Hamiltonian exchange method to MSES can remove the biasing potential from the coupling term, deriving the free energy surface of the essential degrees of freedom. The form of the coupling term ensures good scalability in the Hamiltonian exchange. As a test application, the free energy surface of the folding process of a miniprotein, chignolin, was calculated in the continuum solvent model. Results agreed with the free energy surface derived from the multicanonical simulation. Significantly improved scalability with the MSES method was clearly shown in the free energy calculation of chignolin in explicit solvent, which was achieved without increasing the number of replicas in the Hamiltonian exchange.

A three-dimensional model to assess the effect of ankle joint axis misalignments in ankle-foot orthoses.

PubMed

Fatone, Stefania; Johnson, William Brett; Tucker, Kerice

2016-04-01

Misalignment of an articulated ankle-foot orthosis joint axis with the anatomic joint axis may lead to discomfort, alterations in gait, and tissue damage. Theoretical, two-dimensional models describe the consequences of misalignments, but cannot capture the three-dimensional behavior of ankle-foot orthosis use. The purpose of this project was to develop a model to describe the effects of ankle-foot orthosis ankle joint misalignment in three dimensions. Computational simulation. Three-dimensional scans of a leg and ankle-foot orthosis were incorporated into a link segment model where the ankle-foot orthosis joint axis could be misaligned with the anatomic ankle joint axis. The leg/ankle-foot orthosis interface was modeled as a network of nodes connected by springs to estimate interface pressure. Motion between the leg and ankle-foot orthosis was calculated as the ankle joint moved through a gait cycle. While the three-dimensional model corroborated predictions of the previously published two-dimensional model that misalignments in the anterior -posterior direction would result in greater relative motion compared to misalignments in the proximal -distal direction, it provided greater insight showing that misalignments have asymmetrical effects. The three-dimensional model has been incorporated into a freely available computer program to assist others in understanding the consequences of joint misalignments. Models and simulations can be used to gain insight into functioning of systems of interest. We have developed a three-dimensional model to assess the effect of ankle joint axis misalignments in ankle-foot orthoses. The model has been incorporated into a freely available computer program to assist understanding of trainees and others interested in orthotics. © The International Society for Prosthetics and Orthotics 2014.

Three-Dimensional Model of Heat and Mass Transfer in Fractured Rocks to Estimate Environmental Conditions Along Heated Drifts

NASA Astrophysics Data System (ADS)

Fedors, R. W.; Painter, S. L.

2004-12-01

Temperature gradients along the thermally-perturbed drifts of the potential high-level waste repository at Yucca Mountain, Nevada, will drive natural convection and associated heat and mass transfer along drifts. A three-dimensional, dual-permeability, thermohydrological model of heat and mass transfer was used to estimate the magnitude of temperature gradients along a drift. Temperature conditions along heated drifts are needed to support estimates of repository-edge cooling and as input to computational fluid dynamics modeling of in-drift axial convection and the cold-trap process. Assumptions associated with abstracted heat transfer models and two-dimensional thermohydrological models weakly coupled to mountain-scale thermal models can readily be tested using the three-dimensional thermohydrological model. Although computationally expensive, the fully coupled three-dimensional thermohydrological model is able to incorporate lateral heat transfer, including host rock processes of conduction, convection in gas phase, advection in liquid phase, and latent-heat transfer. Results from the three-dimensional thermohydrological model showed that weakly coupling three-dimensional thermal and two-dimensional thermohydrological models lead to underestimates of temperatures and underestimates of temperature gradients over large portions of the drift. The representative host rock thermal conductivity needed for abstracted heat transfer models are overestimated using the weakly coupled models. If axial flow patterns over large portions of drifts are not impeded by the strong cross-sectional flow patterns imparted by the heat rising directly off the waste package, condensation from the cold-trap process will not be limited to the extreme ends of each drift. Based on the three-dimensional thermohydrological model, axial temperature gradients occur sooner over a larger portion of the drift, though high gradients nearest the edge of the potential repository are dampened. This abstract is an independent product of CNWRA and does not necessarily reflect the view or regulatory position of the Nuclear Regulatory Commission.

[Research progress of three-dimensional digital model for repair and reconstruction of knee joint].

PubMed

Tong, Lu; Li, Yanlin; Hu, Meng

2013-01-01

To review recent advance in the application and research of three-dimensional digital knee model. The recent original articles about three-dimensional digital knee model were extensively reviewed and analyzed. The digital three-dimensional knee model can simulate the knee complex anatomical structure very well. Based on this, there are some developments of new software and techniques, and good clinical results are achieved. With the development of computer techniques and software, the knee repair and reconstruction procedure has been improved, the operation will be more simple and its accuracy will be further improved.

A hybrid intelligent method for three-dimensional short-term prediction of dissolved oxygen content in aquaculture.

PubMed

Chen, Yingyi; Yu, Huihui; Cheng, Yanjun; Cheng, Qianqian; Li, Daoliang

2018-01-01

A precise predictive model is important for obtaining a clear understanding of the changes in dissolved oxygen content in crab ponds. Highly accurate interval forecasting of dissolved oxygen content is fundamental to reduce risk, and three-dimensional prediction can provide more accurate results and overall guidance. In this study, a hybrid three-dimensional (3D) dissolved oxygen content prediction model based on a radial basis function (RBF) neural network, K-means and subtractive clustering was developed and named the subtractive clustering (SC)-K-means-RBF model. In this modeling process, K-means and subtractive clustering methods were employed to enhance the hyperparameters required in the RBF neural network model. The comparison of the predicted results of different traditional models validated the effectiveness and accuracy of the proposed hybrid SC-K-means-RBF model for three-dimensional prediction of dissolved oxygen content. Consequently, the proposed model can effectively display the three-dimensional distribution of dissolved oxygen content and serve as a guide for feeding and future studies.

Three-dimensional Architecture Enabled by Strained Two-dimensional Material Heterojunction.

PubMed

Lou, Shuai; Liu, Yin; Yang, Fuyi; Lin, Shuren; Zhang, Ruopeng; Deng, Yang; Wang, Michael; Tom, Kyle B; Zhou, Fei; Ding, Hong; Bustillo, Karen C; Wang, Xi; Yan, Shancheng; Scott, Mary; Minor, Andrew; Yao, Jie

2018-03-14

Engineering the structure of materials endows them with novel physical properties across a wide range of length scales. With high in-plane stiffness and strength, but low flexural rigidity, two-dimensional (2D) materials are excellent building blocks for nanostructure engineering. They can be easily bent and folded to build three-dimensional (3D) architectures. Taking advantage of the large lattice mismatch between the constituents, we demonstrate a 3D heterogeneous architecture combining a basal Bi 2 Se 3 nanoplate and wavelike Bi 2 Te 3 edges buckling up and down forming periodic ripples. Unlike 2D heterostructures directly grown on substrates, the solution-based synthesis allows the heterostructures to be free from substrate influence during the formation process. The balance between bending and in-plane strain energies gives rise to controllable rippling of the material. Our experimental results show clear evidence that the wavelengths and amplitudes of the ripples are dependent on both the widths and thicknesses of the rippled material, matching well with continuum mechanics analysis. The rippled Bi 2 Se 3 /Bi 2 Te 3 heterojunction broadens the horizon for the application of 2D materials heterojunction and the design and fabrication of 3D architectures based on them, which could provide a platform to enable nanoscale structure generation and associated photonic/electronic properties manipulation for optoelectronic and electromechanic applications.

Gating Mechanisms of Mechanosensitive Channels of Large Conductance, I: A Continuum Mechanics-Based Hierarchical Framework

PubMed Central

Chen, Xi; Cui, Qiang; Tang, Yuye; Yoo, Jejoong; Yethiraj, Arun

2008-01-01

A hierarchical simulation framework that integrates information from molecular dynamics (MD) simulations into a continuum model is established to study the mechanical response of mechanosensitive channel of large-conductance (MscL) using the finite element method (FEM). The proposed MD-decorated FEM (MDeFEM) approach is used to explore the detailed gating mechanisms of the MscL in Escherichia coli embedded in a palmitoyloleoylphosphatidylethanolamine lipid bilayer. In Part I of this study, the framework of MDeFEM is established. The transmembrane and cytoplasmic helices are taken to be elastic rods, the loops are modeled as springs, and the lipid bilayer is approximated by a three-layer sheet. The mechanical properties of the continuum components, as well as their interactions, are derived from molecular simulations based on atomic force fields. In addition, analytical closed-form continuum model and elastic network model are established to complement the MDeFEM approach and to capture the most essential features of gating. In Part II of this study, the detailed gating mechanisms of E. coli-MscL under various types of loading are presented and compared with experiments, structural model, and all-atom simulations, as well as the analytical models established in Part I. It is envisioned that such a hierarchical multiscale framework will find great value in the study of a variety of biological processes involving complex mechanical deformations such as muscle contraction and mechanotransduction. PMID:18390626

Multispectral Observations and Analysis of the Rosette Nebula

NASA Astrophysics Data System (ADS)

Huber, Jeremy

The Rosette nebula is a large, ring-shaped emission nebula with a distinctive central cavity excavated by its central cluster of OB stars. Toward understanding the three dimensional structure and fundamental physical processes of this object, we have acquired ux-calibrated, 4-degree field, deep exposures of the Rosette region through 3 nm bandwidth Halpha (656.3 nm) as well as Hbeta (486.1nm), [OIII] (500.7 nm) and [SII] (671.6 nm) filters with 4.5 nm bandwidth. The 4 arcsec/pixel images are supplemented with 4 degree field slit spectra and combined with archival data from the Galactic Evolution Explorer satellite (GALEX), Akari, the Infrared Astronomical Satellite (IRAS), the Midcourse Space Experiment (MSX), the Wide-field Infrared Survey Explorer (WISE), the Wilkinson Microwave Anisotropy Probe (WMAP) and the Planck mission, along with published single dish radio data of the hydrogen continuum at 1410, 2700, and 4750 MHz. These disparate sources have been converted to the same flux and spatial scale as our own wide field data to create a multispectral data cube which allows comparative analysis across the electromagnetic spectrum. Using ratios of data cube slices, spatial maps of extinction and ionization have been constructed to explore the spatial variation of these parameters across the nebula. Comparison of emission in different wavelengths across the data cube allows generation of a spectral energy distribution (SED) to probe dust temperature and geometry. A radial profile analysis of emission from the Rosette in each band supports a spherical shell model of three dimensional structure, and visual representations of this model have been generated in both Python and Javascript/GLSL. An investigation of anomalous dust emission in the center of the nebula via supplemental spectroscopy, conducted on the Anglo-Australian Telescope, is also presented.

Orbital Stability Results for Soliton Solutions to Nonlinear Schrodinger Equations with External Potentials

NASA Astrophysics Data System (ADS)

Lindgren, Joseph B.

The Rosette nebula is a large, ring-shaped emission nebula with a distinctive central cavity excavated by its central cluster of OB stars. Toward understanding the three dimensional structure and fundamental physical processes of this object, we have acquired ux-calibrated, 4-degree field, deep exposures of the Rosette region through 3 nm bandwidth Halpha (656.3 nm) as well as Hbeta (486.1nm), [OIII] (500.7 nm) and [SII] (671.6 nm) filters with 4.5 nm bandwidth. The 4 arcsec/pixel images are supplemented with 4 degree field slit spectra and combined with archival data from the Galactic Evolution Explorer satellite (GALEX), Akari, the Infrared Astronomical Satellite (IRAS), the Midcourse Space Experiment (MSX), the Wide-field Infrared Survey Explorer (WISE), the Wilkinson Microwave Anisotropy Probe (WMAP) and the Planck mission, along with published single dish radio data of the hydrogen continuum at 1410, 2700, and 4750 MHz. These disparate sources have been converted to the same flux and spatial scale as our own wide field data to create a multispectral data cube which allows comparative analysis across the electromagnetic spectrum. Using ratios of data cube slices, spatial maps of extinction and ionization have been constructed to explore the spatial variation of these parameters across the nebula. Comparison of emission in different wavelengths across the data cube allows generation of a spectral energy distribution (SED) to probe dust temperature and geometry. A radial profile analysis of emission from the Rosette in each band supports a spherical shell model of three dimensional structure, and visual representations of this model have been generated in both Python and Javascript/GLSL. An investigation of anomalous dust emission in the center of the nebula via supplemental spectroscopy, conducted on the Anglo-Australian Telescope, is also presented.

A Study on Atomically Thin Ultra Short Conducting Channels, Breakdown, and Environmental Effects

NASA Astrophysics Data System (ADS)

Sundararajan, Abhishek

The Rosette nebula is a large, ring-shaped emission nebula with a distinctive central cavity excavated by its central cluster of OB stars. Toward understanding the three dimensional structure and fundamental physical processes of this object, we have acquired ux-calibrated, 4-degree field, deep exposures of the Rosette region through 3 nm bandwidth Halpha (656.3 nm) as well as Hbeta (486.1nm), [OIII] (500.7 nm) and [SII] (671.6 nm) filters with 4.5 nm bandwidth. The 4 arcsec/pixel images are supplemented with 4 degree field slit spectra and combined with archival data from the Galactic Evolution Explorer satellite (GALEX), Akari, the Infrared Astronomical Satellite (IRAS), the Midcourse Space Experiment (MSX), the Wide-field Infrared Survey Explorer (WISE), the Wilkinson Microwave Anisotropy Probe (WMAP) and the Planck mission, along with published single dish radio data of the hydrogen continuum at 1410, 2700, and 4750 MHz. These disparate sources have been converted to the same flux and spatial scale as our own wide field data to create a multispectral data cube which allows comparative analysis across the electromagnetic spectrum. Using ratios of data cube slices, spatial maps of extinction and ionization have been constructed to explore the spatial variation of these parameters across the nebula. Comparison of emission in different wavelengths across the data cube allows generation of a spectral energy distribution (SED) to probe dust temperature and geometry. A radial profile analysis of emission from the Rosette in each band supports a spherical shell model of three dimensional structure, and visual representations of this model have been generated in both Python and Javascript/GLSL. An investigation of anomalous dust emission in the center of the nebula via supplemental spectroscopy, conducted on the Anglo-Australian Telescope, is also presented.

The key role of dislocation dissociation in the plastic behaviour of single crystal nickel-based superalloy with low stacking fault energy: Three-dimensional discrete dislocation dynamics modelling

NASA Astrophysics Data System (ADS)

Huang, Minsheng; Li, Zhenhuan

2013-12-01

To model the deformation of single crystal nickel based superalloys (SCNBS) with low stacking fault energy (SFE), three-dimensional discrete dislocation dynamics (3D-DDD) is extended by incorporating dislocation dissociation mechanism. The present 3D-DDD simulations show that, consistent with the existing TEM observation, the leading partial can enter the matrix channel efficiently while the trailing partial can hardly glide into it when the dislocation dissociation is taken into account. To determine whether the dislocation dissociation can occur or not, a critical percolation stress (CPS) based criterion is suggested. According to this CPS criterion, for SCNBS there exists a critical matrix channel width. When the channel width is lower than this critical value, the dislocation tends to dissociate into an extended configuration and vice versa. To clarify the influence of dislocation dissociation on CPS, the classical Orowan formula is improved by incorporating the SFE. Moreover, the present 3D-DDD simulations also show that the yielding stress of SCNBSs with low SFE may be overestimated up to 30% if the dislocation dissociation is ignored. With dislocation dissociation being considered, the size effect due to the width of γ matrix channel and the length of γ‧ precipitates on the stress-strain responses of SCNBS can be enhanced remarkably. In addition, due to the strong constraint effect by the two-phase microstructure in SCNBS, the configuration of formed junctions is quite different from that in single phase crystals such as Cu. The present results not only provide clear understanding of the two-phase microstructure levelled microplastic mechanisms in SCNBSs with low SFE, but also help to develop new continuum-levelled constitutive laws for SCNBSs.

Continuum Fatigue Damage Modeling for Use in Life Extending Control

NASA Technical Reports Server (NTRS)

Lorenzo, Carl F.

1994-01-01

This paper develops a simplified continuum (continuous wrp to time, stress, etc.) fatigue damage model for use in Life Extending Controls (LEC) studies. The work is based on zero mean stress local strain cyclic damage modeling. New nonlinear explicit equation forms of cyclic damage in terms of stress amplitude are derived to facilitate the continuum modeling. Stress based continuum models are derived. Extension to plastic strain-strain rate models are also presented. Application of these models to LEC applications is considered. Progress toward a nonzero mean stress based continuum model is presented. Also, new nonlinear explicit equation forms in terms of stress amplitude are also derived for this case.

The dynamics and control of large flexible space structures. Part B: Development of continuum model and computer simulation

NASA Technical Reports Server (NTRS)

Bainum, P. M.; Kumar, V. K.; James, P. K.

1978-01-01

The equations of motion of an arbitrary flexible body in orbit were derived. The model includes the effects of gravity with all its higher harmonics. As a specific example, the motion of a long, slender, uniform beam in circular orbit was modelled. The example considers both the inplane and three dimensional motion of the beam in orbit. In the case of planar motion with only flexible vibrations, the pitch motion is not influenced by the elastic motion of the beam. For large values of the square of the ratio of the structural modal frequency to the orbital angular rate the elastic motion was decoupled from the pitch motion. However, for small values of the ratio and small amplitude pitch motion, the elastic motion was governed by a Hill's 3 term equation. Numerical simulation of the equation indicates the possibilities of instability for very low values of the square of the ratio of the modal frequency to the orbit angular rate. Also numerical simulations of the first order nonlinear equations of motion for a long flexible beam in orbit were performed. The effect of varying the initial conditions and the number of modes was demonstrated.

Numerical study on the thermal behavior of graphene nanoplatelets/epoxy composites

NASA Astrophysics Data System (ADS)

Xiao, Wenkai; Zhai, Xian; Ma, Pengfei; Fan, Taotao; Li, Xiaotuo

2018-06-01

A three-dimensional computational model was developed using the finite element method (FEM) to evaluate the thermal behavior of graphene nanoplatelets (GNPs)/epoxy composites based on continuum mechanics. The model was validated with experimental data. The effects of the ratio of radius to thickness (Rrt) of GNPs, the interfacial thermal conductivity between GNPs and the matrix (Cgm), the contact thermal conductivity between GNPs (Cgg) and the agglomeration degree of GNPs on the thermal conductivity of composites (Kc) were quantified using this model. The results show that a larger Rrt is beneficial to Kc. GNPs could increase Kc only when the Cgm is greater than a critical value. A percolation phenomenon will occur when Cgg is larger than 1.0E8 W/(m2k) in randomly distributed GNPs/epoxy composites. The percolation effects become more obvious with the increase of Cgg and the volume fraction of GNPs. The agglomeration of GNPs has negative effects on the Kc. The higher the agglomeration degree of GNPs is, the lower Kc is. This is attributed to less beneficial interfacial areas, more inefficient contact areas, smaller Rrt and less effective connection/contact between GNPs.

Two-dimensional quasistatic stationary short range surface plasmons in flat nanoprisms.

PubMed

Nelayah, J; Kociak, M; Stéphan, O; Geuquet, N; Henrard, L; García de Abajo, F J; Pastoriza-Santos, I; Liz-Marzán, L M; Colliex, C

2010-03-10

We report on the nanometer scale spectral imaging of surface plasmons within individual silver triangular nanoprisms by electron energy loss spectroscopy and on related discrete dipole approximation simulations. A dependence of the energy and intensity of the three detected modes as function of the edge length is clearly identified both experimentally and with simulations. We show that for experimentally available prisms (edge lengths ca. 70 to 300 nm) the energies and intensities of the different modes show a monotonic dependence as function of the aspect ratio of the prisms. For shorter or longer prisms, deviations to this behavior are identified thanks to simulations. These modes have symmetric charge distribution and result from the strong coupling of the upper and lower triangular surfaces. They also form a standing wave in the in-plane direction and are identified as quasistatic short range surface plasmons of different orders as emphasized within a continuum dielectric model. This model explains in simple terms the measured and simulated energy and intensity changes as function of geometric parameters. By providing a unified vision of surface plasmons in platelets, such a model should be useful for engineering of the optical properties of metallic nanoplatelets.

Sharing and reusing cardiovascular anatomical models over the Web: a step towards the implementation of the virtual physiological human project.

PubMed

Gianni, Daniele; McKeever, Steve; Yu, Tommy; Britten, Randall; Delingette, Hervé; Frangi, Alejandro; Hunter, Peter; Smith, Nicolas

2010-06-28

Sharing and reusing anatomical models over the Web offers a significant opportunity to progress the investigation of cardiovascular diseases. However, the current sharing methodology suffers from the limitations of static model delivery (i.e. embedding static links to the models within Web pages) and of a disaggregated view of the model metadata produced by publications and cardiac simulations in isolation. In the context of euHeart--a research project targeting the description and representation of cardiovascular models for disease diagnosis and treatment purposes--we aim to overcome the above limitations with the introduction of euHeartDB, a Web-enabled database for anatomical models of the heart. The database implements a dynamic sharing methodology by managing data access and by tracing all applications. In addition to this, euHeartDB establishes a knowledge link with the physiome model repository by linking geometries to CellML models embedded in the simulation of cardiac behaviour. Furthermore, euHeartDB uses the exFormat--a preliminary version of the interoperable FieldML data format--to effectively promote reuse of anatomical models, and currently incorporates Continuum Mechanics, Image Analysis, Signal Processing and System Identification Graphical User Interface (CMGUI), a rendering engine, to provide three-dimensional graphical views of the models populating the database. Currently, euHeartDB stores 11 cardiac geometries developed within the euHeart project consortium.

