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At least 1,729 records · Page 96

Seasonal Disorder in Urban Traffic Patterns: A Low Rank Analysis

This article proposes several advances to sparse nonnegative matrix factorization (SNMF) as a way to identify large-scale patterns in urban traffic data. The input to our model is traffic counts organized by time and location. Nonnegative matrix factorization additively decomposes this information, organized as a matrix, into a linear sum of temporal signatures. Penalty terms encourage this factorization to concentrate on only a few temporal signatures, with weights which are not too large. Our interest here is to quantify and compare the regularity of traffic behavior, particularly across different broad temporal windows. In addition to the rank and error, we adapt a measure introduced by Hoyer to quantify sparsity in the representation. Combining these, we construct several curves which quantify error as a function of rank (the number of possible signatures) and sparsity; as rank goes up and sparsity goes down, the approximation can be better and the error should decreases. Plots of several such curves corresponding to different time windows leads to a way to compare disorder/order at different time scalewindows. In this paper, we apply our algorithms and procedures to study a taxi traffic dataset from New York City. In this dataset, we find weekly periodicity in the signatures, which allows us an extra framework for identifying outliers as significant deviations from weekly medians. We then apply our seasonal disorder analysis to the New York City traffic data and seasonal (spring, summer, winter, fall) time windows. We do find seasonal differences in traffic order.

97 MATHEMATICS AND COMPUTING↗

Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias

To begin, many state-of-the-art methods for the thermodynamic and kinetic characterization of large and complex biomolecular systems by simulation rely on ensemble approaches, where data from large numbers of relatively short trajectories are integrated. In this context, Markov state models (MSMs) are extremely popular because they can be used to compute stationary quantities and long-time kinetics from ensembles of short simulations, provided that these short simulations are in “local equilibrium” within the MSM states. However, over the last 15 years since the inception of MSMs, it has been controversially discussed and not yet been answered how deviations from local equilibrium can be detected, whether these deviations induce a practical bias in MSM estimation, and how to correct for them. In this paper, we address these issues: We systematically analyze the estimation of MSMs from short non-equilibrium simulations, and we provide an expression for the error between unbiased transition probabilities and the expected estimate from many short simulations. We show that the unbiased MSM estimate can be obtained even from relatively short non-equilibrium simulations in the limit of long lag times and good discretization. Further, we exploit observable operator model (OOM) theory to derive an unbiased estimator for the MSM transition matrix that corrects for the effect of starting out of equilibrium, even when short lag times are used. Finally, we show how the OOM framework can be used to estimate the exact eigenvalues or relaxation time scales of the system without estimating an MSM transition matrix, which allows us to practically assess the discretization quality of the MSM. Applications to model systems and molecular dynamics simulation data of alanine dipeptide are included for illustration. The improved MSM estimator is implemented in PyEMMA of version 2.3.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimizing the Performance of Sparse-Matrix Vector Products on Next-Generation Processors

Matrix-vector products are ubiquitous in high-performance scientific applications and have a growing set of occurrences in advanced data analysis activities. Achieving high performance for these kernels is therefore paramount, in part, because these operations can consume vast amounts of application execution time. In this report we document the development of several sparse-matrix vector product kernel implementations using a variety of programming models and approaches. Each kernel is run on a broad set of matrices selected to demonstrate the wide variety of matrix structure and sparsity that is possible with a single, generic kernel. For benchmarking and performance analysis, we utilize leading computing architectures for the NNSA/ASC program including Intel's Knights Landing processor and IBM's POWER8.