VUV-absorption cross section of carbon dioxide from 150 to 800 K and applications to warm exoplanetary atmospheres

NASA Astrophysics Data System (ADS)

Venot, O.; Bénilan, Y.; Fray, N.; Gazeau, M.-C.; Lefèvre, F.; Es-sebbar, Et.; Hébrard, E.; Schwell, M.; Bahrini, C.; Montmessin, F.; Lefèvre, M.; Waldmann, I. P.

2018-01-01

Context. Most exoplanets detected so far have atmospheric temperatures significantly higher than 300 K. Often close to their star, they receive an intense UV photons flux that triggers important photodissociation processes. The temperature dependency of vacuum ultraviolet (VUV) absorption cross sections are poorly known, leading to an undefined uncertainty in atmospheric models. Similarly, data measured at low temperatures similar to those of the high atmosphere of Mars, Venus, and Titan are often lacking. Aims: Our aim is to quantify the temperature dependency of the VUV absorption cross sections of important molecules in planetary atmospheres. We want to provide high-resolution data at temperatures prevailing in these media, and a simple parameterisation of the absorption in order to simplify its use in photochemical models. This study focuses on carbon dioxide (CO2). Methods: We performed experimental measurements of CO2 absorption cross sections with synchrotron radiation for the wavelength range (115-200 nm). For longer wavelengths (195-230 nm), we used a deuterium lamp and a 1.5 m Jobin-Yvon spectrometer. We used these data in our one-dimensional (1D) thermo-photochemical model in order to study their impact on the predicted atmospheric compositions. Results: The VUV absorption cross section of CO2 increases with the temperature. The absorption we measured at 150 K seems to be close to the absorption of CO2 in the fundamental ground state. The absorption cross section can be separated into two parts: a continuum and a fine structure superimposed on the continuum. The variation in the continuum of absorption can be represented by the sum of three Gaussian functions. Using data at high temperature in thermo-photochemical models significantly modifies the abundance and the photodissociation rates of many species in addition to CO2, such as methane and ammonia. These deviations have an impact on synthetic transmission spectra, leading to variations of up to 5 ppm. Conclusions: We present a full set of high-resolution (Δλ = 0.03 nm) absorption cross sections of CO2 from 115 to 230 nm for temperatures ranging from 150 to 800 K. A parameterisation allows us to calculate the continuum of absorption in this wavelength range. Extrapolation at higher temperature has not been validated experimentally and therefore should be used with caution. Similar studies on other major species are necessary to improve our understanding of planetary atmospheres. The data presented in Fig. 1 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/609/A34

New insights into the correlation structure of DSM-IV depression symptoms in the general population v. subsamples of depressed individuals.

PubMed

Foster, S; Mohler-Kuo, M

2018-06-01

Previous research failed to uncover a replicable dimensional structure underlying the symptoms of depression. We aimed to examine two neglected methodological issues in this research: (a) adjusting symptom correlations for overall depression severity; and (b) analysing general population samples v. subsamples of currently depressed individuals. Using population-based cross-sectional and longitudinal data from two nations (Switzerland, 5883 young men; USA, 2174 young men and 2244 young women) we assessed the dimensions of the nine DSM-IV depression symptoms in young adults. In each general-population sample and each subsample of currently depressed participants, we conducted a standardised process of three analytical steps, based on exploratory and confirmatory factor and bifactor analysis, to reveal any replicable dimensional structure underlying symptom correlations while controlling for overall depression severity. We found no evidence of a replicable dimensional structure across samples when adjusting symptom correlations for overall depression severity. In the general-population samples, symptoms correlated strongly and a single dimension of depression severity was revealed. Among depressed participants, symptom correlations were surprisingly weak and no replicable dimensions were identified, regardless of severity-adjustment. First, caution is warranted when considering studies assessing dimensions of depression because general population-based studies and studies of depressed individuals generate different data that can lead to different conclusions. This problem likely generalises to other models based on the symptoms' inter-relationships such as network models. Second, whereas the overall severity aligns individuals on a continuum of disorder intensity that allows non-affected individuals to be distinguished from affected individuals, the clinical evaluation and treatment of depressed individuals should focus directly on each individual's symptom profile.

Multi-dimensional dynamics of stimulated Brillouin scattering in a laser speckle: Ion acoustic wave bowing, breakup, and laser-seeded two-ion-wave decay

DOE PAGES

Albright, B. J.; Yin, L.; Bowers, K. J.; ...

2016-03-04

Two- and three-dimensional particle-in-cell simulations of stimulated Brillouin scattering(SBS) in laser speckle geometry have been analyzed to evaluate the relative importance of competing nonlinear processes in the evolution and saturation of SBS. It is found that ion-trapping-induced wavefront bowing and breakup of ion acoustic waves(IAW) and the associated side-loss of trapped ions dominate electron-trapping-induced IAW wavefront bowing and breakup, as well as the two-ion-wave decay instability over a range of ZT e/T i conditions and incident laser intensities. In the simulations, the latter instability does not govern the nonlinear saturation of SBS; however, evidence of two-ion-wave decay is seen, appearingmore » as a modulation of the ion acoustic wavefronts. This modulation is periodic in the laser polarization plane, anti-symmetric across the speckle axis, and of a wavenumber matching that of the incident laser pulse. Furthermore, a simple analytic model is provided for how spatial “imprinting” from a high frequency inhomogeneity (in this case, the density modulation from the laser) in an unstable system with continuum eigenmodes can selectively amplify modes with wavenumbers that match that of the inhomogeneity.« less

Dislocation Content Measured Via 3D HR-EBSD Near a Grain Boundary in an AlCu Oligocrystal

NASA Technical Reports Server (NTRS)

Ruggles, Timothy; Hochhalter, Jacob; Homer, Eric

2016-01-01

Interactions between dislocations and grain boundaries are poorly understood and crucial to mesoscale plasticity modeling. Much of our understanding of dislocation-grain boundary interaction comes from atomistic simulations and TEM studies, both of which are extremely limited in scale. High angular resolution EBSD-based continuum dislocation microscopy provides a way of measuring dislocation activity at length scales and accuracies relevant to crystal plasticity, but it is limited as a two-dimensional technique, meaning the character of the grain boundary and the complete dislocation activity is difficult to recover. However, the commercialization of plasma FIB dual-beam microscopes have made 3D EBSD studies all the more feasible. The objective of this work is to apply high angular resolution cross correlation EBSD to a 3D EBSD data set collected by serial sectioning in a FIB to characterize dislocation interaction with a grain boundary. Three dimensional high angular resolution cross correlation EBSD analysis was applied to an AlCu oligocrystal to measure dislocation densities around a grain boundary. Distortion derivatives associated with the plasma FIB serial sectioning were higher than expected, possibly due to geometric uncertainty between layers. Future work will focus on mitigating the geometric uncertainty and examining more regions of interest along the grain boundary to glean information on dislocation-grain boundary interaction.

Exact edge, bulk, and bound states of finite topological systems

NASA Astrophysics Data System (ADS)

Duncan, Callum W.; Öhberg, Patrik; Valiente, Manuel

2018-05-01

Finite topologically nontrivial systems are characterized, among many other unique properties, by the presence of bound states at their physical edges. These topological edge modes can be distinguished from usual Shockley waves energetically, as their energies remain finite and in gap even when the boundaries of the system represent an effectively infinite and sharp energetic barrier. Theoretically, the existence of topological edge modes can be shown by means of the bulk-edge correspondence and topological invariants. On a clean one-dimensional lattice and reducible two-dimensional models, in either the commensurate or semi-infinite case, the edge modes can be essentially obtained analytically, as shown previously [Y. Hatsugai, Phys. Rev. Lett. 71, 3697 (1993), 10.1103/PhysRevLett.71.3697; D. Hügel and B. Paredes, Phys. Rev. A 89, 023619 (2014), 10.1103/PhysRevA.89.023619]. In this work, we put forward a method for obtaining the spectrum and wave functions of topological edge modes for arbitrary finite lattices, including the incommensurate case. A small number of parameters are easily determined numerically, with the form of the eigenstates remaining fully analytical. We also obtain the bulk modes in the finite system analytically and their associated eigenenergies, which lie within the infinite-size limit continuum. Our method is general and can be easily applied to obtain the properties of nontopological models and/or extended to include impurities. As an example, we consider a relevant case of an impurity located next to one edge of a one-dimensional system, equivalent to a softened boundary in a separable two-dimensional model. We show that a localized impurity can have a drastic effect on the original topological edge modes of the system. Using the periodic Harper and Hofstadter models to illustrate our method, we find that, on increasing the impurity strength, edge states can enter or exit the continuum, and a trivial Shockley state bound to the impurity may appear. The fate of the topological edge modes in the presence of impurities can be addressed by quenching the impurity strength. We find that at certain critical impurity strengths, the transition probability for a particle initially prepared in an edge mode to decay into the bulk exhibits discontinuities that mark the entry and exit points of edge modes from and into the bulk spectrum.

Meso-scale turbulence in living fluids

NASA Astrophysics Data System (ADS)

Dunkel, Jorn; Wensink, Rik; Heidenreich, Sebastian; Drescher, Knut; Goldstein, Ray; Loewen, Hartmut; Yeomans, Julia

2012-11-01

The mathematical characterization of turbulence phenomena in active non-equilibrium fluids proves even more difficult than for conventional liquids or gases. It is not known which features of turbulent phases in living matter are universal or system-specific, or which generalizations of the Navier-Stokes equations are able to describe them adequately. We combine experiments, particle simulations, and continuum theory to identify the statistical properties of self-sustained meso-scale turbulence in active systems. To study how dimensionality and boundary conditions affect collective bacterial dynamics, we measured energy spectra and structure functions in dense Bacillus subtilis suspensions in quasi-2D and 3D geometries. Our experimental results for the bacterial flow statistics agree well with predictions from a minimal model for self-propelled rods, suggesting that at high concentrations the collective motion of the bacteria is dominated by short-range interactions. To provide a basis for future theoretical studies, we propose a minimal continuum model for incompressible bacterial flow. A detailed numerical analysis of the 2D case shows that this theory can reproduce many of the experimentally observed features of self-sustained active turbulence. Supported by the ERC, EPSRC and DFG.

Neoclassical Simulation of Tokamak Plasmas using Continuum Gyrokinetc Code TEMPEST

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

Xu, X Q

We present gyrokinetic neoclassical simulations of tokamak plasmas with self-consistent electric field for the first time using a fully nonlinear (full-f) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five dimensional computational grid in phase space. The present implementation is a Method of Lines approach where the phase-space derivatives are discretized with finite differences and implicit backwards differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving gyrokinetic Poisson equation with self-consistent poloidal variation. Withmore » our 4D ({psi}, {theta}, {epsilon}, {mu}) version of the TEMPEST code we compute radial particle and heat flux, the Geodesic-Acoustic Mode (GAM), and the development of neoclassical electric field, which we compare with neoclassical theory with a Lorentz collision model. The present work provides a numerical scheme and a new capability for self-consistently studying important aspects of neoclassical transport and rotations in toroidal magnetic fusion devices.« less

Thermodynamics and combustion modeling

NASA Technical Reports Server (NTRS)

Zeleznik, Frank J.

1986-01-01

Modeling fluid phase phenomena blends the conservation equations of continuum mechanics with the property equations of thermodynamics. The thermodynamic contribution becomes especially important when the phenomena involve chemical reactions as they do in combustion systems. The successful study of combustion processes requires (1) the availability of accurate thermodynamic properties for both the reactants and the products of reaction and (2) the computational capabilities to use the properties. A discussion is given of some aspects of the problem of estimating accurate thermodynamic properties both for reactants and products of reaction. Also, some examples of the use of thermodynamic properties for modeling chemically reacting systems are presented. These examples include one-dimensional flow systems and the internal combustion engine.

Explorable Three-Dimensional Digital Model of the Female Pelvis, Pelvic Contents, and Perineum for Anatomical Education

ERIC Educational Resources Information Center

Sergovich, Aimee; Johnson, Marjorie; Wilson, Timothy D.

2010-01-01

The anatomy of the pelvis is complex, multilayered, and its three-dimensional organization is conceptually difficult for students to grasp. The aim of this project was to create an explorable and projectable stereoscopic, three-dimensional (3D) model of the female pelvis and pelvic contents for anatomical education. The model was created using…

Damage, Self-Healing, and Hysteresis in Spider Silks

PubMed Central

De Tommasi, D.; Puglisi, G.; Saccomandi, G.

2010-01-01

Abstract In this article, we propose a microstructure-based continuum model to describe the material behavior of spider silks. We suppose that the material is composed of a soft fraction with entropic elasticity and a hard, damageable fraction. The hard fraction models the presence of stiffer, crystal-rich, oriented regions and accounts for the effect of softening induced by the breaking of hydrogen bonds. To describe the observed presence of crystals with different size, composition, and orientation, this hard fraction is modeled as a distribution of materials with variable properties. The soft fraction describes the remaining regions of amorphous material and is here modeled as a wormlike chain. During stretching, we consider the effect of bond-breaking as a transition from the hard- to the soft-material phase. As we demonstrate, a crucial effect of bond-breaking that accompanies the softening of the material is an increase in contour length associated with chains unraveling. The model describes also the self-healing properties of the material by assuming partial bond reconnection upon unloading. Despite its simplicity, the proposed mechanical system reproduces the main experimental effects observed in cyclic loading of spider silks. Moreover, our approach is amenable to two- or three-dimensional extensions and may prove to be a useful tool in the field of microstructure optimization for bioinspired materials. PMID:20441758

Three-dimensional simulation of pseudopod-driven swimming of amoeboid cells

NASA Astrophysics Data System (ADS)

Campbell, Eric; Bagchi, Prosenjit

2016-11-01

Pseudopod-driven locomotion is common in eukaryotic cells, such as amoeba, neutrophils, and cancer cells. Pseudopods are protrusions of the cell body that grow, bifurcate, and retract. Due to the dynamic nature of pseudopods, the shape of a motile cell constantly changes. The actin-myosin protein dynamics is a likely mechanism for pseudopod growth. Existing theoretical models often focus on the acto-myosin dynamics, and not the whole cell shape dynamics. Here we present a full 3D simulation of pseudopod-driven motility by coupling a surface-bound reaction-diffusion (RD) model for the acto-myosin dynamics, a continuum model for the cell membrane deformation, and flow of the cytoplasmic and extracellular fluids. The whole cell is represented as a viscous fluid surrounded by a membrane. A finite-element method is used to solve the membrane deformation, and the RD model on the deforming membrane, while a finite-difference/spectral method is used to solve the flow fields inside and outside the cell. The fluid flow and cell deformation are coupled by the immersed-boundary method. The model predicts pseudopod growth, bifurcation, and retraction as observed for a swimming amoeba. The work provides insights on the role of membrane stiffness and cytoplasmic viscosity on amoeboid swimming. Funded by NSF CBET 1438255.

Thermal-mechanical-chemical responses of polymer-bonded explosives using a mesoscopic reactive model under impact loading.

PubMed

Wang, XinJie; Wu, YanQing; Huang, FengLei

2017-01-05

A mesoscopic framework is developed to quantify the thermal-mechanical-chemical responses of polymer-bonded explosive (PBX) samples under impact loading. A mesoscopic reactive model is developed for the cyclotetramethylenetetranitramine (HMX) crystal, which incorporates nonlinear elasticity, crystal plasticity, and temperature-dependent chemical reaction. The proposed model was implemented in the finite element code ABAQUS by the user subroutine VUMAT. A series of three-dimensional mesoscale models were constructed and calculated under low-strength impact loading scenarios from 100m/s to 600m/s where only the first wave transit is studied. Crystal anisotropy and microstructural heterogeneity are responsible for the nonuniform stress field and fluctuations of the stress wave front. At a critical impact velocity (≥300m/s), a chemical reaction is triggered because the temperature contributed by the volumetric and plastic works is sufficiently high. Physical quantities, including stress, temperature, and extent of reaction, are homogenized from those across the microstructure at the mesoscale to compare with macroscale measurements, which will advance the continuum-level models. The framework presented in this study has important implications in understanding hot spot ignition processes and improving predictive capabilities in energetic materials. Copyright © 2016 Elsevier B.V. All rights reserved.

Simulation of Anisotropic Rock Damage for Geologic Fracturing

NASA Astrophysics Data System (ADS)

Busetti, S.; Xu, H.; Arson, C. F.

2014-12-01

A continuum damage model for differential stress-induced anisotropic crack formation and stiffness degradation is used to study geologic fracturing in rocks. The finite element-based model solves for deformation in the quasi-linear elastic domain and determines the six component damage tensor at each deformation increment. The model permits an isotropic or anisotropic intact or pre-damaged reference state, and the elasticity tensor evolves depending on the stress path. The damage variable, similar to Oda's fabric tensor, grows when the surface energy dissipated by three-dimensional opened cracks exceeds a threshold defined at the appropriate scale of the representative elementary volume (REV). At the laboratory or wellbore scale (<1m) brittle continuum damage reflects microcracking, grain boundary separation, grain crushing, or fine delamination, such as in shale. At outcrop (1m-100m), seismic (10m-1000m), and tectonic (>1000m) scales the damaged REV reflects early natural fracturing (background or tectonic fracturing) or shear strain localization (fault process zone, fault-tip damage, etc.). The numerical model was recently benchmarked against triaxial stress-strain data from laboratory rock mechanics tests. However, the utility of the model to predict geologic fabric such as natural fracturing in hydrocarbon reservoirs was not fully explored. To test the ability of the model to predict geological fracturing, finite element simulations (Abaqus) of common geologic scenarios with known fracture patterns (borehole pressurization, folding, faulting) are simulated and the modeled damage tensor is compared against physical fracture observations. Simulated damage anisotropy is similar to that derived using fractured rock-mass upscaling techniques for pre-determined fracture patterns. This suggests that if model parameters are constrained with local data (e.g., lab, wellbore, or reservoir domain), forward modeling could be used to predict mechanical fabric at the relevant REV scale. This reference fabric also can be used as the starting material property to pre-condition subsequent deformation or fluid flow. Continuing efforts are to expand the present damage model to couple damage evolution with plasticity and with permeability for more geologically realistic simulation.

A New Classification of Three-Dimensional Printing Technologies: Systematic Review of Three-Dimensional Printing for Patient-Specific Craniomaxillofacial Surgery.

PubMed

Jacobs, Carly A; Lin, Alexander Y

2017-05-01

Three-dimensional printing technology has been advancing in surgical applications. This systematic review examines its patient-specific applications in craniomaxillofacial surgery. Terms related to "three-dimensional printing" and "surgery" were searched on PubMed on May 4, 2015; 313 unique articles were returned. Inclusion and exclusion criteria concentrated on patient-specific surgical applications, yielding 141 full-text articles, of which 33 craniomaxillofacial articles were analyzed. Thirty-three articles included 315 patients who underwent three-dimensional printing-assisted operations. The most common modeling software was Mimics, the most common printing software was 3D Systems, the average time to create a printed object was 18.9 hours (range, 1.5 to 96 hours), and the average cost of a printed object was $1353.31 (range, $69.75 to $5500). Surgical procedures were divided among 203 craniofacial patients (205 three-dimensional printing objects) and 112 maxillofacial patients (137 objects). Printing technologies could be classified as contour models, guides, splints, and implants. For craniofacial patients, 173 contour models (84 percent), 13 guides (6 percent), two splints (1 percent), and 17 implants (8 percent) were made. For maxillofacial patients, 41 contour models (30 percent), 48 guides (35 percent), 40 splints (29 percent), and eight implants (6 percent) were made. These distributions were significantly different (p < 0.0001). Four studies compared three-dimensional printing techniques to conventional techniques; two of them found that three-dimensional printing produced improved outcomes. Three-dimensional printing technology in craniomaxillofacial surgery can be classified into contour models (type I), guides (type II), splints (type III), and implants (type IV). These four methods vary in their use between craniofacial and maxillofacial surgery, reflecting their different goals. This understanding may help advance and predict three-dimensional printing applications for other types of plastic surgery and beyond.

An Energy Model of Place Cell Network in Three Dimensional Space.

PubMed

Wang, Yihong; Xu, Xuying; Wang, Rubin

2018-01-01

Place cells are important elements in the spatial representation system of the brain. A considerable amount of experimental data and classical models are achieved in this area. However, an important question has not been addressed, which is how the three dimensional space is represented by the place cells. This question is preliminarily surveyed by energy coding method in this research. Energy coding method argues that neural information can be expressed by neural energy and it is convenient to model and compute for neural systems due to the global and linearly addable properties of neural energy. Nevertheless, the models of functional neural networks based on energy coding method have not been established. In this work, we construct a place cell network model to represent three dimensional space on an energy level. Then we define the place field and place field center and test the locating performance in three dimensional space. The results imply that the model successfully simulates the basic properties of place cells. The individual place cell obtains unique spatial selectivity. The place fields in three dimensional space vary in size and energy consumption. Furthermore, the locating error is limited to a certain level and the simulated place field agrees to the experimental results. In conclusion, this is an effective model to represent three dimensional space by energy method. The research verifies the energy efficiency principle of the brain during the neural coding for three dimensional spatial information. It is the first step to complete the three dimensional spatial representing system of the brain, and helps us further understand how the energy efficiency principle directs the locating, navigating, and path planning function of the brain.

Bioconvection in spatially extended domains

NASA Astrophysics Data System (ADS)

Karimi, A.; Paul, M. R.

2013-05-01

We numerically explore gyrotactic bioconvection in large spatially extended domains of finite depth using parameter values from available experiments with the unicellular alga Chlamydomonas nivalis. We numerically integrate the three-dimensional, time-dependent continuum model of Pedley [J. Fluid Mech.10.1017/S0022112088002393 195, 223 (1988)] using a high-order, parallel, spectral-element approach. We explore the long-time nonlinear patterns and dynamics found for layers with an aspect ratio of 10 over a range of Rayleigh numbers. Our results yield the pattern wavelength and pattern dynamics which we compare with available theory and experimental measurement. There is good agreement for the pattern wavelength at short times between numerics, experiment, and a linear stability analysis. At long times we find that the general sequence of patterns given by the nonlinear evolution of the governing equations correspond qualitatively to what has been described experimentally. However, at long times the patterns in numerics grow to larger wavelengths, in contrast to what is observed in experiment where the wavelength is found to decrease with time.

Surface hopping with a manifold of electronic states. I. Incorporating surface-leaking to capture lifetimes

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

Ouyang, Wenjun; Dou, Wenjie; Subotnik, Joseph E., E-mail: subotnik@sas.upenn.edu

2015-02-28

We investigate the incorporation of the surface-leaking (SL) algorithm into Tully’s fewest-switches surface hopping (FSSH) algorithm to simulate some electronic relaxation induced by an electronic bath in conjunction with some electronic transitions between discrete states. The resulting SL-FSSH algorithm is benchmarked against exact quantum scattering calculations for three one-dimensional model problems. The results show excellent agreement between SL-FSSH and exact quantum dynamics in the wide band limit, suggesting the potential for a SL-FSSH algorithm. Discrepancies and failures are investigated in detail to understand the factors that will limit the reliability of SL-FSSH, especially the wide band approximation. Considering the easinessmore » of implementation and the low computational cost, we expect this method to be useful in studying processes involving both a continuum of electronic states (where electronic dynamics are probabilistic) and processes involving only a few electronic states (where non-adiabatic processes cannot ignore short-time coherence)« less

Three-dimensional modeling of tea-shoots using images and models.

PubMed

Wang, Jian; Zeng, Xianyin; Liu, Jianbing

2011-01-01

In this paper, a method for three-dimensional modeling of tea-shoots with images and calculation models is introduced. The process is as follows: the tea shoots are photographed with a camera, color space conversion is conducted, using an improved algorithm that is based on color and regional growth to divide the tea shoots in the images, and the edges of the tea shoots extracted with the help of edge detection; after that, using the divided tea-shoot images, the three-dimensional coordinates of the tea shoots are worked out and the feature parameters extracted, matching and calculation conducted according to the model database, and finally the three-dimensional modeling of tea-shoots is completed. According to the experimental results, this method can avoid a lot of calculations and has better visual effects and, moreover, performs better in recovering the three-dimensional information of the tea shoots, thereby providing a new method for monitoring the growth of and non-destructive testing of tea shoots.

Three-Dimensional Computer Simulation as an Important Competence Based Aspect of a Modern Mining Professional

NASA Astrophysics Data System (ADS)

Aksenova, Olesya; Pachkina, Anna

2017-11-01

The article deals with the problem of necessity of educational process transformation to meet the requirements of modern miming industry; cooperative developing of new educational programs and implementation of educational process taking into account modern manufacturability. The paper proves the idea of introduction into mining professionals learning process studying of three-dimensional models of surface technological complex, ore reserves and underground digging complex as well as creating these models in different graphic editors and working with the information analysis model obtained on the basis of these three-dimensional models. The technological process of manless coal mining at the premises of the mine Polysaevskaya controlled by the information analysis models built on the basis of three-dimensional models of individual objects and technological process as a whole, and at the same time requiring the staff able to use the programs of three-dimensional positioning in the miners and equipment global frame of reference is covered.

Analysis of high-rise constructions with the using of three-dimensional models of rods in the finite element program PRINS

NASA Astrophysics Data System (ADS)

Agapov, Vladimir

2018-03-01

The necessity of new approaches to the modeling of rods in the analysis of high-rise constructions is justified. The possibility of the application of the three-dimensional superelements of rods with rectangular cross section for the static and dynamic calculation of the bar and combined structures is considered. The results of the eighteen-story spatial frame free vibrations analysis using both one-dimensional and three-dimensional models of rods are presented. A comparative analysis of the obtained results is carried out and the conclusions on the possibility of three-dimensional superelements application in static and dynamic analysis of high-rise constructions are given on its basis.

Dispersion-free continuum two-dimensional electronic spectrometer

PubMed Central

Zheng, Haibin; Caram, Justin R.; Dahlberg, Peter D.; Rolczynski, Brian S.; Viswanathan, Subha; Dolzhnikov, Dmitriy S.; Khadivi, Amir; Talapin, Dmitri V.; Engel, Gregory S.

2015-01-01

Electronic dynamics span broad energy scales with ultrafast time constants in the condensed phase. Two-dimensional (2D) electronic spectroscopy permits the study of these dynamics with simultaneous resolution in both frequency and time. In practice, this technique is sensitive to changes in nonlinear dispersion in the laser pulses as time delays are varied during the experiment. We have developed a 2D spectrometer that uses broadband continuum generated in argon as the light source. Using this visible light in phase-sensitive optical experiments presents new challenges in implementation. We demonstrate all-reflective interferometric delays using angled stages. Upon selecting an ~180 nm window of the available bandwidth at ~10 fs compression, we probe the nonlinear response of broadly absorbing CdSe quantum dots and electronic transitions of Chlorophyll a. PMID:24663470

Bound states in the continuum on periodic structures: perturbation theory and robustness.

PubMed

Yuan, Lijun; Lu, Ya Yan

2017-11-01

On periodic structures, a bound state in the continuum (BIC) is a standing or propagating Bloch wave with a frequency in the radiation continuum. Some BICs (e.g., antisymmetric standing waves) are symmetry protected, since they have incompatible symmetry with outgoing waves in the radiation channels. The propagating BICs do not have this symmetry mismatch, but they still crucially depend on the symmetry of the structure. In this Letter, a perturbation theory is developed for propagating BICs on two-dimensional periodic structures. The Letter shows that these BICs are robust against structural perturbations that preserve the symmetry, indicating that these BICs, in fact, are implicitly protected by symmetry.

Diagnostic Perspectives on the Family: Process, Structural and Historical Contextual Models.

ERIC Educational Resources Information Center

Levant, Ronald F.

1983-01-01

Describes diagnostic perspectives for viewing dysfunctional families. Presents three general types of models (process, structural, and historical) and organized them along a continuum from most descriptive to most inferential. Presented at the 39th Annual Conference of the American Association for Marriage and Family Therapy, October-November…

Energy transport in a shear flow of particles in a two-dimensional dusty plasma.

PubMed

Feng, Yan; Goree, J; Liu, Bin

2012-11-01

A shear flow of particles in a laser-driven two-dimensional (2D) dusty plasma is observed in a study of viscous heating and thermal conduction. Video imaging and particle tracking yields particle velocity data, which we convert into continuum data, presented as three spatial profiles: mean particle velocity (i.e., flow velocity), mean-square particle velocity, and mean-square fluctuations of particle velocity. These profiles and their derivatives allow a spatially resolved determination of each term in the energy and momentum continuity equations, which we use for two purposes. First, by balancing these terms so that their sum (i.e., residual) is minimized while varying viscosity η and thermal conductivity κ as free parameters, we simultaneously obtain values for η and κ in the same experiment. Second, by comparing the viscous heating and thermal conduction terms, we obtain a spatially resolved characterization of the viscous heating.

A hybrid intelligent method for three-dimensional short-term prediction of dissolved oxygen content in aquaculture

PubMed Central

Yu, Huihui; Cheng, Yanjun; Cheng, Qianqian; Li, Daoliang

2018-01-01

A precise predictive model is important for obtaining a clear understanding of the changes in dissolved oxygen content in crab ponds. Highly accurate interval forecasting of dissolved oxygen content is fundamental to reduce risk, and three-dimensional prediction can provide more accurate results and overall guidance. In this study, a hybrid three-dimensional (3D) dissolved oxygen content prediction model based on a radial basis function (RBF) neural network, K-means and subtractive clustering was developed and named the subtractive clustering (SC)-K-means-RBF model. In this modeling process, K-means and subtractive clustering methods were employed to enhance the hyperparameters required in the RBF neural network model. The comparison of the predicted results of different traditional models validated the effectiveness and accuracy of the proposed hybrid SC-K-means-RBF model for three-dimensional prediction of dissolved oxygen content. Consequently, the proposed model can effectively display the three-dimensional distribution of dissolved oxygen content and serve as a guide for feeding and future studies. PMID:29466394

The underlying structure of diagnostic systems of schizophrenia: a comprehensive polydiagnostic approach.

PubMed

Peralta, Victor; Cuesta, Manuel J

2005-11-15

The objective was to ascertain the underlying factor structure of alternative definitions of schizophrenia, and to examine the distribution of schizophrenia-related variables against the resulting factor solution. Twenty-three diagnostic schemes of schizophrenia were applied to 660 patients presenting with psychotic symptoms regardless of the specific diagnosis of psychotic disorder. Factor analysis of the 23 diagnostic schemes yielded three interpretable factors explaining 58% of the variance, the first factor (general schizophrenia factor) accounting for most of the variance (36%). On the basis of the general schizophrenia factor score, the sample was divided in quintile groups representing 5 levels of schizophrenia definition (absent, doubtful, very broad, broad and narrow) and the distribution of a number of schizophrenia-related variables was examined across the groups. This grouping procedure was used for examining the comparative validity of alternative levels of categorically defined schizophrenia and an ordinal (i.e. dimensional) definition. Overall, schizophrenia-related variables displayed a dose-response relationship with level of schizophrenia definition. Logistic regression analyses revealed that the dimensional definition explained more variance in the schizophrenia-related variables than the alternative levels for defining schizophrenia categorically. These results are consistent with a unitary and dimensional construct of schizophrenia with no clear "points of rarity" at its boundaries, thus supporting the continuum hypothesis of the psychotic illness.

3DHYDROGEOCHEM: A 3-DIMENSIONAL MODEL OF DENSITY-DEPENDENT SUBSURFACE FLOW AND THERMAL MULTISPECIES-MULTICOMPONENT HYDROGEOCHEMICAL TRANSPORT

EPA Science Inventory

This report presents a three-dimensional finite-element numerical model designed to simulate chemical transport in subsurface systems with temperature effect taken into account. The three-dimensional model is developed to provide (1) a tool of application, with which one is able...

Multilevel Sequential Monte Carlo Samplers for Normalizing Constants

DOE PAGES

Moral, Pierre Del; Jasra, Ajay; Law, Kody J. H.; ...

2017-08-24

This article considers the sequential Monte Carlo (SMC) approximation of ratios of normalizing constants associated to posterior distributions which in principle rely on continuum models. Therefore, the Monte Carlo estimation error and the discrete approximation error must be balanced. A multilevel strategy is utilized to substantially reduce the cost to obtain a given error level in the approximation as compared to standard estimators. Two estimators are considered and relative variance bounds are given. The theoretical results are numerically illustrated for two Bayesian inverse problems arising from elliptic partial differential equations (PDEs). The examples involve the inversion of observations of themore » solution of (i) a 1-dimensional Poisson equation to infer the diffusion coefficient, and (ii) a 2-dimensional Poisson equation to infer the external forcing.« less

A Comparative, Developmental, and Clinical Perspective of Neurobehavioral Sexual Dimorphisms

PubMed Central

Viveros, Maria-Paz; Mendrek, Adriana; Paus, Tomáš; López-Rodríguez, Ana Belén; Marco, Eva Maria; Yehuda, Rachel; Cohen, Hagit; Lehrner, Amy; Wagner, Edward J.

2012-01-01

Women and men differ in a wide variety of behavioral traits and in their vulnerability to developing certain mental disorders. This review endeavors to explore how recent preclinical and clinical research findings have enhanced our understanding of the factors that underlie these disparities. We start with a brief overview of some of the important genetic, molecular, and hormonal determinants that contribute to the process of sexual differentiation. We then discuss the importance of animal models in studying the mechanisms responsible for sex differences in neuropsychiatric disorders (e.g., drug dependence) – with a special emphasis on experimental models based on the neurodevelopmental and “three hits” hypotheses. Next, we describe the most common brain phenotypes observed in vivo with magnetic resonance imaging. We discuss the challenges in interpreting these phenotypes vis-à-vis the underlying neurobiology and revisit the known sex differences in brain structure from birth, through adolescence, and into adulthood. This is followed by a presentation of pertinent clinical and epidemiological data that point to important sex differences in the prevalence, course, and expression of psychopathologies such as schizophrenia, and mood disorders including major depression and posttraumatic stress disorder. Recent evidence implies that mood disorders and psychosis share some common genetic predispositions and neurobiological bases. Therefore, modern research is emphasizing dimensional representation of mental disorders and conceptualization of schizophrenia and major depression as a continuum of cognitive deficits and neurobiological abnormalities. Herein, we examine available evidence on cerebral sexual dimorphism to verify if sex differences vary quantitatively and/or qualitatively along the psychoses-depression continuum. Finally, sex differences in the prevalence of posttraumatic disorder and drug abuse have been described, and we consider the genomic and molecular data supporting these differences. PMID:22701400

Binary data corruption due to a Brownian agent

NASA Astrophysics Data System (ADS)

Newman, T. J.; Triampo, Wannapong

1999-05-01

We introduce a model of binary data corruption induced by a Brownian agent (active random walker) on a d-dimensional lattice. A continuum formulation allows the exact calculation of several quantities related to the density of corrupted bits ρ, for example, the mean of ρ and the density-density correlation function. Excellent agreement is found with the results from numerical simulations. We also calculate the probability distribution of ρ in d=1, which is found to be log normal, indicating that the system is governed by extreme fluctuations.

Effects of three-dimensional velocity structure on the seismicity of the 1984 Morgan Hill, California, aftershock sequence

USGS Publications Warehouse

Michael, A.J.

1988-01-01

A three-dimensional velocity model for the area surrounding the 24 April 1984 Morgan Hill earthquake has been developed by simultaneously inverting local earthquake and refraction arrival-time data. This velocity model corresponds well to the surface geology of the region, predominantly showing a low-velocity region associated with the sedimentary sequence to the south-west of the Madrone Springs fault. The focal mechanisms were also determined for 946 earthquakes using both the one-dimensional and three-dimensional earth models. Both earth models yield similar focal mechanisms for these earthquakes. -from Author

Scale effects in crystal plasticity

NASA Astrophysics Data System (ADS)

Padubidri Janardhanachar, Guruprasad

The goal of this research work is to further the understanding of crystal plasticity, particularly at reduced structural and material length scales. Fundamental understanding of plasticity is central to various challenges facing design and manufacturing of materials for structural and electronic device applications. The development of microstructurally tailored advanced metallic materials with enhanced mechanical properties that can withstand extremes in stress, strain, and temperature, will aid in increasing the efficiency of power generating systems by allowing them to work at higher temperatures and pressures. High specific strength materials can lead to low fuel consumption in transport vehicles. Experiments have shown that enhanced mechanical properties can be obtained in materials by constraining their size, microstructure (e.g. grain size), or both for various applications. For the successful design of these materials, it is necessary to have a thorough understanding of the influence of different length scales and evolving microstructure on the overall behavior. In this study, distinction is made between the effect of structural and material length scale on the mechanical behavior of materials. A length scale associated with an underlying physical mechanism influencing the mechanical behavior can overlap with either structural length scales or material length scales. If it overlaps with structural length scales, then the material is said to be dimensionally constrained. On the other hand, if it overlaps with material length scales, for example grain size, then the material is said to be microstructurally constrained. The objectives of this research work are: (1) to investigate scale and size effects due to dimensional constraints; (2) to investigate size effects due to microstructural constraints; and (3) to develop a size dependent hardening model through coarse graining of dislocation dynamics. A discrete dislocation dynamics (DDD) framework where the scale of analysis is intermediate between a fully discretized (e.g. atomistic) and fully continuum is used for this study. This mesoscale tool allows to address all the stated objectives of this study within a single framework. Within this framework, the effect of structural and the material length scales are naturally accounted for in the simulations and need not be specified in an ad hoc manner, as in some continuum models. It holds the promise of connecting the evolution of the defect microstructure to the effective response of the crystal. Further, it provides useful information to develop physically motivated continuum models to model size effects in materials. The contributions of this study are: (a) provides a new interpretation of mechanical size effect due to only dimensional constraint using DDD; (b) a development of an experimentally validated DDD simulation methodology to model Cu micropillars; (c) a coarse graining technique using DDD to develop a phenomenological model to capture size effect on strain hardening; and (d) a development of a DDD framework for polycrystals to investigate grain size effect on yield strength and strain hardening.

Equivalent-Continuum Modeling With Application to Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

2002-01-01

A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet. A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent continuum models. As a result, an effective thickness of the continuum model has been determined. This effective thickness has been shown to be significantly larger than the interatomic spacing of graphite. The effective thickness has been shown to be significantly larger than the inter-planar spacing of graphite. The effective bending rigidity of the equivalent-continuum model of a graphene sheet was determined by equating the vibrational potential energy of the molecular model of a graphene sheet subjected to cylindrical bending with the strain energy of an equivalent continuum plate subjected to cylindrical bending.

Dynamics in a one-dimensional ferrogel model: relaxation, pairing, shock-wave propagation.

PubMed

Goh, Segun; Menzel, Andreas M; Löwen, Hartmut

2018-05-23

Ferrogels are smart soft materials, consisting of a polymeric network and embedded magnetic particles. Novel phenomena, such as the variation of the overall mechanical properties by external magnetic fields, emerge consequently. However, the dynamic behavior of ferrogels remains largely unveiled. In this paper, we consider a one-dimensional chain consisting of magnetic dipoles and elastic springs between them as a simple model for ferrogels. The model is evaluated by corresponding simulations. To probe the dynamics theoretically, we investigate a continuum limit of the energy governing the system and the corresponding equation of motion. We provide general classification scenarios for the dynamics, elucidating the touching/detachment dynamics of the magnetic particles along the chain. In particular, it is verified in certain cases that the long-time relaxation corresponds to solutions of shock-wave propagation, while formations of particle pairs underlie the initial stage of the dynamics. We expect that these results will provide insight into the understanding of the dynamics of more realistic models with randomness in parameters and time-dependent magnetic fields.

Noise Propagation and Uncertainty Quantification in Hybrid Multiphysics Models: Initiation and Reaction Propagation in Energetic Materials

DTIC Science & Technology

2016-05-23

general model for heterogeneous granular media under compaction and (ii) the lack of a reliable multiscale discrete -to-continuum framework for...dynamics. These include a continuum- discrete model of heat dissipation/diffusion and a continuum- discrete model of compaction of a granular material with...the lack of a general model for het- erogeneous granular media under compac- tion and (ii) the lack of a reliable multi- scale discrete -to-continuum

SABRINA: an interactive three-dimensional geometry-mnodeling program for MCNP

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

West, J.T. III

SABRINA is a fully interactive three-dimensional geometry-modeling program for MCNP, a Los Alamos Monte Carlo code for neutron and photon transport. In SABRINA, a user constructs either body geometry or surface geometry models and debugs spatial descriptions for the resulting objects. This enhanced capability significantly reduces effort in constructing and debugging complicated three-dimensional geometry models for Monte Carlo analysis. 2 refs., 33 figs.

Learning the Cell Structures with Three-Dimensional Models: Students' Achievement by Methods, Type of School and Questions' Cognitive Level

ERIC Educational Resources Information Center

Lazarowitz, Reuven; Naim, Raphael

2014-01-01

The cell topic was taught to 9th-grade students in three modes of instruction: (a) students "hands-on," who constructed three-dimensional cell organelles and macromolecules during the learning process; (b) teacher demonstration of the three-dimensional model of the cell structures; and (c) teaching the cell topic with the regular…

Circumstellar Structure Properties of Young Stellar Objects: Envelopes, Bipolar Outflows, and Disks

NASA Astrophysics Data System (ADS)

Kwon, Woojin

2009-12-01

Physical properties of the three main structures in young stellar objects (YSOs), envelopes, bipolar outflows, and circumstellar disks, have been studied using radio interferometers: the Berkeley-Illinois-Maryland Association (BIMA) array and the Combined Array for Research in Millimeter-wave Astronomy (CARMA). (1) Envelopes. Three Class 0 YSOs (L1448 IRS 2, L1448 IRS 3, and L1157) have been observed by CARMA at λ = 1.3 mm and 2.7 mm continuum. Through visibility modeling to fit the two wavelength continuum data simultaneously, we found that the dust opacity spectral index (β) of Class 0 YSOs is around unity, which implies that dust grains have significantly grown already at the earliest stage. In addition, we discussed the radial dependence of β detected in L1448 IRS 3B and also estimated the density distribution of the three targets. (2) Bipolar outflows. Polarimetric observations in the λ = 1.3 mm continuum and CO, as well as spectral line observations in 13CO and C18O have been carried out toward L1448 IRS 3, which has three Class 0 YSOs, using BIMA. We clearly identified two interacting bipolar outflows from the "binary system" of IRS 3A and 3B and estimated the velocity, inclination, and opening angle of the 3B bipolar outflow, using Bayesian inference. Also, we showed that the "binary system" can be bound gravitationally and we estimated the specific angular momentum, which is between those of binary stars and molecular cloud cores. In addition, we marginally detected linear polarizations at the center of IRS 3B (implying a toroidal magnetic field) in continuum and at the bipolar outflow region in CO. (3) Circumstellar disks. We present the results of 6 objects (CI Tau, DL Tau, DO Tau, FT Tau, Haro 6-13, and HL Tau) in our T Tauri disk survey using CARMA. The data consist of λ = 1.3 mm and 2.7 mm continuum with an angular resolution up to 0.13". Through visibility modeling of two disk models (power-law disk with a Gaussian edge and viscous accretion disk) to fit the two wavelength data simultaneously in Bayesian inference, we constrained disk properties. In addition, we detected a dust lane at 100 AU radius of HL Tau, which is gravitationally unstable and can be fragmented. Besides, CI Tau and DL Tau appear to have a spiral pattern. Moreover, we found that more evolved disks have a shallower density gradient and that disks with a smaller β are less massive, which implies "hidden" masses in the cold midplane and/or in large grains. Finally, we found that the accretion disk model is preferred by HL Tau, which has a strong bipolar outflow and accretion, while the power-law disk model is preferred by DL Tau, which has experienced dust settlement and has weak accretion. This implies that the accretion disk model could be applied to disks only in a limited age range.

Modeling open nanophotonic systems using the Fourier modal method: generalization to 3D Cartesian coordinates.

PubMed

Häyrynen, Teppo; Osterkryger, Andreas Dyhl; de Lasson, Jakob Rosenkrantz; Gregersen, Niels

2017-09-01

Recently, an open geometry Fourier modal method based on a new combination of an open boundary condition and a non-uniform k-space discretization was introduced for rotationally symmetric structures, providing a more efficient approach for modeling nanowires and micropillar cavities [J. Opt. Soc. Am. A33, 1298 (2016)JOAOD61084-752910.1364/JOSAA.33.001298]. Here, we generalize the approach to three-dimensional (3D) Cartesian coordinates, allowing for the modeling of rectangular geometries in open space. The open boundary condition is a consequence of having an infinite computational domain described using basis functions that expand the whole space. The strength of the method lies in discretizing the Fourier integrals using a non-uniform circular "dartboard" sampling of the Fourier k space. We show that our sampling technique leads to a more accurate description of the continuum of the radiation modes that leak out from the structure. We also compare our approach to conventional discretization with direct and inverse factorization rules commonly used in established Fourier modal methods. We apply our method to a variety of optical waveguide structures and demonstrate that the method leads to a significantly improved convergence, enabling more accurate and efficient modeling of open 3D nanophotonic structures.

Strongly bound excitons in anatase TiO 2 single crystals and nanoparticles

DOE PAGES

Baldini, E.; Chiodo, L.; Dominguez, A.; ...

2017-04-13

Anatase TiO 2 is among the most studied materials for light-energy conversion applications, but the nature of its fundamental charge excitations is still unknown. Yet it is crucial to establish whether light absorption creates uncorrelated electron-hole pairs or bound excitons and, in the latter case, to determine their character. Here, by combining steady-state angle-resolved photoemission spectroscopy and spectroscopic ellipsometry with state-of-the-art ab initio calculations, we demonstrate that the direct optical gap of single crystals is dominated by a strongly bound exciton rising over the continuum of indirect interband transitions. This exciton possesses an intermediate character between the Wannier-Mott and Frenkelmore » regimes and displays a peculiar two-dimensional wavefunction in the three-dimensional lattice. The nature of the higher-energy excitations is also identified. Furthermore, the universal validity of our results is confirmed up to room temperature by observing the same elementary excitations in defect-rich samples (doped single crystals and nanoparticles) via ultrafast two-dimensional deep-ultraviolet spectroscopy.« less

Harmonic oscillator representation in the theory of scattering and nuclear reactions

NASA Technical Reports Server (NTRS)

Smirnov, Yuri F.; Shirokov, A. M.; Lurie, Yuri, A.; Zaitsev, S. A.

1995-01-01

The following questions, concerning the application of the harmonic oscillator representation (HOR) in the theory of scattering and reactions, are discussed: the formulation of the scattering theory in HOR; exact solutions of the free motion Schroedinger equation in HOR; separable expansion of the short range potentials and the calculation of the phase shifts; 'isolated states' as generalization of the Wigner-von Neumann bound states embedded in continuum; a nuclear coupled channel problem in HOR; and the description of true three body scattering in HOR. As an illustration the soft dipole mode in the (11)Li nucleus is considered in a frame of the (9)Li+n+n cluster model taking into account of three body continuum effects.

Continuum strong-coupling expansion of Yang-Mills theory: quark confinement and infra-red slavery

NASA Astrophysics Data System (ADS)

Mansfield, Paul

1994-04-01

We solve Schrödinger's equation for the ground-state of four-dimensional Yang-Mills theory as an expansion in inverse powers of the coupling. Expectation values computed with the leading-order approximation are reduced to a calculation in two-dimensional Yang-Mills theory which is known to confine. Consequently the Wilson loop in the four-dimensional theory obeys an area law to leading order and the coupling becomes infinite as the mass scale goes to zero.

On the role of radiation and dimensionality in predicting flow opposed flame spread over thin fuels

NASA Astrophysics Data System (ADS)

Kumar, Chenthil; Kumar, Amit

2012-06-01

In this work a flame-spread model is formulated in three dimensions to simulate opposed flow flame spread over thin solid fuels. The flame-spread model is coupled to a three-dimensional gas radiation model. The experiments [1] on downward spread and zero gravity quiescent spread over finite width thin fuel are simulated by flame-spread models in both two and three dimensions to assess the role of radiation and effect of dimensionality on the prediction of the flame-spread phenomena. It is observed that while radiation plays only a minor role in normal gravity downward spread, in zero gravity quiescent spread surface radiation loss holds the key to correct prediction of low oxygen flame spread rate and quenching limit. The present three-dimensional simulations show that even in zero gravity gas radiation affects flame spread rate only moderately (as much as 20% at 100% oxygen) as the heat feedback effect exceeds the radiation loss effect only moderately. However, the two-dimensional model with the gas radiation model badly over-predicts the zero gravity flame spread rate due to under estimation of gas radiation loss to the ambient surrounding. The two-dimensional model was also found to be inadequate for predicting the zero gravity flame attributes, like the flame length and the flame width, correctly. The need for a three-dimensional model was found to be indispensable for consistently describing the zero gravity flame-spread experiments [1] (including flame spread rate and flame size) especially at high oxygen levels (>30%). On the other hand it was observed that for the normal gravity downward flame spread for oxygen levels up to 60%, the two-dimensional model was sufficient to predict flame spread rate and flame size reasonably well. Gas radiation is seen to increase the three-dimensional effect especially at elevated oxygen levels (>30% for zero gravity and >60% for normal gravity flames).

Design and Implementation of 3D Model Data Management System Based on SQL

NASA Astrophysics Data System (ADS)

Li, Shitao; Zhang, Shixin; Zhang, Zhanling; Li, Shiming; Jia, Kun; Hu, Zhongxu; Ping, Liang; Hu, Youming; Li, Yanlei

CAD/CAM technology plays an increasingly important role in the machinery manufacturing industry. As an important means of production, the accumulated three-dimensional models in many years of design work are valuable. Thus the management of these three-dimensional models is of great significance. This paper gives detailed explanation for a method to design three-dimensional model databases based on SQL and to implement the functions such as insertion, modification, inquiry, preview and so on.

Integrated Aeromechanics with Three-Dimensional Solid-Multibody Structures

NASA Technical Reports Server (NTRS)

Datta, Anubhav; Johnson, Wayne

2014-01-01

A full three-dimensional finite element-multibody structural dynamic solver is coupled to a three-dimensional Reynolds-averaged Navier-Stokes solver for the prediction of integrated aeromechanical stresses and strains on a rotor blade in forward flight. The objective is to lay the foundations of all major pieces of an integrated three-dimensional rotor dynamic analysis - from model construction to aeromechanical solution to stress/strain calculation. The primary focus is on the aeromechanical solution. Two types of three-dimensional CFD/CSD interfaces are constructed for this purpose with an emphasis on resolving errors from geometry mis-match so that initial-stage approximate structural geometries can also be effectively analyzed. A three-dimensional structural model is constructed as an approximation to a UH-60A-like fully articulated rotor. The aerodynamic model is identical to the UH-60A rotor. For preliminary validation measurements from a UH-60A high speed flight is used where CFD coupling is essential to capture the advancing side tip transonic effects. The key conclusion is that an integrated aeromechanical analysis is indeed possible with three-dimensional structural dynamics but requires a careful description of its geometry and discretization of its parts.

Three-dimensional organotypic co-culture model of intestinal epithelial cells and macrophages to study Salmonella enterica colonization patterns.

PubMed

Barrila, Jennifer; Yang, Jiseon; Crabbé, Aurélie; Sarker, Shameema F; Liu, Yulong; Ott, C Mark; Nelman-Gonzalez, Mayra A; Clemett, Simon J; Nydam, Seth D; Forsyth, Rebecca J; Davis, Richard R; Crucian, Brian E; Quiriarte, Heather; Roland, Kenneth L; Brenneman, Karen; Sams, Clarence; Loscher, Christine; Nickerson, Cheryl A

2017-01-01

Three-dimensional models of human intestinal epithelium mimic the differentiated form and function of parental tissues often not exhibited by two-dimensional monolayers and respond to Salmonella in key ways that reflect in vivo infections. To further enhance the physiological relevance of three-dimensional models to more closely approximate in vivo intestinal microenvironments encountered by Salmonella , we developed and validated a novel three-dimensional co-culture infection model of colonic epithelial cells and macrophages using the NASA Rotating Wall Vessel bioreactor. First, U937 cells were activated upon collagen-coated scaffolds. HT-29 epithelial cells were then added and the three-dimensional model was cultured in the bioreactor until optimal differentiation was reached, as assessed by immunohistochemical profiling and bead uptake assays. The new co-culture model exhibited in vivo-like structural and phenotypic characteristics, including three-dimensional architecture, apical-basolateral polarity, well-formed tight/adherens junctions, mucin, multiple epithelial cell types, and functional macrophages. Phagocytic activity of macrophages was confirmed by uptake of inert, bacteria-sized beads. Contribution of macrophages to infection was assessed by colonization studies of Salmonella pathovars with different host adaptations and disease phenotypes (Typhimurium ST19 strain SL1344 and ST313 strain D23580; Typhi Ty2). In addition, Salmonella were cultured aerobically or microaerobically, recapitulating environments encountered prior to and during intestinal infection, respectively. All Salmonella strains exhibited decreased colonization in co-culture (HT-29-U937) relative to epithelial (HT-29) models, indicating antimicrobial function of macrophages. Interestingly, D23580 exhibited enhanced replication/survival in both models following invasion. Pathovar-specific differences in colonization and intracellular co-localization patterns were observed. These findings emphasize the power of incorporating a series of related three-dimensional models within a study to identify microenvironmental factors important for regulating infection.

Inter-Joint Coordination in Producing Kicking Velocity of Taekwondo Kicks

PubMed Central

Kim, Young Kwan; Kim, Yoon Hyuk; Im, Shin Ja

2011-01-01

The purpose of this study was to investigate joint kinematics of the kicking leg in Taekwondo and to examine the role of inter-joint coordination of the leg in producing the kicking velocity. A new inter-joint coordination index that encompasses three- dimensional hip and knee motions, was defined and applied to the joint kinematic results. Twelve elite Taekwondo athletes participated in this study and performed the back kick, thrashing kick, turning-back kick and roundhouse kick. Our results indicate that the back kick utilized a combination of hip and knee extension to produce the kicking velocity, and was characterized by a pushlike movement. The thrashing kick and turning-back kick utilized a greater degree of hip abduction than the roundhouse kick and back kick, and included complicated knee motions. The new index successfully categorized the thrashing kick and turning-back kick into a push-throw continuum, indicating a change from negative index (opposite direction) to positive index (same direction) of hip and knee motions at the end of the movement. This strategy of push-throw continuum increases the kicking velocity at the moment of impact by applying a throwlike movement pattern. Key points A variety of Taekwondo kicks have unique inter-joint coordination of the kicking leg. The back kick used a combination of hip and knee extension to produce the kicking velocity, and was characterized by a pushlike movement. The new index explained well the inter-joint coordination of three DOF joint motions of two joints in producing kicking velocity (positive values for throwlike movements and negative values for pushlike movements). The index successfully categorized the thrashing kick and turning-back kick into a push-throw continuum. PMID:24149292

Inter-joint coordination in producing kicking velocity of taekwondo kicks.

PubMed

Kim, Young Kwan; Kim, Yoon Hyuk; Im, Shin Ja

2011-01-01

The purpose of this study was to investigate joint kinematics of the kicking leg in Taekwondo and to examine the role of inter-joint coordination of the leg in producing the kicking velocity. A new inter-joint coordination index that encompasses three- dimensional hip and knee motions, was defined and applied to the joint kinematic results. Twelve elite Taekwondo athletes participated in this study and performed the back kick, thrashing kick, turning-back kick and roundhouse kick. Our results indicate that the back kick utilized a combination of hip and knee extension to produce the kicking velocity, and was characterized by a pushlike movement. The thrashing kick and turning-back kick utilized a greater degree of hip abduction than the roundhouse kick and back kick, and included complicated knee motions. The new index successfully categorized the thrashing kick and turning-back kick into a push-throw continuum, indicating a change from negative index (opposite direction) to positive index (same direction) of hip and knee motions at the end of the movement. This strategy of push-throw continuum increases the kicking velocity at the moment of impact by applying a throwlike movement pattern. Key pointsA variety of Taekwondo kicks have unique inter-joint coordination of the kicking leg.The back kick used a combination of hip and knee extension to produce the kicking velocity, and was characterized by a pushlike movement.The new index explained well the inter-joint coordination of three DOF joint motions of two joints in producing kicking velocity (positive values for throwlike movements and negative values for pushlike movements).The index successfully categorized the thrashing kick and turning-back kick into a push-throw continuum.

Influence of Dzyaloshinskii-Moriya interaction and ballistic spin transport in the two and three-dimensional Heisenberg model

NASA Astrophysics Data System (ADS)

Lima, L. S.

2018-06-01

We study the effect of Dzyaloshisnkii-Moriya interaction on spin transport in the two and three-dimensional Heisenberg antiferromagnetic models in the square lattice and cubic lattice respectively. For the three-dimensional model, we obtain a large peak for the spin conductivity and therefore a finite AC conductivity. For the two-dimensional model, we have gotten the AC spin conductivity tending to the infinity at ω → 0 limit and a suave decreasing in the spin conductivity with increase of ω. We obtain a small influence of the Dzyaloshinskii-Moriya interaction on the spin conductivity in all cases analyzed.

Numerical Modeling of Three-Dimensional Confined Flows

NASA Technical Reports Server (NTRS)

Greywall, M. S.

1981-01-01

A three dimensional confined flow model is presented. The flow field is computed by calculating velocity and enthalpy along a set of streamlines. The finite difference equations are obtained by applying conservation principles to streamtubes constructed around the chosen streamlines. With appropriate substitutions for the body force terms, the approach computes three dimensional magnetohydrodynamic channel flows. A listing of a computer code, based on this approach is presented in FORTRAN IV language. The code computes three dimensional compressible viscous flow through a rectangular duct, with the duct cross section specified along the axis.

Structure of turbulence in three-dimensional boundary layers

NASA Technical Reports Server (NTRS)

Subramanian, Chelakara S.

1993-01-01

This report provides an overview of the three dimensional turbulent boundary layer concepts and of the currently available experimental information for their turbulence modeling. It is found that more reliable turbulence data, especially of the Reynolds stress transport terms, is needed to improve the existing modeling capabilities. An experiment is proposed to study the three dimensional boundary layer formed by a 'sink flow' in a fully developed two dimensional turbulent boundary layer. Also, the mean and turbulence field measurement procedure using a three component laser Doppler velocimeter is described.

Entropic manifestations of topological order in three dimensions

NASA Astrophysics Data System (ADS)

Bullivant, Alex; Pachos, Jiannis K.

2016-03-01

We evaluate the entanglement entropy of exactly solvable Hamiltonians corresponding to general families of three-dimensional topological models. We show that the modification to the entropic area law due to three-dimensional topological properties is richer than the two-dimensional case. In addition to the reduction of the entropy caused by a nonzero vacuum expectation value of contractible loop operators, a topological invariant emerges that increases the entropy if the model consists of nontrivially braiding anyons. As a result the three-dimensional topological entanglement entropy provides only partial information about the two entropic topological invariants.

Gravity-driven groundwater flow and slope failure potential: 1. Elastic effective-stress model

USGS Publications Warehouse

Iverson, Richard M.; Reid, Mark E.

1992-01-01

Hilly or mountainous topography influences gravity-driven groundwater flow and the consequent distribution of effective stress in shallow subsurface environments. Effective stress, in turn, influences the potential for slope failure. To evaluate these influences, we formulate a two-dimensional, steady state, poroelastic model. The governing equations incorporate groundwater effects as body forces, and they demonstrate that spatially uniform pore pressure changes do not influence effective stresses. We implement the model using two finite element codes. As an illustrative case, we calculate the groundwater flow field, total body force field, and effective stress field in a straight, homogeneous hillslope. The total body force and effective stress fields show that groundwater flow can influence shear stresses as well as effective normal stresses. In most parts of the hillslope, groundwater flow significantly increases the Coulomb failure potential Φ, which we define as the ratio of maximum shear stress to mean effective normal stress. Groundwater flow also shifts the locus of greatest failure potential toward the slope toe. However, the effects of groundwater flow on failure potential are less pronounced than might be anticipated on the basis of a simpler, one-dimensional, limit equilibrium analysis. This is a consequence of continuity, compatibility, and boundary constraints on the two-dimensional flow and stress fields, and it points to important differences between our elastic continuum model and limit equilibrium models commonly used to assess slope stability.

3DHYDROGEOCHEM: A 3-DIMENSIONAL MODEL OF DENSITY-DEPENDENT SUBSURFACE FLOW AND THERMAL MULTISPECIES-MULTICOMPONENT HYDROGEOCHEMICAL TRANSPORT (EPA/600/SR-98/159)

EPA Science Inventory

This report presents a three-dimensional finite-element numerical model designed to simulate chemical transport in subsurface systems with temperature effect taken into account. The three-dimensional model is developed to provide (1) a tool of application, with which one is able ...

Glueballs on the baryonic branch of Klebanov-Strassler: dimensional deconstruction and a light scalar particle

NASA Astrophysics Data System (ADS)

Elander, Daniel; Piai, Maurizio

2017-06-01

Within gauge/gravity duality, we compute the scalar and tensor mass spectrum in the boundary theory defined by the five-dimensional sigma-model coupled to gravity obtained by constraining to eight scalars the truncation on T 1,1 that corresponds to the Papadopoulos-Tseytlin (PT) ansatz. We study fluctuations around the 1-parameter family of backgrounds that lift to the baryonic branch of the Klebanov-Strassler (KS) system, and interpolates between the KS background and the Maldacena-Nunez one (CVMN). We adopt a gauge invariant formalism in the treatment of the fluctuations that we interpret as states of the dual theory. The tensor spectrum interpolates between the discrete spectrum of the KS background and the continuum spectrum of the CVMN background, in particular showing the emergence of a finite energy range containing a dense set of states, as expected from dimensional deconstruction. The scalar spectrum shows analogous features, and in addition it contains one state that becomes parametrically light far from the origin along the baryonic branch.

Defects in crystalline packings of twisted filament bundles. I. Continuum theory of disclinations.

PubMed

Grason, Gregory M

2012-03-01

We develop the theory of the coupling between in-plane order and out-of-plane geometry in twisted, two-dimensionally ordered filament bundles based on the nonlinear continuum elasticity theory of columnar materials. We show that twisted textures of filament backbones necessarily introduce stresses into the cross-sectional packing of bundles and that these stresses are formally equivalent to the geometrically induced stresses generated in thin elastic sheets that are forced to adopt spherical curvature. As in the case of crystalline order on curved membranes, geometrically induced stresses couple elastically to the presence of topological defects in the in-plane order. We derive the effective theory of multiple disclination defects in the cross section of bundle with a fixed twist and show that above a critical degree of twist, one or more fivefold disclinations is favored in the elastic energy ground state. We study the structure and energetics of multidisclination packings based on models of equilibrium and nonequilibrium cross-sectional order.

Clinical application of three-dimensional printing to the management of complex univentricular hearts with abnormal systemic or pulmonary venous drainage.

PubMed

McGovern, Eimear; Kelleher, Eoin; Snow, Aisling; Walsh, Kevin; Gadallah, Bassem; Kutty, Shelby; Redmond, John M; McMahon, Colin J

2017-09-01

In recent years, three-dimensional printing has demonstrated reliable reproducibility of several organs including hearts with complex congenital cardiac anomalies. This represents the next step in advanced image processing and can be used to plan surgical repair. In this study, we describe three children with complex univentricular hearts and abnormal systemic or pulmonary venous drainage, in whom three-dimensional printed models based on CT data assisted with preoperative planning. For two children, after group discussion and examination of the models, a decision was made not to proceed with surgery. We extend the current clinical experience with three-dimensional printed modelling and discuss the benefits of such models in the setting of managing complex surgical problems in children with univentricular circulation and abnormal systemic or pulmonary venous drainage.

Electrostatics of aquaporin and aquaglyceroporin channels correlates with their transport selectivity

PubMed Central

Oliva, Romina; Calamita, Giuseppe; Thornton, Janet M.; Pellegrini-Calace, Marialuisa

2010-01-01

Aquaporins are homotetrameric channel proteins, which allow the diffusion of water and small solutes across biological membranes. According to their transport function, aquaporins can be divided into “orthodox aquaporins”, which allow the flux of water molecules only, and “aquaglyceroporins”, which facilitate the diffusion of glycerol and other small solutes in addition to water. The contribution of individual residues in the pore to the selectivity of orthodox aquaporins and aquaglyceroporins is not yet fully understood. To gain insights into aquaporin selectivity, we focused on the sequence variation and electrostatics of their channels. The continuum Poisson-Boltzmann electrostatic potential along the channel was calculated and compared for ten three-dimensional-structures which are representatives of different aquaporin subfamilies, and a panel of functionally characterized mutants, for which high-accuracy three-dimensional-models could be derived. Interestingly, specific electrostatic profiles associated with the main selectivity to water or glycerol could be identified. In particular: (i) orthodox aquaporins showed a distinctive electrostatic potential maximum at the periplasmic side of the channel around the aromatic/Arg (ar/R) constriction site; (ii) aquaporin-0 (AQP0), a mammalian aquaporin with considerably low water permeability, had an additional deep minimum at the cytoplasmic side; (iii) aquaglyceroporins showed a rather flat potential all along the channel; and (iv) the bifunctional protozoan PfAQP had an unusual all negative profile. Evaluation of electrostatics of the mutants, along with a thorough sequence analysis of the aquaporin pore-lining residues, illuminated the contribution of specific residues to the electrostatics of the channels and possibly to their selectivity. PMID:20147624

Suitability of a three-dimensional model to measure empathy and its relationship with social and normative adjustment in Spanish adolescents: a cross-sectional study

PubMed Central

Gómez-Ortiz, Olga; Ortega-Ruiz, Rosario; Jolliffe, Darrick; Romera, Eva M.

2017-01-01

Objectives (1) To examine the psychometric properties of the Basic Empathy Scale (BES) with Spanish adolescents, comparing a two and a three-dimensional structure;(2) To analyse the relationship between the three-dimensional empathy and social and normative adjustment in school. Design Transversal and ex post facto retrospective study. Confirmatory factorial analysis, multifactorial invariance analysis and structural equations models were used. Participants 747 students (51.3% girls) from Cordoba, Spain, aged 12–17 years (M=13.8; SD=1.21). Results The original two-dimensional structure was confirmed (cognitive empathy, affective empathy), but a three-dimensional structure showed better psychometric properties, highlighting the good fit found in confirmatory factorial analysis and adequate internal consistent valued, measured with Cronbach’s alpha and McDonald’s omega. Composite reliability and average variance extracted showed better indices for a three-factor model. The research also showed evidence of measurement invariance across gender. All the factors of the final three-dimensional BES model were direct and significantly associated with social and normative adjustment, being most strongly related to cognitive empathy. Conclusions This research supports the advances in neuroscience, developmental psychology and psychopathology through a three-dimensional version of the BES, which represents an improvement in the original two-factorial model. The organisation of empathy in three factors benefits the understanding of social and normative adjustment in adolescents, in which emotional disengagement favours adjusted peer relationships. Psychoeducational interventions aimed at improving the quality of social life in schools should target these components of empathy. PMID:28951400

Continuum modelling of segregating tridisperse granular chute flow

NASA Astrophysics Data System (ADS)

Deng, Zhekai; Umbanhowar, Paul B.; Ottino, Julio M.; Lueptow, Richard M.

2018-03-01

Segregation and mixing of size multidisperse granular materials remain challenging problems in many industrial applications. In this paper, we apply a continuum-based model that captures the effects of segregation, diffusion and advection for size tridisperse granular flow in quasi-two-dimensional chute flow. The model uses the kinematics of the flow and other physical parameters such as the diffusion coefficient and the percolation length scale, quantities that can be determined directly from experiment, simulation or theory and that are not arbitrarily adjustable. The predictions from the model are consistent with experimentally validated discrete element method (DEM) simulations over a wide range of flow conditions and particle sizes. The degree of segregation depends on the Péclet number, Pe, defined as the ratio of the segregation rate to the diffusion rate, the relative segregation strength κij between particle species i and j, and a characteristic length L, which is determined by the strength of segregation between smallest and largest particles. A parametric study of particle size, κij, Pe and L demonstrates how particle segregation patterns depend on the interplay of advection, segregation and diffusion. Finally, the segregation pattern is also affected by the velocity profile and the degree of basal slip at the chute surface. The model is applicable to different flow geometries, and should be easily adapted to segregation driven by other particle properties such as density and shape.

{Γ}-Convergence Analysis of a Generalized XY Model: Fractional Vortices and String Defects

NASA Astrophysics Data System (ADS)

Badal, Rufat; Cicalese, Marco; De Luca, Lucia; Ponsiglione, Marcello

2018-03-01

We propose and analyze a generalized two dimensional XY model, whose interaction potential has n weighted wells, describing corresponding symmetries of the system. As the lattice spacing vanishes, we derive by {Γ}-convergence the discrete-to-continuum limit of this model. In the energy regime we deal with, the asymptotic ground states exhibit fractional vortices, connected by string defects. The {Γ}-limit takes into account both contributions, through a renormalized energy, depending on the configuration of fractional vortices, and a surface energy, proportional to the length of the strings. Our model describes in a simple way several topological singularities arising in Physics and Materials Science. Among them, disclinations and string defects in liquid crystals, fractional vortices and domain walls in micromagnetics, partial dislocations and stacking faults in crystal plasticity.

Competition in high dimensional spaces using a sparse approximation of neural fields.

PubMed

Quinton, Jean-Charles; Girau, Bernard; Lefort, Mathieu

2011-01-01

The Continuum Neural Field Theory implements competition within topologically organized neural networks with lateral inhibitory connections. However, due to the polynomial complexity of matrix-based implementations, updating dense representations of the activity becomes computationally intractable when an adaptive resolution or an arbitrary number of input dimensions is required. This paper proposes an alternative to self-organizing maps with a sparse implementation based on Gaussian mixture models, promoting a trade-off in redundancy for higher computational efficiency and alleviating constraints on the underlying substrate.This version reproduces the emergent attentional properties of the original equations, by directly applying them within a continuous approximation of a high dimensional neural field. The model is compatible with preprocessed sensory flows but can also be interfaced with artificial systems. This is particularly important for sensorimotor systems, where decisions and motor actions must be taken and updated in real-time. Preliminary tests are performed on a reactive color tracking application, using spatially distributed color features.

Building the 3D Geological Model of Wall Rock of Salt Caverns Based on Integration Method of Multi-source data

NASA Astrophysics Data System (ADS)

Yongzhi, WANG; hui, WANG; Lixia, LIAO; Dongsen, LI

2017-02-01

In order to analyse the geological characteristics of salt rock and stability of salt caverns, rough three-dimensional (3D) models of salt rock stratum and the 3D models of salt caverns on study areas are built by 3D GIS spatial modeling technique. During implementing, multi-source data, such as basic geographic data, DEM, geological plane map, geological section map, engineering geological data, and sonar data are used. In this study, the 3D spatial analyzing and calculation methods, such as 3D GIS intersection detection method in three-dimensional space, Boolean operations between three-dimensional space entities, three-dimensional space grid discretization, are used to build 3D models on wall rock of salt caverns. Our methods can provide effective calculation models for numerical simulation and analysis of the creep characteristics of wall rock in salt caverns.

A taxometric study of hypochondriasis symptoms.

PubMed

Longley, Susan L; Broman-Fulks, Joshua J; Calamari, John E; Noyes, Russell; Wade, Michael; Orlando, Carissa M

2010-12-01

Hypochondriasis has been conceptualized as both a distinct category that is characterized by a disabling illness preoccupation and as a continuum of health concerns. Empirical support for one of these theoretical models will clarify inconsistent assessment approaches and study designs that have impeded theory and research. To facilitate progress, taxometric analyses were conducted to determine whether hypochondriasis is best understood as a discrete category, consistent with the DSM, or as a dimensional entity, consistent with prevailing opinion and most self-report measures. Data from a large undergraduate sample that completed 3 hypochondriasis symptom measures were factor analyzed. The 4 factor analytically derived symptom indicators were then used in these taxometric analyses. Consistent with our hypotheses and existing theory, results supported a dimensional structure for hypochondriasis. Implications for the conceptualization of hypochondriasis and directions for future study are discussed. Copyright © 2010. Published by Elsevier Ltd.

Item Response Theory Analyses of the Cambridge Face Memory Test (CFMT)

PubMed Central

Cho, Sun-Joo; Wilmer, Jeremy; Herzmann, Grit; McGugin, Rankin; Fiset, Daniel; Van Gulick, Ana E.; Ryan, Katie; Gauthier, Isabel

2014-01-01

We evaluated the psychometric properties of the Cambridge face memory test (CFMT; Duchaine & Nakayama, 2006). First, we assessed the dimensionality of the test with a bi-factor exploratory factor analysis (EFA). This EFA analysis revealed a general factor and three specific factors clustered by targets of CFMT. However, the three specific factors appeared to be minor factors that can be ignored. Second, we fit a unidimensional item response model. This item response model showed that the CFMT items could discriminate individuals at different ability levels and covered a wide range of the ability continuum. We found the CFMT to be particularly precise for a wide range of ability levels. Third, we implemented item response theory (IRT) differential item functioning (DIF) analyses for each gender group and two age groups (Age ≤ 20 versus Age > 21). This DIF analysis suggested little evidence of consequential differential functioning on the CFMT for these groups, supporting the use of the test to compare older to younger, or male to female, individuals. Fourth, we tested for a gender difference on the latent facial recognition ability with an explanatory item response model. We found a significant but small gender difference on the latent ability for face recognition, which was higher for women than men by 0.184, at age mean 23.2, controlling for linear and quadratic age effects. Finally, we discuss the practical considerations of the use of total scores versus IRT scale scores in applications of the CFMT. PMID:25642930

Line-dependent veiling in very active classical T Tauri stars

NASA Astrophysics Data System (ADS)

Rei, A. C. S.; Petrov, P. P.; Gameiro, J. F.

2018-02-01

Context. The T Tauri stars with active accretion disks show veiled photospheric spectra. This is supposedly due to non-photospheric continuum radiated by hot spots beneath the accretion shocks at stellar surface and/or chromospheric emission lines radiated by the post-shocked gas. The amount of veiling is often considered as a measure of the mass-accretion rate. Aim. We analysed high-resolution photospheric spectra of accreting T Tauri stars LkHα 321, V1331 Cyg, and AS 353A with the aim of clarifying the nature of the line-dependent veiling. Each of these objects shows a strong emission line spectrum and powerful wind features indicating high rates of accretion and mass loss. Methods: Equivalent widths of hundreds of weak photospheric lines were measured in the observed spectra of high quality and compared with those in synthetic spectra of appropriate models of stellar atmospheres. Results: The photospheric spectra of the three T Tauri stars are highly veiled. We found that the veiling is strongly line-dependent: larger in stronger photospheric lines and weak or absent in the weakest ones. No dependence of veiling on excitation potential within 0 to 5 eV was found. Different physical processes responsible for these unusual veiling effects are discussed in the framework of the magnetospheric accretion model. Conclusions: The observed veiling has two origins: (1) an abnormal structure of stellar atmosphere heated up by the accreting matter, and (2) a non-photospheric continuum radiated by a hot spot with temperature lower than 10 000 K. The true level of the veiling continuum can be derived by measuring the weakest photospheric lines with equivalent widths down to ≈10 mÅ. A limited spectral resolution and/or low signal-to-noise ratio results in overestimation of the veiling continuum. In the three very active stars, the veiling continuum is a minor contributor to the observed veiling, while the major contribution comes from the line-dependent veiling.

Probing quasi-one-dimensional band structures by plasmon spectroscopy

NASA Astrophysics Data System (ADS)

Lichtenstein, T.; Mamiyev, Z.; Braun, C.; Sanna, S.; Schmidt, W. G.; Tegenkamp, C.; Pfnür, H.

2018-04-01

The plasmon dispersion is inherently related to the continuum of electron-hole pair excitations. Therefore, the comparison of this continuum, as derived from band structure calculations, with experimental data of plasmon dispersion, can yield direct information about the form of the occupied as well as the unoccupied band structure in the vicinity of the Fermi level. The relevance of this statement is illustrated by a detailed analysis of plasmon dispersions in quasi-one-dimensional systems combining experimental electron energy loss spectroscopy with quantitative density-functional theory (DFT) calculations. Si(557)-Au and Si(335)-Au with single atomic chains per terrace are compared with the Si(775)-Au system, which has a double Au chain on each terrace. We demonstrate that both hybridization between Si surface states and the Au chains as well as electronic correlations lead to increasing deviations from the nearly free electron picture that is suggested by a too simple interpretation of data of angular resolved photoemission (ARPES) of these systems, particularly for the double chain system. These deviations are consistently predicted by the DFT calculations. Thus also dimensional crossover can be explained.

Morphology of transverse aeolian ridges (TARs) on Mars from a large sample: Further evidence of a megaripple origin?

NASA Astrophysics Data System (ADS)

Hugenholtz, Chris H.; Barchyn, Thomas E.; Boulding, Adam

2017-04-01

Using HiRISE digital terrain models (DTMs), we developed a large morphological dataset to examine the three-dimensional shape, size, and scaling of Martian transverse aeolian ridges (TARs). Considerable debate exists on the characteristic morphology of TARs and the origins of these enigmatic bedforms. Some researchers suggest polygenesis or multiple classes of similar bedforms. Reliably characterizing the morphology of TARs is an essential prerequisite to developing and evaluating process-based models of TAR genesis and unraveling aeolian processes on the surface of Mars. We present measurements of TAR morphology from a large, DTM-derived dataset (n = 2295). We focused on TARs with 'simple' morphologies in order enable more defensible discretization. Histograms and cumulative log-frequency plots of morphometric parameters (length, width, height, elongation ratio, and wavelength) indicate the sample represents a continuum of bedforms from a single population. A typical TAR from our dataset is 88.5 m long (longest planview axis), 17.3 m wide (shortest planview axis), 1.3 m tall, and has a wavelength of 25.8 m. Combined with these data, the bulk of evidence presented to date suggests that interpreting TARs as megaripples is the most viable working hypothesis.

Equivalent-Continuum Modeling of Nano-Structured Materials

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

2001-01-01

A method has been developed for modeling structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As an important example with direct application to the development and characterization of single-walled carbon nanotubes, the model has been applied to determine the effective continuum geometry of a graphene sheet. A representative volume element of the equivalent-continuum model has been developed with an effective thickness. This effective thickness has been shown to be similar to, but slightly smaller than, the interatomic spacing of graphite.

Comparison of 2D Finite Element Modeling Assumptions with Results From 3D Analysis for Composite Skin-Stiffener Debonding

NASA Technical Reports Server (NTRS)

Krueger, Ronald; Paris, Isbelle L.; OBrien, T. Kevin; Minguet, Pierre J.

2004-01-01

The influence of two-dimensional finite element modeling assumptions on the debonding prediction for skin-stiffener specimens was investigated. Geometrically nonlinear finite element analyses using two-dimensional plane-stress and plane-strain elements as well as three different generalized plane strain type approaches were performed. The computed skin and flange strains, transverse tensile stresses and energy release rates were compared to results obtained from three-dimensional simulations. The study showed that for strains and energy release rate computations the generalized plane strain assumptions yielded results closest to the full three-dimensional analysis. For computed transverse tensile stresses the plane stress assumption gave the best agreement. Based on this study it is recommended that results from plane stress and plane strain models be used as upper and lower bounds. The results from generalized plane strain models fall between the results obtained from plane stress and plane strain models. Two-dimensional models may also be used to qualitatively evaluate the stress distribution in a ply and the variation of energy release rates and mixed mode ratios with delamination length. For more accurate predictions, however, a three-dimensional analysis is required.

Influence of 2D Finite Element Modeling Assumptions on Debonding Prediction for Composite Skin-stiffener Specimens Subjected to Tension and Bending

NASA Technical Reports Server (NTRS)

Krueger, Ronald; Minguet, Pierre J.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

The influence of two-dimensional finite element modeling assumptions on the debonding prediction for skin-stiffener specimens was investigated. Geometrically nonlinear finite element analyses using two-dimensional plane-stress and plane strain elements as well as three different generalized plane strain type approaches were performed. The computed deflections, skin and flange strains, transverse tensile stresses and energy release rates were compared to results obtained from three-dimensional simulations. The study showed that for strains and energy release rate computations the generalized plane strain assumptions yielded results closest to the full three-dimensional analysis. For computed transverse tensile stresses the plane stress assumption gave the best agreement. Based on this study it is recommended that results from plane stress and plane strain models be used as upper and lower bounds. The results from generalized plane strain models fall between the results obtained from plane stress and plane strain models. Two-dimensional models may also be used to qualitatively evaluate the stress distribution in a ply and the variation of energy release rates and mixed mode ratios with lamination length. For more accurate predictions, however, a three-dimensional analysis is required.

Prediction of Size Effects in Notched Laminates Using Continuum Damage Mechanics

NASA Technical Reports Server (NTRS)

Camanho, D. P.; Maimi, P.; Davila, C. G.

2007-01-01

This paper examines the use of a continuum damage model to predict strength and size effects in notched carbon-epoxy laminates. The effects of size and the development of a fracture process zone before final failure are identified in an experimental program. The continuum damage model is described and the resulting predictions of size effects are compared with alternative approaches: the point stress and the inherent flaw models, the Linear-Elastic Fracture Mechanics approach, and the strength of materials approach. The results indicate that the continuum damage model is the most accurate technique to predict size effects in composites. Furthermore, the continuum damage model does not require any calibration and it is applicable to general geometries and boundary conditions.

Adaptation of an articulated fetal skeleton model to three-dimensional fetal image data

NASA Astrophysics Data System (ADS)

Klinder, Tobias; Wendland, Hannes; Wachter-Stehle, Irina; Roundhill, David; Lorenz, Cristian

2015-03-01

The automatic interpretation of three-dimensional fetal images poses specific challenges compared to other three-dimensional diagnostic data, especially since the orientation of the fetus in the uterus and the position of the extremities is highly variable. In this paper, we present a comprehensive articulated model of the fetal skeleton and the adaptation of the articulation for pose estimation in three-dimensional fetal images. The model is composed out of rigid bodies where the articulations are represented as rigid body transformations. Given a set of target landmarks, the model constellation can be estimated by optimization of the pose parameters. Experiments are carried out on 3D fetal MRI data yielding an average error per case of 12.03+/-3.36 mm between target and estimated landmark positions.

A Three-Dimensional Statistical Average Skull: Application of Biometric Morphing in Generating Missing Anatomy.

PubMed

Teshima, Tara Lynn; Patel, Vaibhav; Mainprize, James G; Edwards, Glenn; Antonyshyn, Oleh M

2015-07-01

The utilization of three-dimensional modeling technology in craniomaxillofacial surgery has grown exponentially during the last decade. Future development, however, is hindered by the lack of a normative three-dimensional anatomic dataset and a statistical mean three-dimensional virtual model. The purpose of this study is to develop and validate a protocol to generate a statistical three-dimensional virtual model based on a normative dataset of adult skulls. Two hundred adult skull CT images were reviewed. The average three-dimensional skull was computed by processing each CT image in the series using thin-plate spline geometric morphometric protocol. Our statistical average three-dimensional skull was validated by reconstructing patient-specific topography in cranial defects. The experiment was repeated 4 times. In each case, computer-generated cranioplasties were compared directly to the original intact skull. The errors describing the difference between the prediction and the original were calculated. A normative database of 33 adult human skulls was collected. Using 21 anthropometric landmark points, a protocol for three-dimensional skull landmarking and data reduction was developed and a statistical average three-dimensional skull was generated. Our results show the root mean square error (RMSE) for restoration of a known defect using the native best match skull, our statistical average skull, and worst match skull was 0.58, 0.74, and 4.4  mm, respectively. The ability to statistically average craniofacial surface topography will be a valuable instrument for deriving missing anatomy in complex craniofacial defects and deficiencies as well as in evaluating morphologic results of surgery.

Music Signal Processing Using Vector Product Neural Networks

NASA Astrophysics Data System (ADS)

Fan, Z. C.; Chan, T. S.; Yang, Y. H.; Jang, J. S. R.

2017-05-01

We propose a novel neural network model for music signal processing using vector product neurons and dimensionality transformations. Here, the inputs are first mapped from real values into three-dimensional vectors then fed into a three-dimensional vector product neural network where the inputs, outputs, and weights are all three-dimensional values. Next, the final outputs are mapped back to the reals. Two methods for dimensionality transformation are proposed, one via context windows and the other via spectral coloring. Experimental results on the iKala dataset for blind singing voice separation confirm the efficacy of our model.

Effects of continuum breakdown on hypersonic aerothermodynamics for reacting flow

NASA Astrophysics Data System (ADS)

Holman, Timothy D.; Boyd, Iain D.

2011-02-01

This study investigates the effects of continuum breakdown on the surface aerothermodynamic properties (pressure, stress, and heat transfer rate) of a sphere in a Mach 25 flow of reacting air in regimes varying from continuum to a rarefied gas. Results are generated using both continuum [computational fluid dynamics (CFD)] and particle [direct simulation Monte Carlo (DSMC)] approaches. The DSMC method utilizes a chemistry model that calculates the backward rates from an equilibrium constant. A preferential dissociation model is modified in the CFD method to better compare with the vibrationally favored dissociation model that is utilized in the DSMC method. Tests of these models are performed to confirm their validity and to compare the chemistry models in both numerical methods. This study examines the effect of reacting air flow on continuum breakdown and the surface properties of the sphere. As the global Knudsen number increases, the amount of continuum breakdown in the flow and on the surface increases. This increase in continuum breakdown significantly affects the surface properties, causing an increase in the differences between CFD and DSMC. Explanations are provided for the trends observed.

The cause of spatial structure in solar He I 1083 nm multiplet images

NASA Astrophysics Data System (ADS)

Leenaarts, Jorrit; Golding, Thomas; Carlsson, Mats; Libbrecht, Tine; Joshi, Jayant

2016-10-01

Context. The He I 1083 nm is a powerful diagnostic for inferring properties of the upper solar chromosphere, in particular for the magnetic field. The basic formation of the line in one-dimensional models is well understood, but the influence of the complex three-dimensional structure of the chromosphere and corona has however never been investigated. This structure must play an essential role because images taken in He I 1083 nm show structures with widths down to 100 km. Aims: We aim to understand the effect of the three-dimensional temperature and density structure in the solar atmosphere on the formation of the He I 1083 nm line. Methods: We solved the non-LTE radiative transfer problem assuming statistical equilibrium for a simple nine-level helium atom that nevertheless captures all essential physics. As a model atmosphere we used a snapshot from a 3D radiation-MHD simulation computed with the Bifrost code. Ionising radiation from the corona was self-consistently taken into account. Results: The emergent intensity in the He I 1083 nm is set by the source function and the opacity in the upper chromosphere. The former is dominated by scattering of photospheric radiation and does not vary much with spatial location. The latter is determined by the photonionisation rate in the He I ground state continuum, as well as the electron density in the chromosphere. The spatial variation of the flux of ionising radiation is caused by the spatially-structured emissivity of the ionising photons from material at T ≈ 100 kK in the transition region. The hotter coronal material produces more ionising photons, but the resulting radiation field is smooth and does not lead to small-scale variation of the UV flux. The corrugation of the transition region further increases the spatial variation of the amount of UV radiation in the chromosphere. Finally we find that variations in the chromospheric electron density also cause strong variation in He I 1083 nm opacity. We compare our findings to observations using SST, IRIS and SDO/AIA data. A movie associated to Fig. 4 is available at http://www.aanda.org

Three-dimensional finite element analysis for high velocity impact. [of projectiles from space debris

NASA Technical Reports Server (NTRS)

Chan, S. T. K.; Lee, C. H.; Brashears, M. R.

1975-01-01

A finite element algorithm for solving unsteady, three-dimensional high velocity impact problems is presented. A computer program was developed based on the Eulerian hydroelasto-viscoplastic formulation and the utilization of the theorem of weak solutions. The equations solved consist of conservation of mass, momentum, and energy, equation of state, and appropriate constitutive equations. The solution technique is a time-dependent finite element analysis utilizing three-dimensional isoparametric elements, in conjunction with a generalized two-step time integration scheme. The developed code was demonstrated by solving one-dimensional as well as three-dimensional impact problems for both the inviscid hydrodynamic model and the hydroelasto-viscoplastic model.

Revisiting the continuum model of tendon pathology: what is its merit in clinical practice and research?

PubMed Central

Cook, J L; Rio, E; Purdam, C R; Docking, S I

2016-01-01

The pathogenesis of tendinopathy and the primary biological change in the tendon that precipitates pathology have generated several pathoaetiological models in the literature. The continuum model of tendon pathology, proposed in 2009, synthesised clinical and laboratory-based research to guide treatment choices for the clinical presentations of tendinopathy. While the continuum has been cited extensively in the literature, its clinical utility has yet to be fully elucidated. The continuum model proposed a model for staging tendinopathy based on the changes and distribution of disorganisation within the tendon. However, classifying tendinopathy based on structure in what is primarily a pain condition has been challenged. The interplay between structure, pain and function is not yet fully understood, which has partly contributed to the complex clinical picture of tendinopathy. Here we revisit and assess the merit of the continuum model in the context of new evidence. We (1) summarise new evidence in tendinopathy research in the context of the continuum, (2) discuss tendon pain and the relevance of a model based on structure and (3) describe relevant clinical elements (pain, function and structure) to begin to build a better understanding of the condition. Our goal is that the continuum model may help guide targeted treatments and improved patient outcomes. PMID:27127294

Spontaneous Contractility-Mediated Cortical Flow Generates Cell Migration in Three-Dimensional Environments

PubMed Central

Hawkins, Rhoda J.; Poincloux, Renaud; Bénichou, Olivier; Piel, Matthieu; Chavrier, Philippe; Voituriez, Raphaël

2011-01-01

We present a model of cell motility generated by actomyosin contraction of the cell cortex. We identify, analytically, dynamical instabilities of the cortex and show that they yield steady-state cortical flows, which, in turn, can induce cell migration in three-dimensional environments. This mechanism relies on the regulation of contractility by myosin, whose transport is explicitly taken into account in the model. Theoretical predictions are compared to experimental data of tumor cells migrating in three-dimensional matrigel and suggest that this mechanism could be a general mode of cell migration in three-dimensional environments. PMID:21889440

Coupling continuum dislocation transport with crystal plasticity for application to shock loading conditions

DOE PAGES

Luscher, Darby Jon; Mayeur, Jason Rhea; Mourad, Hashem Mohamed; ...

2015-08-05

Here, we have developed a multi-physics modeling approach that couples continuum dislocation transport, nonlinear thermoelasticity, crystal plasticity, and consistent internal stress and deformation fields to simulate the single-crystal response of materials under extreme dynamic conditions. Dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. Nonlinear thermoelasticity provides a thermodynamically consistent equation of state to relate stress (including pressure), temperature, energy densities, and dissipation. Crystal plasticity is coupled to dislocation transport via Orowan's expression where the constitutive description makes use of recent advances in dislocation velocity theories applicable under extreme loading conditions.more » The configuration of geometrically necessary dislocation density gives rise to an internal stress field that can either inhibit or accentuate the flow of dislocations. An internal strain field associated with the internal stress field contributes to the kinematic decomposition of the overall deformation. The paper describes each theoretical component of the framework, key aspects of the constitutive theory, and some details of a one-dimensional implementation. Results from single-crystal copper plate impact simulations are discussed in order to highlight the role of dislocation transport and pile-up in shock loading regimes. The main conclusions of the paper reinforce the utility of the modeling approach to shock problems.« less

Magnetic Resonance Imaging of Three-Dimensional Cervical Anatomy in the Second and Third Trimester

PubMed Central

HOUSE, Michael; BHADELIA, Rafeeque A.; MYERS, Kristin; SOCRATE, Simona

2009-01-01

OBJECTIVE Although a short cervix is known to be associated with preterm birth, the patterns of three-dimensional, anatomic changes leading to a short cervix are unknown. Our objective was to 1) construct three-dimensional anatomic models during normal pregnancy and 2) use the models to compare cervical anatomy in the second and third trimester. STUDY DESIGN A cross sectional study was performed in a population of patients referred to magnetic resonance imaging (MRI) for a fetal indication. Using magnetic resonance images for guidance, three-dimensional solid models of the following anatomic structures were constructed: amniotic cavity, uterine wall, cervical stroma, cervical mucosa and anterior vaginal wall. To compare cervical anatomy in the second and third trimester, models were matched according the size of the bony pelvis. RESULTS Fourteen patients were imaged and divided into two groups according to gestational age: 20 – 24 weeks (n=7)) and 31 – 36 weeks (n=7). Compared to the second trimester, the third trimester was associated with significant descent of the amniotic sac. (p=.02). Descent of the amniotic sac was associated with modified anatomy of the uterocervical junction. These 3-dimensional changes were associated with a cervix that appeared shorter in the third trimester. CONCLUSION We report a technique for constructing MRI-based, three-dimensional anatomic models during pregnancy. Compared to the second trimester, the third trimester is associated with three-dimensional changes in the cervix and lower uterine segment. PMID:19297070

Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions

DOE PAGES

Xu, Shuozhi; Xiong, Liming; Chen, Youping; ...

2017-04-26

Dislocation/stacking fault interactions play an important role in the plastic deformation of metallic nanocrystals and polycrystals. These interactions have been explored in atomistic models, which are limited in scale length by high computational cost. In contrast, multiscale material modeling approaches have the potential to simulate the same systems at a fraction of the computational cost. In this paper, we validate the concurrent atomistic-continuum (CAC) method on the interactions between a lattice screw dislocation and a stacking fault (SF) in three face-centered cubic metallic materials—Ni, Al, and Ag. Two types of SFs are considered: intrinsic SF (ISF) and extrinsic SF (ESF).more » For the three materials at different strain levels, two screw dislocation/ISF interaction modes (annihilation of the ISF and transmission of the dislocation across the ISF) and three screw dislocation/ESF interaction modes (transformation of the ESF into a three-layer twin, transformation of the ESF into an ISF, and transmission of the dislocation across the ESF) are identified. Here, our results show that CAC is capable of accurately predicting the dislocation/SF interaction modes with greatly reduced DOFs compared to fully-resolved atomistic simulations.« less

Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions

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

Xu, Shuozhi; Xiong, Liming; Chen, Youping

Dislocation/stacking fault interactions play an important role in the plastic deformation of metallic nanocrystals and polycrystals. These interactions have been explored in atomistic models, which are limited in scale length by high computational cost. In contrast, multiscale material modeling approaches have the potential to simulate the same systems at a fraction of the computational cost. In this paper, we validate the concurrent atomistic-continuum (CAC) method on the interactions between a lattice screw dislocation and a stacking fault (SF) in three face-centered cubic metallic materials—Ni, Al, and Ag. Two types of SFs are considered: intrinsic SF (ISF) and extrinsic SF (ESF).more » For the three materials at different strain levels, two screw dislocation/ISF interaction modes (annihilation of the ISF and transmission of the dislocation across the ISF) and three screw dislocation/ESF interaction modes (transformation of the ESF into a three-layer twin, transformation of the ESF into an ISF, and transmission of the dislocation across the ESF) are identified. Here, our results show that CAC is capable of accurately predicting the dislocation/SF interaction modes with greatly reduced DOFs compared to fully-resolved atomistic simulations.« less

Numerical simulation of the three-dimensional river antidunes

NASA Astrophysics Data System (ADS)

Iwasaki, T.; Inoue, T.; Onda, S.; Yabe, H.

2017-12-01

This study presents numerical simulations of the formation and development of the three-dimensional river antidunes. We use a Boussinesq type depth-integrated hydrodynamic model to account for the non-hydrostatic pressure effects on the flow field, dissipative feature of the free surface and the bed shear stress distribution. In addition, a non-equilibrium bedload transport model is incorporated into the model to consider the lag effect of the bedload transport on the bedform dynamics. The model is applied to idealized laboratory-scale conditions, i.e., steady water and sediment supplies, uniform sediment and a straight channel with constant slope and channel width, to understand the model performance and applicability. The results show that the model is able to reproduce an upstream-migrating antidunes and associated free surface dynamics. The model also captures the formation of the two dimensional and the three-dimensional antidunes. The antidunes reproduced by the model are somewhat unstable, i.e., the repeated cycle of dissipation and regeneration of antidunes is observed. In addition, as the calculation progresses, the modelled three-dimensional antidunes generally tend to lose their three-dimensionality, i.e., the reduction of the spanwise wavenumber. In the early stage of the calculation, the antidune mode is dominant, whereas, the free bars also develop when the formative condition of bars is satisfied. The numerical results show the coexisting of free bars and antidunes, which are a common evident in flume experiments and field observations.

Modeling Primary Breakup: A Three-Dimensional Eulerian Level Set/Vortex Sheet Method for Two-Phase Interface Dynamics

NASA Technical Reports Server (NTRS)

Herrmann, M.

2003-01-01

This paper is divided into four parts. First, the level set/vortex sheet method for three-dimensional two-phase interface dynamics is presented. Second, the LSS model for the primary breakup of turbulent liquid jets and sheets is outlined and all terms requiring subgrid modeling are identified. Then, preliminary three-dimensional results of the level set/vortex sheet method are presented and discussed. Finally, conclusions are drawn and an outlook to future work is given.

Pore-scale simulation of liquid CO2 displacement of water using a two-phase lattice Boltzmann model

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

Liu, Haihu; Valocchi, Albert J.; Werth, Charles J.

A lattice Boltzmann color-fluid model, which was recently proposed by Liu et al. [H. Liu, A.J. Valocchi, and Q. Kang. Three-dimensional lattice Boltzmann model for immiscible two-phase flow simulations. Phys. Rev. E, 85:046309, 2012.] based on a concept of continuum surface force, is improved to simulate immiscible two-phase flows in porous media. The new improvements allow the model to account for different kinematic viscosities of both fluids and to model fluid-solid interactions. The capability and accuracy of this model is first validated by two benchmark tests: a layered two-phase flow with a viscosity ratio, and a dynamic capillary intrusion. Thismore » model is then used to simulate liquid CO2 (LCO2) displacing water in a dual-permeability pore network. The extent and behavior of LCO2 preferential flow (i.e., fingering) is found to depend on the capillary number (Ca), and three different displacement patterns observed in previous micromodel experiments are reproduced. The predicted variation of LCO2 saturation with Ca, as well as variation of specific interfacial length with LCO2 saturation, are both in good agreement with the experimental observations. To understand the effect of heterogeneity on pore-scale displacement, we also simulate LCO2 displacing water in a randomly heterogeneous pore network, which has the same size and porosity as the dual-permeability pore network. In comparison to the dual-permeability case, the transition from capillary fingering to viscous fingering occurs at a higher Ca, and LCO2 saturation is higher at low Ca but lower at high Ca. In either pore network, the LCO2-water specific interfacial length is found to obey a power-law dependence on LCO2 saturation.« less

Dynamics of a Tapped Granular Column

NASA Astrophysics Data System (ADS)

Rosato, Anthony; Blackmore, Denis; Zuo, Luo; Hao, Wu; Horntrop, David

2015-11-01

We consider the behavior of a column of spheres subjected to a time-dependent vertical taps. Of interest are various dynamical properties, such as the motion of its mass center, its response to taps of different intensities and forms, and the effect of system size and material properties. The interplay between diverse time and length scales are the key contributors to the column's evolving dynamics. Soft sphere discrete element simulations were conducted over a very wide parameter space to obtain a portrait of column behavior as embodied by the collective dynamics of the mass center motion. Results compared favorably with a derived reduced-order paradigm of the mass center motion (surprisingly analogous to that for a single bouncing ball on an oscillating plate) with respect to dynamical regimes and their transitions. A continuum model obtained from a system of Newtonian equations, as a locally averaged limit in the transport mode along trajectories is described, and a numerical solution protocol for a one-dimensional system is outlined. Typical trajectories and density evolution profiles are shown. We conclude with a discussion of our investigations to relate predictions of the continuum and reduced dynamical systems models with discrete simulations.

Development of three-dimensional hollow elastic model for cerebral aneurysm clipping simulation enabling rapid and low cost prototyping.

PubMed

Mashiko, Toshihiro; Otani, Keisuke; Kawano, Ryutaro; Konno, Takehiko; Kaneko, Naoki; Ito, Yumiko; Watanabe, Eiju

2015-03-01

We developed a method for fabricating a three-dimensional hollow and elastic aneurysm model useful for surgical simulation and surgical training. In this article, we explain the hollow elastic model prototyping method and report on the effects of applying it to presurgical simulation and surgical training. A three-dimensional printer using acrylonitrile-butadiene-styrene as a modeling material was used to produce a vessel model. The prototype was then coated with liquid silicone. After the silicone had hardened, the acrylonitrile-butadiene-styrene was melted with xylene and removed, leaving an outer layer as a hollow elastic model. Simulations using the hollow elastic model were performed in 12 patients. In all patients, the clipping proceeded as scheduled. The surgeon's postoperative assessment was favorable in all cases. This method enables easy fabrication at low cost. Simulation using the hollow elastic model is thought to be useful for understanding of three-dimensional aneurysm structure. Copyright © 2015 Elsevier Inc. All rights reserved.

One-dimensional continuum electronic structure with the density-matrix renormalization group and its implications for density-functional theory.

PubMed

Stoudenmire, E M; Wagner, Lucas O; White, Steven R; Burke, Kieron

2012-08-03

We extend the density matrix renormalization group to compute exact ground states of continuum many-electron systems in one dimension with long-range interactions. We find the exact ground state of a chain of 100 strongly correlated artificial hydrogen atoms. The method can be used to simulate 1D cold atom systems and to study density-functional theory in an exact setting. To illustrate, we find an interacting, extended system which is an insulator but whose Kohn-Sham system is metallic.

Research in Knowledge Representation for Natural Language Communication and Planning Assistance

DTIC Science & Technology

1987-10-01

elements of PFR Instants of time are represented as individuals where they form a continuum Let "seconds" map real numbers to instants where "seconds(n...34 denotes n seconds. Points in space form a 3-dimensional continuum. Changing relations are represented as functions on instants of time. Formulas and...occupies at time t. "occ.space(x)(t)" is defined iff x is a physical object, I is an instant of lime, and x exists at t Further, x must occupy a non

Lorentz symmetry violation in the fermion number anomaly with the chiral overlap operator

NASA Astrophysics Data System (ADS)

Makino, Hiroki; Morikawa, Okuto

2016-12-01

Recently, Grabowska and Kaplan proposed a four-dimensional lattice formulation of chiral gauge theories on the basis of a chiral overlap operator. We compute the classical continuum limit of the fermion number anomaly in this formulation. Unexpectedly, we find that the continuum limit contains a term which is not Lorentz invariant. The term is, however, proportional to the gauge anomaly coefficient, and thus the fermion number anomaly in this lattice formulation automatically restores the Lorentz-invariant form when and only when the anomaly cancellation condition is met.

Recent Advances in Immersive Visualization of Ocean Data: Virtual Reality Through the Web on Your Laptop Computer

NASA Astrophysics Data System (ADS)

Hermann, A. J.; Moore, C.; Soreide, N. N.

2002-12-01

Ocean circulation is irrefutably three dimensional, and powerful new measurement technologies and numerical models promise to expand our three-dimensional knowledge of the dynamics further each year. Yet, most ocean data and model output is still viewed using two-dimensional maps. Immersive visualization techniques allow the investigator to view their data as a three dimensional world of surfaces and vectors which evolves through time. The experience is not unlike holding a part of the ocean basin in one's hand, turning and examining it from different angles. While immersive, three dimensional visualization has been possible for at least a decade, the technology was until recently inaccessible (both physically and financially) for most researchers. It is not yet fully appreciated by practicing oceanographers how new, inexpensive computing hardware and software (e.g. graphics cards and controllers designed for the huge PC gaming market) can be employed for immersive, three dimensional, color visualization of their increasingly huge datasets and model output. In fact, the latest developments allow immersive visualization through web servers, giving scientists the ability to "fly through" three-dimensional data stored half a world away. Here we explore what additional insight is gained through immersive visualization, describe how scientists of very modest means can easily avail themselves of the latest technology, and demonstrate its implementation on a web server for Pacific Ocean model output.

Estimating habitat volume of living resources using three-dimensional circulation and biogeochemical models

NASA Astrophysics Data System (ADS)

Smith, Katharine A.; Schlag, Zachary; North, Elizabeth W.

2018-07-01

Coupled three-dimensional circulation and biogeochemical models predict changes in water properties that can be used to define fish habitat, including physiologically important parameters such as temperature, salinity, and dissolved oxygen. However, methods for calculating the volume of habitat defined by the intersection of multiple water properties are not well established for coupled three-dimensional models. The objectives of this research were to examine multiple methods for calculating habitat volume from three-dimensional model predictions, select the most robust approach, and provide an example application of the technique. Three methods were assessed: the "Step," "Ruled Surface", and "Pentahedron" methods, the latter of which was developed as part of this research. Results indicate that the analytical Pentahedron method is exact, computationally efficient, and preserves continuity in water properties between adjacent grid cells. As an example application, the Pentahedron method was implemented within the Habitat Volume Model (HabVol) using output from a circulation model with an Arakawa C-grid and physiological tolerances of juvenile striped bass (Morone saxatilis). This application demonstrates that the analytical Pentahedron method can be successfully applied to calculate habitat volume using output from coupled three-dimensional circulation and biogeochemical models, and it indicates that the Pentahedron method has wide application to aquatic and marine systems for which these models exist and physiological tolerances of organisms are known.

Optimal approximation of harmonic growth clusters by orthogonal polynomials

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

Teodorescu, Razvan

2008-01-01

Interface dynamics in two-dimensional systems with a maximal number of conservation laws gives an accurate theoreticaI model for many physical processes, from the hydrodynamics of immiscible, viscous flows (zero surface-tension limit of Hele-Shaw flows), to the granular dynamics of hard spheres, and even diffusion-limited aggregation. Although a complete solution for the continuum case exists, efficient approximations of the boundary evolution are very useful due to their practical applications. In this article, the approximation scheme based on orthogonal polynomials with a deformed Gaussian kernel is discussed, as well as relations to potential theory.

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

Pilgrim, C. D.; Callahan, J. R.; Colla, C. A.

Here, one-dimensional 27Al, 23Na Magic-Angle-Spinning (MAS) NMR and 27Al Multiple-Quantum Magic-Angle-Spinning NMR (MQMAS) measurements are reported for the δ-isomer of the Al 13 Keggin structure at high spinning speed and 14.1 T field. Values for the CQ and η parameters are on the same scale as those seen in other isomers of the Al 13 structure. Density functional theory (DFT) calculations are performed for comparison to the experimental fits using the B3PW91/6-31+G* and PBE0/6-31+G* levels of theory, with the Polarizable Continuum Model (PCM).

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

Kashkooli, Ali Ghorbani; Foreman, Evan; Farhad, Siamak

In this study, synchrotron X-ray computed tomography has been utilized using two different imaging modes, absorption and Zernike phase contrast, to reconstruct the real three-dimensional (3D) morphology of nanostructured Li 4Ti 5O 12 (LTO) electrodes. The morphology of the high atomic number active material has been obtained using the absorption contrast mode, whereas the percolated solid network composed of active material and carbon-doped polymer binder domain (CBD) has been obtained using the Zernike phase contrast mode. The 3D absorption contrast image revealed that some LTO nano-particles tend to agglomerate and form secondary micro-sized particles with varying degrees of sphericity. Themore » tortuosity of electrode’s pore and solid phases were found to have directional dependence, different from Bruggeman’s tortuosity commonly used in macro-homogeneous models. The electrode’s heterogeneous structure was investigated by developing a numerical model to simulate galvanostatic discharge process using the Zernike phase contrast mode. The inclusion of CBD in the Zernike phase contrast results in an integrated percolated network of active material and CBD that is highly suited for continuum modeling. As a result, the simulation results highlight the importance of using the real 3D geometry since the spatial distribution of physical and electrochemical properties have a strong non-uniformity due to microstructural heterogeneities.« less

Modeling elasto-viscoplasticity in a consistent phase field framework

DOE PAGES

Cheng, Tian -Le; Wen, You -Hai; Hawk, Jeffrey A.

2017-05-19

Existing continuum level phase field plasticity theories seek to solve plastic strain by minimizing the shear strain energy. However, rigorously speaking, for thermodynamic consistency it is required to minimize the total strain energy unless there is proof that hydrostatic strain energy is independent of plastic strain which is unfortunately absent. In this work, we extend the phase-field microelasticity theory of Khachaturyan et al. by minimizing the total elastic energy with constraint of incompressibility of plastic strain. We show that the flow rules derived from the Ginzburg-Landau type kinetic equation can be in line with Odqvist's law for viscoplasticity and Prandtl-Reussmore » theory. Free surfaces (external surfaces or internal cracks/voids) are treated in the model. Deformation caused by a misfitting spherical precipitate in an elasto-plastic matrix is studied by large-scale three-dimensional simulations in four different regimes in terms of the matrix: (a) elasto-perfectly-plastic, (b) elastoplastic with linear hardening, (c) elastoplastic with power-law hardening, and (d) elasto-perfectly-plastic with a free surface. The results are compared with analytical/numerical solutions of Lee et al. for (a-c) and analytical solution derived in this work for (d). Additionally, the J integral of a fixed crack is calculated in the phase-field model and discussed in the context of fracture mechanics.« less

Modeling elasto-viscoplasticity in a consistent phase field framework

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

Cheng, Tian -Le; Wen, You -Hai; Hawk, Jeffrey A.

Existing continuum level phase field plasticity theories seek to solve plastic strain by minimizing the shear strain energy. However, rigorously speaking, for thermodynamic consistency it is required to minimize the total strain energy unless there is proof that hydrostatic strain energy is independent of plastic strain which is unfortunately absent. In this work, we extend the phase-field microelasticity theory of Khachaturyan et al. by minimizing the total elastic energy with constraint of incompressibility of plastic strain. We show that the flow rules derived from the Ginzburg-Landau type kinetic equation can be in line with Odqvist's law for viscoplasticity and Prandtl-Reussmore » theory. Free surfaces (external surfaces or internal cracks/voids) are treated in the model. Deformation caused by a misfitting spherical precipitate in an elasto-plastic matrix is studied by large-scale three-dimensional simulations in four different regimes in terms of the matrix: (a) elasto-perfectly-plastic, (b) elastoplastic with linear hardening, (c) elastoplastic with power-law hardening, and (d) elasto-perfectly-plastic with a free surface. The results are compared with analytical/numerical solutions of Lee et al. for (a-c) and analytical solution derived in this work for (d). Additionally, the J integral of a fixed crack is calculated in the phase-field model and discussed in the context of fracture mechanics.« less

Solvation effects on chemical shifts by embedded cluster integral equation theory.

PubMed

Frach, Roland; Kast, Stefan M

2014-12-11

The accurate computational prediction of nuclear magnetic resonance (NMR) parameters like chemical shifts represents a challenge if the species studied is immersed in strongly polarizing environments such as water. Common approaches to treating a solvent in the form of, e.g., the polarizable continuum model (PCM) ignore strong directional interactions such as H-bonds to the solvent which can have substantial impact on magnetic shieldings. We here present a computational methodology that accounts for atomic-level solvent effects on NMR parameters by extending the embedded cluster reference interaction site model (EC-RISM) integral equation theory to the prediction of chemical shifts of N-methylacetamide (NMA) in aqueous solution. We examine the influence of various so-called closure approximations of the underlying three-dimensional RISM theory as well as the impact of basis set size and different treatment of electrostatic solute-solvent interactions. We find considerable and systematic improvement over reference PCM and gas phase calculations. A smaller basis set in combination with a simple point charge model already yields good performance which can be further improved by employing exact electrostatic quantum-mechanical solute-solvent interaction energies. A larger basis set benefits more significantly from exact over point charge electrostatics, which can be related to differences of the solvent's charge distribution.

Hydrology of Yucca Mountain, Nevada

USGS Publications Warehouse

Flint, A.L.; Flint, L.E.; Kwicklis, E.M.; Bodvarsson, G.S.; Fabryka-Martin, J. M.

2001-01-01

Yucca Mountain, located in southern Nevada in the Mojave Desert, is being considered as a geologic repository for high-level radioactive waste. Although the site is arid, previous studies indicate net infiltration rates of 5-10 mm yr-1 under current climate conditions. Unsaturated flow of water through the mountain generally is vertical and rapid through the fractures of the welded tuffs and slow through the matrix of the nonwelded tuffs. The vitric-zeolitic boundary of the nonwelded tuffs below the potential repository, where it exists, causes perching and substantial lateral flow that eventually flows through faults near the eastern edge of the potential repository and recharges the underlying groundwater system. Fast pathways are located where water flows relatively quickly through the unsaturated zone to the water table. For the bulk of the water a large part of the travel time from land surface to the potential repository horizon (~300 m below land surface) is through the interlayered, low fracture density, nonwelded tuff where flow is predominately through the matrix. The unsaturated zone at Yucca Mountain is being modeled using a three-dimensional, dual-continuum numerical model to predict the results of measurements and observations in new boreholes and excavations. The interaction between experimentalists and modelers is providing confidence in the conceptual model and the numerical model and is providing researchers with the ability to plan further testing and to evaluate the usefulness or necessity of further data collection.

Development of a resource model for infection prevention and control programs in acute, long term, and home care settings: conference proceedings of the Infection Prevention and Control Alliance.

PubMed

Morrison, Judith

2004-02-01

There is mounting concern about the impact of health care restructuring on the provision of infection prevention services across the health care continuum. In response to this, Health Canada hosted two meetings of Canadian infection control experts to develop a model upon which the resources required to support an effective, integrated infection prevention and control program across the health care continuum could be based. The final models project the IPCP needs as three full time equivalent infection control professionals/500 beds in acute care hospitals and one full time equivalent infection control professional/150-250 beds in long term care facilities. Non human resource requirements are also described for acute, long term, community, and home care settings.

A THREE-DIMENSIONAL MODEL ASSESSMENT OF THE GLOBAL DISTRIBUTION OF HEXACHLOROBENZENE

EPA Science Inventory

The distributions of persistent organic pollutants (POPs) in the global environment have been studied typically with box/fugacity models with simplified treatments of atmospheric transport processes1. Such models are incapable of simulating the complex three-dimensional mechanis...

Gravitational lensing by a smoothly variable three-dimensional mass distribution

NASA Technical Reports Server (NTRS)

Lee, Man Hoi; Paczynski, Bohdan

1990-01-01

A smooth three-dimensional mass distribution is approximated by a model with multiple thin screens, with surface mass density varying smoothly on each screen. It is found that 16 screens are sufficient for a good approximation of the three-dimensional distribution of matter. It is also found that in this multiscreen model the distribution of amplifications of single images is dominated by the convergence due to matter within the beam. The shear caused by matter outside the beam has no significant effect. This finding considerably simplifies the modeling of lensing by a smooth three-dimensional mass distribution by effectively reducing the problem to one dimension, as it is sufficient to know the mass distribution along a straight light ray.

Suitability of a three-dimensional model to measure empathy and its relationship with social and normative adjustment in Spanish adolescents: a cross-sectional study.

PubMed

Herrera-López, Mauricio; Gómez-Ortiz, Olga; Ortega-Ruiz, Rosario; Jolliffe, Darrick; Romera, Eva M

2017-09-25

(1) To examine the psychometric properties of the Basic Empathy Scale (BES) with Spanish adolescents, comparing a two and a three-dimensional structure;(2) To analyse the relationship between the three-dimensional empathy and social and normative adjustment in school. Transversal and ex post facto retrospective study. Confirmatory factorial analysis, multifactorial invariance analysis and structural equations models were used. 747 students (51.3% girls) from Cordoba, Spain, aged 12-17 years (M=13.8; SD=1.21). The original two-dimensional structure was confirmed (cognitive empathy, affective empathy), but a three-dimensional structure showed better psychometric properties, highlighting the good fit found in confirmatory factorial analysis and adequate internal consistent valued, measured with Cronbach's alpha and McDonald's omega. Composite reliability and average variance extracted showed better indices for a three-factor model. The research also showed evidence of measurement invariance across gender. All the factors of the final three-dimensional BES model were direct and significantly associated with social and normative adjustment, being most strongly related to cognitive empathy. This research supports the advances in neuroscience, developmental psychology and psychopathology through a three-dimensional version of the BES, which represents an improvement in the original two-factorial model. The organisation of empathy in three factors benefits the understanding of social and normative adjustment in adolescents, in which emotional disengagement favours adjusted peer relationships. Psychoeducational interventions aimed at improving the quality of social life in schools should target these components of empathy. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Supporting Reform-Oriented Secondary Science Teaching Through the Use of a Framework to Analyze Construction of Scientific Explanations

NASA Astrophysics Data System (ADS)

Richmond, Gail; Parker, Joyce M.; Kaldaras, Leonora

2016-08-01

The Next-Generation Science Standards (NGSS) call for a different approach to learning science. They promote three-dimensional (3D) learning that blends disciplinary core ideas, crosscutting concepts and scientific practices. In this study, we examined explanations constructed by secondary science teacher candidates (TCs) as a scientific practice outlined in the NGSS necessary for supporting students' learning of science in this 3D way. We examined TCs' ability to give explanations that include explicit statements of underlying reasons for natural phenomena, as opposed to simply describing patterns or laws. In their methods courses, TCs were taught to organize explanations into a what/how/why framework, where what refers to what happens in specific cases (data or observations); how refers to how things usually happen and is equivalent to patterns or laws; and why refers to causal explanations or models. We examined TCs' ability to do this spontaneously and in a resource-rich environment as a first step in gauging their preparedness for NGSS-aligned teaching. We found that (1) the ability of TCs to articulate complete and accurate causal scientific explanations for phenomena exists along a continuum; (2) TCs in our sample whose explanations fell on the upper end of this continuum were more likely to provide complete and accurate explanations even in the absence of support from explicit standards; and (3) teacher candidate's ability to construct complete and accurate explanations did not correlate with cross-course performance or academic major. The implications of these findings for the preparation of teachers for NGSS-based science instruction are discussed.

Formation of the UV Spectrum of Molecular Hydrogen in the Sun

NASA Astrophysics Data System (ADS)

Jaeggli, S. A.; Judge, P. G.; Daw, A. N.

2018-03-01

Ultraviolet (UV) lines of molecular hydrogen have been observed in solar spectra for almost four decades, but the behavior of the molecular spectrum and its implications for solar atmospheric structure are not fully understood. Data from the High-Resolution Telescope Spectrometer (HRTS) instrument revealed that H2 emission forms in particular regions, selectively excited by a bright UV transition region and chromospheric lines. We test the conditions under which H2 emission can originate by studying non-LTE models, sampling a broad range of temperature stratifications and radiation conditions. Stratification plays the dominant role in determining the population densities of H2, which forms in greatest abundance near the continuum photosphere. However, opacity due to the photoionization of Si and other neutrals determines the depth to which UV radiation can penetrate to excite the H2. Thus the majority of H2 emission forms in a narrow region, at about 650 km in standard one-dimensional (1D) models of the quiet Sun, near the τ = 1 opacity surface for the exciting UV radiation, generally coming from above. When irradiated from above using observed intensities of bright UV emission lines, detailed non-LTE calculations show that the spectrum of H2 seen in the quiet-Sun Solar Ultraviolet Measurement of Emitted Radiation atlas spectrum and HRTS light-bridge spectrum can be satisfactorily reproduced in 1D stratified atmospheres, without including three-dimensional or time-dependent thermal structures. A detailed comparison to observations from 1205 to 1550 Å is presented, and the success of this 1D approach to modeling solar UV H2 emission is illustrated by the identification of previously unidentified lines and upper levels in HRTS spectra.

Three-dimensional head anthropometric analysis

NASA Astrophysics Data System (ADS)

Enciso, Reyes; Shaw, Alex M.; Neumann, Ulrich; Mah, James

2003-05-01

Currently, two-dimensional photographs are most commonly used to facilitate visualization, assessment and treatment of facial abnormalities in craniofacial care but are subject to errors because of perspective, projection, lack metric and 3-dimensional information. One can find in the literature a variety of methods to generate 3-dimensional facial images such as laser scans, stereo-photogrammetry, infrared imaging and even CT however each of these methods contain inherent limitations and as such no systems are in common clinical use. In this paper we will focus on development of indirect 3-dimensional landmark location and measurement of facial soft-tissue with light-based techniques. In this paper we will statistically evaluate and validate a current three-dimensional image-based face modeling technique using a plaster head model. We will also develop computer graphics tools for indirect anthropometric measurements in a three-dimensional head model (or polygonal mesh) including linear distances currently used in anthropometry. The measurements will be tested against a validated 3-dimensional digitizer (MicroScribe 3DX).

Three-dimensional effects on pure tone fan noise due to inflow distortion. [rotor blade noise prediction

NASA Technical Reports Server (NTRS)

Kobayashi, H.

1978-01-01

Two dimensional, quasi three dimensional and three dimensional theories for the prediction of pure tone fan noise due to the interaction of inflow distortion with a subsonic annular blade row were studied with the aid of an unsteady three dimensional lifting surface theory. The effects of compact and noncompact source distributions on pure tone fan noise in an annular cascade were investigated. Numerical results show that the strip theory and quasi three-dimensional theory are reasonably adequate for fan noise prediction. The quasi three-dimensional method is more accurate for acoustic power and model structure prediction with an acoustic power estimation error of about plus or minus 2db.

Pore-scale and continuum simulations of solute transport micromodel benchmark experiments

DOE PAGES

Oostrom, M.; Mehmani, Y.; Romero-Gomez, P.; ...

2014-06-18

Four sets of nonreactive solute transport experiments were conducted with micromodels. Three experiments with one variable, i.e., flow velocity, grain diameter, pore-aspect ratio, and flow-focusing heterogeneity were in each set. The data sets were offered to pore-scale modeling groups to test their numerical simulators. Each set consisted of two learning experiments, for which our results were made available, and one challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the transverse dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing,more » and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice Boltzmann (LB) approach, and one used a computational fluid dynamics (CFD) technique. Furthermore, we used the learning experiments, by the PN models, to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used the learning experiments to appropriately discretize the spatial grid representations. For the continuum modeling, the required dispersivity input values were estimated based on published nonlinear relations between transverse dispersion coefficients and Peclet number. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values, resulting in reduced dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models, which account for the micromodel geometry and underlying flow and transport physics, needed up to several days on supercomputers to resolve the more complex problems.« less

Homogenization of Periodic Masonry Using Self-Consistent Scheme and Finite Element Method

NASA Astrophysics Data System (ADS)

Kumar, Nitin; Lambadi, Harish; Pandey, Manoj; Rajagopal, Amirtham

2016-01-01

Masonry is a heterogeneous anisotropic continuum, made up of the brick and mortar arranged in a periodic manner. Obtaining the effective elastic stiffness of the masonry structures has been a challenging task. In this study, the homogenization theory for periodic media is implemented in a very generic manner to derive the anisotropic global behavior of the masonry, through rigorous application of the homogenization theory in one step and through a full three-dimensional behavior. We have considered the periodic Eshelby self-consistent method and the finite element method. Two representative unit cells that represent the microstructure of the masonry wall exactly are considered for calibration and numerical application of the theory.

Three-dimensional aspects of radiative transfer in remote sensing of precipitation: Application to the 1986 COHMEX storm

NASA Technical Reports Server (NTRS)

Haferman, J. L.; Krajewski, W. F.; Smith, T. F.

1994-01-01

Several multifrequency techniques for passive microwave estimation of precipitation based on the absorption and scattering properties of hydrometers have been proposed in the literature. In the present study, plane-parallel limitations are overcome by using a model based on the discrete-ordinates method to solve the radiative transfer equation in three-dimensional rectangular domains. This effectively accounts for the complexity and variety of radiation problems encountered in the atmosphere. This investigation presents result for plane-parallel and three-dimensional radiative transfer for a precipitating system, discusses differences between these results, and suggests possible explanations for these differences. Microphysical properties were obtained from the Colorado State University Regional Atmospehric Modeling System and represent a hailstorm observed during the 1986 Cooperative Huntsville Meteorological Experiment. These properties are used as input to a three-dimensional radiative transfer model in order to simulate satellite observation of the storm. The model output consists of upwelling brightness temperatures at several of the frequencies on the Special Sensor Microwave/Imager. The radiative transfer model accounts for scattering and emission of atmospheric gases and hydrometers in liquid and ice phases. Brightness temperatures obtained from the three-dimensional model of this investigation indicate that horizontal inhomogeneities give rise to brightness temperature fields that can be quite different from fields obtained using plane-parallel radiative transfer theory. These differences are examined for various resolutions of the satellite sensor field of view. In adddition, the issue of boundary conditions for three-dimensional atmospheric radiative transfer is addressed.

[Three-dimensional finite element study on the change of glossopharyngeum in patient with obstructive sleep apnea hypopnea syndrome during titrated mandible advancement].

PubMed

Yang, Suixing; Feng, Jing; Zhang, Zuo; Qu, Aili; Gong, Miao; Tang, Jie; Fan, Junheng; Li, Songqing; Zhao, Yanling

2013-04-01

To construct a three-dimensional finite element model of the upper airway and adjacent structure of an obstructive sleep apnea hypopnea syndrome (OSAHS) patient for biomechanical analysis. And to study the influence of glossopharyngeum of an OSAHS patient with three-dimensional finite element model during titrated mandible advancement. DICOM format image information of an OSAHS patient's upper airway was obtained by thin-section CT scanning and digital image processing were utilized to construct a three-dimensional finite element model by Mimics 10.0, Imageware 10.0 and Ansys software. The changes and the law of glossopharyngeum were observed by biomechanics and morphology after loading with titrated mandible advancement. A three-dimensional finite element model of the adjacent upper airway structure of OSAHS was established successfully. After loading, the transverse diameter of epiglottis tip of glossopharyngeum increased significantly, although the sagittal diameter decreased correspondingly. The principal stress was mainly distributed in anterior wall of the upper airway. The location of principal stress concentration did not change significantly with the increasing of distance. The stress of glossopharyngeum increased during titrated mandible advancement. A more precise three-dimensional finite model of upper airway and adjacent structure of an OSAHS patient is established and improved efficiency by Mimics, Imageware and Ansys software. The glossopharyngeum of finite element model of OSAHS is analyzed by titrated mandible advancement and can effectively show the relationship between mandible advancement and the glossopharyngeum.

Lifetime measurements of 17C excited states and three-body and continuum effects

DOE PAGES

Smalley, D.; Iwasaki, H.; Navratil, P.; ...

2015-12-18

We studied transition rates for the lowest 1/2 + and 5/2 + excited states of 17C through lifetime measurements with the GRETINA array using the recoil-distance method. The present measurements provide a model-independent determination of transition strengths giving the values of B(M1;1/2 + → 3/2 + g.s.) = 1.04 +0.03 –0.12 × 1 0–2μ 2 N and B(M1;5/2 + → 3/2 + g.s.) = 7.12 +1.27 –0.96 × 10 –2μ 2 N. The quenched M1 transition strength for the 1/2 + → 3/2 + g.s. transition, with respect to the 5/2 + → 3/ 2+ g.s. transition, has been confirmedmore » with greater precision. Furthermore, the current data are compared to importance-truncated no-core shell model calculations addressing effects due to continuum and three-body forces.« less

Modeling smoke plume patterns in drainage flows

Treesearch

M.A. Fosberg

1985-01-01

A three-dimensional diagnostic wind model for use in complex terrain has been combined with a three-dimensional trajectory and puff air quality model. The wind model utilizes a terrain following coordinate system and conserves both mass and momentum. The wind model provides the winds required by the predictive trajectory and puff dispersion model. Both the wind model...

An Integrated Magnetic Circuit Model and Finite Element Model Approach to Magnetic Bearing Design

NASA Technical Reports Server (NTRS)

Provenza, Andrew J.; Kenny, Andrew; Palazzolo, Alan B.

2003-01-01

A code for designing magnetic bearings is described. The code generates curves from magnetic circuit equations relating important bearing performance parameters. Bearing parameters selected from the curves by a designer to meet the requirements of a particular application are input directly by the code into a three-dimensional finite element analysis preprocessor. This means that a three-dimensional computer model of the bearing being developed is immediately available for viewing. The finite element model solution can be used to show areas of magnetic saturation and make more accurate predictions of the bearing load capacity, current stiffness, position stiffness, and inductance than the magnetic circuit equations did at the start of the design process. In summary, the code combines one-dimensional and three-dimensional modeling methods for designing magnetic bearings.

Columnar organization of orientation domains in V1

NASA Astrophysics Data System (ADS)

Liedtke, Joscha; Wolf, Fred

In the primary visual cortex (V1) of primates and carnivores, the functional architecture of basic stimulus selectivities appears similar across cortical layers (Hubel & Wiesel, 1962) justifying the use of two-dimensional cortical models and disregarding organization in the third dimension. Here we show theoretically that already small deviations from an exact columnar organization lead to non-trivial three-dimensional functional structures. We extend two-dimensional random field models (Schnabel et al., 2007) to a three-dimensional cortex by keeping a typical scale in each layer and introducing a correlation length in the third, columnar dimension. We examine in detail the three-dimensional functional architecture for different cortical geometries with different columnar correlation lengths. We find that (i) topological defect lines are generally curved and (ii) for large cortical curvatures closed loops and reconnecting topological defect lines appear. This theory extends the class of random field models by introducing a columnar dimension and provides a systematic statistical assessment of the three-dimensional functional architecture of V1 (see also (Tanaka et al., 2011)).

NASA Workshop on Distributed Parameter Modeling and Control of Flexible Aerospace Systems

NASA Technical Reports Server (NTRS)

Marks, Virginia B. (Compiler); Keckler, Claude R. (Compiler)

1994-01-01

Although significant advances have been made in modeling and controlling flexible systems, there remains a need for improvements in model accuracy and in control performance. The finite element models of flexible systems are unduly complex and are almost intractable to optimum parameter estimation for refinement using experimental data. Distributed parameter or continuum modeling offers some advantages and some challenges in both modeling and control. Continuum models often result in a significantly reduced number of model parameters, thereby enabling optimum parameter estimation. The dynamic equations of motion of continuum models provide the advantage of allowing the embedding of the control system dynamics, thus forming a complete set of system dynamics. There is also increased insight provided by the continuum model approach.

Aeroacoustic theory for noncompact wing-gust interaction

NASA Technical Reports Server (NTRS)

Martinez, R.; Widnall, S. E.

1981-01-01

Three aeroacoustic models for noncompact wing-gust interaction were developed for subsonic flow. The first is that for a two dimensional (infinite span) wing passing through an oblique gust. The unsteady pressure field was obtained by the Wiener-Hopf technique; the airfoil loading and the associated acoustic field were calculated, respectively, by allowing the field point down on the airfoil surface, or by letting it go to infinity. The second model is a simple spanwise superposition of two dimensional solutions to account for three dimensional acoustic effects of wing rotation (for a helicopter blade, or some other rotating planform) and of finiteness of wing span. A three dimensional theory for a single gust was applied to calculate the acoustic signature in closed form due to blade vortex interaction in helicopters. The third model is that of a quarter infinite plate with side edge through a gust at high subsonic speed. An approximate solution for the three dimensional loading and the associated three dimensional acoustic field in closed form was obtained. The results reflected the acoustic effect of satisfying the correct loading condition at the side edge.

Multi-Level Factors Affecting Entry into and Engagement in the HIV Continuum of Care in Iringa, Tanzania

PubMed Central

Layer, Erica H.; Kennedy, Caitlin E.; Beckham, Sarah W.; Mbwambo, Jessie K.; Likindikoki, Samuel; Davis, Wendy W.; Kerrigan, Deanna L.; Brahmbhatt, Heena

2014-01-01

Progression through the HIV continuum of care, from HIV testing to lifelong retention in antiretroviral therapy (ART) care and treatment programs, is critical to the success of HIV treatment and prevention efforts. However, significant losses occur at each stage of the continuum and little is known about contextual factors contributing to disengagement at these stages. This study sought to explore multi-level barriers and facilitators influencing entry into and engagement in the continuum of care in Iringa, Tanzania. We used a mixed-methods study design including facility-based assessments and interviews with providers and clients of HIV testing and treatment services; interviews, focus group discussions and observations with community-based providers and clients of HIV care and support services; and longitudinal interviews with men and women living with HIV to understand their trajectories in care. Data were analyzed using narrative analysis to identify key themes across levels and stages in the continuum of care. Participants identified multiple compounding barriers to progression through the continuum of care at the individual, facility, community and structural levels. Key barriers included the reluctance to engage in HIV services while healthy, rigid clinic policies, disrespectful treatment from service providers, stock-outs of supplies, stigma and discrimination, alternate healing systems, distance to health facilities and poverty. Social support from family, friends or support groups, home-based care providers, income generating opportunities and community mobilization activities facilitated engagement throughout the HIV continuum. Findings highlight the complex, multi-dimensional dynamics that individuals experience throughout the continuum of care and underscore the importance of a holistic and multi-level perspective to understand this process. Addressing barriers at each level is important to promoting increased engagement throughout the continuum. PMID:25119665

3D surface pressure measurement with single light-field camera and pressure-sensitive paint

NASA Astrophysics Data System (ADS)

Shi, Shengxian; Xu, Shengming; Zhao, Zhou; Niu, Xiaofu; Quinn, Mark Kenneth

2018-05-01

A novel technique that simultaneously measures three-dimensional model geometry, as well as surface pressure distribution, with single camera is demonstrated in this study. The technique takes the advantage of light-field photography which can capture three-dimensional information with single light-field camera, and combines it with the intensity-based pressure-sensitive paint method. The proposed single camera light-field three-dimensional pressure measurement technique (LF-3DPSP) utilises a similar hardware setup to the traditional two-dimensional pressure measurement technique, with exception that the wind-on, wind-off and model geometry images are captured via an in-house-constructed light-field camera. The proposed LF-3DPSP technique was validated with a Mach 5 flared cone model test. Results show that the technique is capable of measuring three-dimensional geometry with high accuracy for relatively large curvature models, and the pressure results compare well with the Schlieren tests, analytical calculations, and numerical simulations.

Analysis of water control in an underground mine under strong karst media influence (Vazante mine, Brazil)

NASA Astrophysics Data System (ADS)

Ninanya, Hugo; Guiguer, Nilson; Vargas, Eurípedes A.; Nascimento, Gustavo; Araujo, Edmar; Cazarin, Caroline L.

2018-05-01

This work presents analysis of groundwater flow conditions and groundwater control measures for Vazante underground mine located in the state of Minas Gerais, Brazil. According to field observations, groundwater flow processes in this mine are highly influenced by the presence of karst features located in the near-surface terrain next to Santa Catarina River. The karstic features, such as caves, sinkholes, dolines and conduits, have direct contact with the aquifer and tend to increase water flow into the mine. These effects are more acute in areas under the influence of groundwater-level drawdown by pumping. Numerical analyses of this condition were carried out using the computer program FEFLOW. This program represents karstic features as one-dimensional discrete flow conduits inside a three-dimensional finite element structure representing the geologic medium following a combined discrete-continuum approach for representing the karst system. These features create preferential flow paths between the river and mine; their incorporation into the model is able to more realistically represent the hydrogeological environment of the mine surroundings. In order to mitigate the water-inflow problems, impermeabilization of the river through construction of a reinforced concrete channel was incorporated in the developed hydrogeological model. Different scenarios for channelization lengths for the most critical zones along the river were studied. Obtained results were able to compare effectiveness of different river channelization scenarios. It was also possible to determine whether the use of these impermeabilization measures would be able to reduce, in large part, the elevated costs of pumping inside the mine.

Kinematics, structural mechanics, and design of origami structures with smooth folds

NASA Astrophysics Data System (ADS)

Peraza Hernandez, Edwin Alexander

Origami provides novel approaches to the fabrication, assembly, and functionality of engineering structures in various fields such as aerospace, robotics, etc. With the increase in complexity of the geometry and materials for origami structures that provide engineering utility, computational models and design methods for such structures have become essential. Currently available models and design methods for origami structures are generally limited to the idealization of the folds as creases of zeroth-order geometric continuity. Such an idealization is not proper for origami structures having non-negligible thickness or maximum curvature at the folds restricted by material limitations. Thus, for general structures, creased folds of merely zeroth-order geometric continuity are not appropriate representations of structural response and a new approach is needed. The first contribution of this dissertation is a model for the kinematics of origami structures having realistic folds of non-zero surface area and exhibiting higher-order geometric continuity, here termed smooth folds. The geometry of the smooth folds and the constraints on their associated kinematic variables are presented. A numerical implementation of the model allowing for kinematic simulation of structures having arbitrary fold patterns is also described. Examples illustrating the capability of the model to capture realistic structural folding response are provided. Subsequently, a method for solving the origami design problem of determining the geometry of a single planar sheet and its pattern of smooth folds that morphs into a given three-dimensional goal shape, discretized as a polygonal mesh, is presented. The design parameterization of the planar sheet and the constraints that allow for a valid pattern of smooth folds and approximation of the goal shape in a known folded configuration are presented. Various testing examples considering goal shapes of diverse geometries are provided. Afterwards, a model for the structural mechanics of origami continuum bodies with smooth folds is presented. Such a model entails the integration of the presented kinematic model and existing plate theories in order to obtain a structural representation for folds having non-zero thickness and comprised of arbitrary materials. The model is validated against finite element analysis. The last contribution addresses the design and analysis of active material-based self-folding structures that morph via simultaneous folding towards a given three-dimensional goal shape starting from a planar configuration. Implementation examples including shape memory alloy (SMA)-based self-folding structures are provided.

Three-dimensional discrete-time Lotka-Volterra models with an application to industrial clusters

NASA Astrophysics Data System (ADS)

Bischi, G. I.; Tramontana, F.

2010-10-01

We consider a three-dimensional discrete dynamical system that describes an application to economics of a generalization of the Lotka-Volterra prey-predator model. The dynamic model proposed is used to describe the interactions among industrial clusters (or districts), following a suggestion given by [23]. After studying some local and global properties and bifurcations in bidimensional Lotka-Volterra maps, by numerical explorations we show how some of them can be extended to their three-dimensional counterparts, even if their analytic and geometric characterization becomes much more difficult and challenging. We also show a global bifurcation of the three-dimensional system that has no two-dimensional analogue. Besides the particular economic application considered, the study of the discrete version of Lotka-Volterra dynamical systems turns out to be a quite rich and interesting topic by itself, i.e. from a purely mathematical point of view.

Entanglement Area Law in Disordered Free Fermion Anderson Model in One, Two, and Three Dimensions

DOE PAGES

Pouranvari, Mohammad; Zhang, Yuhui; Yang, Kun

2015-01-01

We calculate numerically the entanglement entropy of free fermion ground states in one-, two-, and three-dimensional Anderson models and find that it obeys the area law as long as the linear size of the subsystem is sufficiently larger than the mean free path. This result holds in the metallic phase of the three-dimensional Anderson model, where the mean free path is finite although the localization length is infinite. Relation between the present results and earlier ones on area law violation in special one-dimensional models that support metallic phases is discussed.

Entanglement Area Law in Disordered Free Fermion Anderson Model in One, Two, and Three Dimensions

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

Pouranvari, Mohammad; Zhang, Yuhui; Yang, Kun

We calculate numerically the entanglement entropy of free fermion ground states in one-, two-, and three-dimensional Anderson models and find that it obeys the area law as long as the linear size of the subsystem is sufficiently larger than the mean free path. This result holds in the metallic phase of the three-dimensional Anderson model, where the mean free path is finite although the localization length is infinite. Relation between the present results and earlier ones on area law violation in special one-dimensional models that support metallic phases is discussed.

The significance of turbulent flow representation in single-continuum models

USGS Publications Warehouse

Reimann, T.; Rehrl, C.; Shoemaker, W.B.; Geyer, T.; Birk, S.

2011-01-01

Karst aquifers exhibit highly conductive features caused from rock dissolution processes. Flow within these structures can become turbulent and therefore can be expressed by nonlinear gradient functions. One way to account for these effects is by coupling a continuum model with a conduit network. Alternatively, turbulent flow can be considered by adapting the hydraulic conductivity within the continuum model. Consequently, the significance of turbulent flow on the dynamic behavior of karst springs is investigated by an enhanced single-continuum model that results in conduit-type flow in continuum cells (CTFC). The single-continuum approach CTFC represents laminar and turbulent flow as well as more complex hybrid models that require additional programming and numerical efforts. A parameter study is conducted to investigate the effects of turbulent flow on the response of karst springs to recharge events using the new CTFC approach, existing hybrid models, and MODFLOW-2005. Results reflect the importance of representing (1) turbulent flow in karst conduits and (2) the exchange between conduits and continuum cells. More specifically, laminar models overestimate maximum spring discharge and underestimate hydraulic gradients within the conduit. It follows that aquifer properties inferred from spring hydrographs are potentially impaired by ignoring flow effects due to turbulence. The exchange factor used for hybrid models is necessary to account for the scale dependency between hydraulic properties of the matrix continuum and conduits. This functionality, which is not included in CTFC, can be mimicked by appropriate use of the Horizontal Flow Barrier package for MODFLOW. Copyright 2011 by the American Geophysical Union.

A new definition for an old entity: improved definition of mitral valve prolapse using three-dimensional echocardiography and color-coded parametric models.

PubMed

Addetia, Karima; Mor-Avi, Victor; Weinert, Lynn; Salgo, Ivan S; Lang, Roberto M

2014-01-01

Differentiating between mitral valve (MV) prolapse (MVP) and MV billowing (MVB) on two-dimensional echocardiography is challenging. The aim of this study was to test the hypothesis that color-coded models of maximal leaflet displacement from the annular plane into the atrium derived from three-dimensional transesophageal echocardiography would allow discrimination between these lesions. Three-dimensional transesophageal echocardiographic imaging of the MV was performed in 50 patients with (n = 38) and without (n = 12) degenerative MV disease. Definitive diagnosis of MVP versus MVB was made using inspection of dynamic three-dimensional renderings and multiple two-dimensional cut planes extracted from three-dimensional data sets. This was used as a reference standard to test an alternative approach, wherein the color-coded parametric models were inspected for integrity of the coaptation line and location of the maximally displaced portion of the leaflet. Diagnostic interpretations of these models by two independent readers were compared with the reference standard. In all cases of MVP, the color-coded models depicted loss of integrity of the coaptation line and maximal leaflet displacement extending to the coaptation line. MVB was depicted by preserved leaflet apposition with maximal displacement away from the coaptation line. Interpretation of the 50 color-coded models by novice readers took 5 to 10 min and resulted in good agreement with the reference technique (κ = 0.81 and κ = 0.73 for the two readers). Three-dimensional color-coded models provide a static display of MV leaflet displacement, allowing differentiation between MVP and MVB, without the need to inspect multiple planes and while taking into account the saddle shape of the mitral annulus. Copyright © 2014 American Society of Echocardiography. Published by Mosby, Inc. All rights reserved.

Cross-stream diffusion under pressure-driven flow in microchannels with arbitrary aspect ratios: a phase diagram study using a three-dimensional analytical model

PubMed Central

Song, Hongjun; Wang, Yi; Pant, Kapil

2011-01-01

This article presents a three-dimensional analytical model to investigate cross-stream diffusion transport in rectangular microchannels with arbitrary aspect ratios under pressure-driven flow. The Fourier series solution to the three-dimensional convection–diffusion equation is obtained using a double integral transformation method and associated eigensystem calculation. A phase diagram derived from the dimensional analysis is presented to thoroughly interrogate the characteristics in various transport regimes and examine the validity of the model. The analytical model is verified against both experimental and numerical models in terms of the concentration profile, diffusion scaling law, and mixing efficiency with excellent agreement (with <0.5% relative error). Quantitative comparison against other prior analytical models in extensive parameter space is also performed, which demonstrates that the present model accommodates much broader transport regimes with significantly enhanced applicability. PMID:22247719

Cross-stream diffusion under pressure-driven flow in microchannels with arbitrary aspect ratios: a phase diagram study using a three-dimensional analytical model.

PubMed

Song, Hongjun; Wang, Yi; Pant, Kapil

2012-01-01

This article presents a three-dimensional analytical model to investigate cross-stream diffusion transport in rectangular microchannels with arbitrary aspect ratios under pressure-driven flow. The Fourier series solution to the three-dimensional convection-diffusion equation is obtained using a double integral transformation method and associated eigensystem calculation. A phase diagram derived from the dimensional analysis is presented to thoroughly interrogate the characteristics in various transport regimes and examine the validity of the model. The analytical model is verified against both experimental and numerical models in terms of the concentration profile, diffusion scaling law, and mixing efficiency with excellent agreement (with <0.5% relative error). Quantitative comparison against other prior analytical models in extensive parameter space is also performed, which demonstrates that the present model accommodates much broader transport regimes with significantly enhanced applicability.

Exact solution of three-dimensional transport problems using one-dimensional models. [in semiconductor devices

NASA Technical Reports Server (NTRS)

Misiakos, K.; Lindholm, F. A.

1986-01-01

Several parameters of certain three-dimensional semiconductor devices including diodes, transistors, and solar cells can be determined without solving the actual boundary-value problem. The recombination current, transit time, and open-circuit voltage of planar diodes are emphasized here. The resulting analytical expressions enable determination of the surface recombination velocity of shallow planar diodes. The method involves introducing corresponding one-dimensional models having the same values of these parameters.

2-D to 3-D global/local finite element analysis of cross-ply composite laminates

NASA Technical Reports Server (NTRS)

Thompson, D. Muheim; Griffin, O. Hayden, Jr.

1990-01-01

An example of two-dimensional to three-dimensional global/local finite element analysis of a laminated composite plate with a hole is presented. The 'zoom' technique of global/local analysis is used, where displacements of the global/local interface from the two-dimensional global model are applied to the edges of the three-dimensional local model. Three different hole diameters, one, three, and six inches, are considered in order to compare the effect of hole size on the three-dimensional stress state around the hole. In addition, three different stacking sequences are analyzed for the six inch hole case in order to study the effect of stacking sequence. The existence of a 'critical' hole size, where the interlaminar stresses are maximum, is indicated. Dispersion of plies at the same angle, as opposed to clustering, is found to reduce the magnitude of some interlaminar stress components and increase others.

Structure models: From shell model to ab initio methods. A brief introduction to microscopic theories for exotic nuclei

NASA Astrophysics Data System (ADS)

Bacca, Sonia

2016-04-01

A brief review of models to describe nuclear structure and reactions properties is presented, starting from the historical shell model picture and encompassing modern ab initio approaches. A selection of recent theoretical results on observables for exotic light and medium-mass nuclei is shown. Emphasis is given to the comparison with experiment and to what can be learned about three-body forces and continuum properties.

Direct 3-D morphological measurements of silicone rubber impression using micro-focus X-ray CT.

PubMed

Kamegawa, Masayuki; Nakamura, Masayuki; Fukui, Yu; Tsutsumi, Sadami; Hojo, Masaki

2010-01-01

Three-dimensional computer models of dental arches play a significant role in prosthetic dentistry. The microfocus X-ray CT scanner has the advantage of capturing precise 3D shapes of deep fossa, and we propose a new method of measuring the three-dimensional morphology of a dental impression directly, which will eliminate the conversion process to dental casts. Measurement precision and accuracy were evaluated using a standard gage comprised of steel balls which simulate the dental arch. Measurement accuracy, standard deviation of distance distribution of superimposed models, was determined as +/-0.050 mm in comparison with a CAD model. Impressions and casts of an actual dental arch were scanned by microfocus X-ray CT and three-dimensional models were compared. The impression model had finer morphology, especially around the cervical margins of teeth. Within the limitations of the current study, direct three-dimensional impression modeling was successfully demonstrated using microfocus X-ray CT.

Progress Report on SAM Reduced-Order Model Development for Thermal Stratification and Mixing during Reactor Transients

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

Hu, R.

This report documents the initial progress on the reduced-order flow model developments in SAM for thermal stratification and mixing modeling. Two different modeling approaches are pursued. The first one is based on one-dimensional fluid equations with additional terms accounting for the thermal mixing from both flow circulations and turbulent mixing. The second approach is based on three-dimensional coarse-grid CFD approach, in which the full three-dimensional fluid conservation equations are modeled with closure models to account for the effects of turbulence.

Distinct Element Modeling of the Large Block Test

NASA Astrophysics Data System (ADS)

Carlson, S. R.; Blair, S. C.; Wagoner, J. L.

2001-12-01

The Yucca Mountain Site Characterization Project is investigating Yucca Mountain, Nevada as a potential nuclear waste repository site. As part of this effort, the Large Block, a 3m x 3m x 4.5m rectangular prism of Topopah Spring tuff, was excavated at Fran Ridge near Yucca Mountain. The Large Block was heated to a peak temperature of 145\\deg C along a horizontal plane 2.75m below the top of the block over a period of about one-year. Displacements were measured in three orthogonal directions with an array of six Multiple Point Borehole Extensometers (MPBX) and were numerically simulated in three dimensions with 3DEC, a distinct element code. The distinct element method was chosen to incorporate discrete fractures in the simulations. The model domain was extended 23m below the ground surface and, in the subsurface, 23m outward from each vertical face so that fixed displacement boundary conditions could be applied well away from the heated portion of the block. A single continuum model and three distinct element models, incorporating six to twenty eight mapped fractures, were tested. Two thermal expansion coefficients were tested for the six-fracture model: a higher value taken from laboratory measurements and a lower value from an earlier field test. The MPBX data show that the largest displacements occurred in the upper portion of the block despite the higher temperatures near the center. The continuum model was found to under-predict the MPBX displacements except in the east west direction near the base of the block. The high thermal expansion model over-predicted the MPBX displacements except in the north south direction near the top of the block. The highly fractured model under-predicted most of the MPBX displacements and poorly simulated the cool-down portion of the test. Although no model provided the single best fit to all of the MPBX data, the six and seven fracture models consistently provided good fits and in most cases showed much improvement over the other three models. Both provided particularly good fits to the east west displacements in the upper portion of the block throughout the entire test. This exercise demonstrates that distinct element models can surpass continuum models in their ability to simulate fractured rock mass deformation, but care needs to be taken in the selection of fractures incorporated in the models. *This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48.