97 MATHEMATICS AND COMPUTING↗

Uncertainty Modeling for Structural Control Analysis and Synthesis

The development of an accurate model of uncertainties for the control of structures that undergo a change in operational environment, based solely on modeling and experimentation in the original environment is studied. The application used throughout this work is the development of an on-orbit uncertainty model based on ground modeling and experimentation. A ground based uncertainty model consisting of mean errors and bounds on critical structural parameters is developed. The uncertainty model is created using multiple data sets to observe all relevant uncertainties in the system. The Discrete Extended Kalman Filter is used as an identification/parameter estimation method for each data set, in addition to providing a covariance matrix which aids in the development of the uncertainty model. Once ground based modal uncertainties have been developed, they are localized to specific degrees of freedom in the form of mass and stiffness uncertainties. Two techniques are presented: a matrix method which develops the mass and stiffness uncertainties in a mathematical manner; and a sensitivity method which assumes a form for the mass and stiffness uncertainties in macroelements and scaling factors. This form allows the derivation of mass and stiffness uncertainties in a more physical manner. The mass and stiffness uncertainties of the ground based system are then mapped onto the on-orbit system, and projected to create an analogous on-orbit uncertainty model in the form of mean errors and bounds on critical parameters. The Middeck Active Control Experiment is introduced as experimental verification for the localization and projection methods developed. In addition, closed loop results from on-orbit operations of the experiment verify the use of the uncertainty model for control analysis and synthesis in space.

Campbell, Mark E.↗

Preliminary Interpretations from Fall 2018 Field Test at Ne’ot Hovav

Presentation conclusions: Conservative tracer transport was reasonably consistent with earlier tests between RH11c and RH11a; No attempt to model bentonite colloids because of minimal elevation of Al concentrations over background; Modeling confirms what we knew already for Cs and Ce; Cs transports as solute that sorbs in matrix (after diffusion into matrix); Ce transports as colloid that is rapidly filtered; Sr not modeled, but qualitatively appears consistent with combination of colloid and solute transport

54 ENVIRONMENTAL SCIENCES↗

Thermal environment around the Space Shuttle with hot-gas jets for ice suppression

To prevent prelaunch ice formation on the external tank of the Space Shuttle, the final selected approach is to heat the surrounding air with vertical hot-gas jets located at the launch pad. This approach was considerably more cost-effective than other ice suppression methods considered, although its feasibility was not easily discernible due to the complex flowfield interactions. This paper describes how the use of vertical jets was first evaluated with the aid of a computational fluid dynamics (CFD) technique. An existing general-purpose CFD program (PHOENICS) was used to predict the thermal environment around the Shuttle under various jet configurations and wind conditions. The program accounts for effects of buoyancy, turbulence, and structural obstructions in the flowfield. The computed results showed physically plausible and consistent trends. The wind wake effects were found to be significant, and normally resulted in higher temperatures on the leeward side of the tank. High wind conditions were found to be more severe than calm wind conditions. The use of four jets with two different temperatures was identified as a promising option in which the air temperatures were raised sufficiently to prevent ice formation on the external tank, without excessive increase in Orbiter surface temperature. The use of the numerical model also facilitated the selection of test configurations and a test matrix for verifying the approach. Selected results of an experimental verification (by using a 2 percent scale model in a wind tunnel) are also presented.

Singhal, A. K.↗

Micromechanical characterization of nonlinear behavior of advanced polymer matrix composites

Due to the presence of curing stresses and oriented crystalline structures in the matrix of polymer matrix fiber composites, the in situ nonlinear properties of the matrix are expected to be rather different from those of the bulk resin. A plane stress micromechanical model was developed to retrieve the in situ elastic-plastic properties of Narmco 5260 and Amoco 8320 matrices from measured elastic-plastic properties of IM7/5260 and IM7/8320 advance composites. In the micromechanical model, the fiber was assumed to be orthotropically elastic and the matrix to be orthotropic in elastic and plastic properties. The results indicate that both in situ elastic and plastic properties of the matrices are orthotropic.

Gates, Thomas S.↗

The Influence of Temperature on the Cyclic Properties of the Transversely Isotropic Nanocomposite System Under Kinematic Harmonic Loading

A micromechanical model is developed to determine the effective inelastic properties of nanocomposites under monoharmonic deformation by taking into account the detailed microstructural geometries and constitutive models of the constituents. By using the correspondence principle in viscoelasticity and the modified Mori–Tanaka method, the effects of interface between the inclusion and the matrix are taken into account. By applying the developed model, we perform the numerical analysis aimed at the determination of complex moduli for a polymeric nanocomposite reinforced with nanofibers composed from carbon nanotubes under the isothermal conditions. The dependences of complex moduli on temperature and the amplitude of strain intensity are analyzed. The composites reinforced with unidirectionally aligned nanofibers are considered. The accumulated results demonstrate a strong dependence of the storage and loss moduli on temperature within a broad temperature range. The storage and loss moduli are found to monotonically increase with the volume fraction of nanofibers. At the same time, they decrease as temperature increases. The obtained results show that the strength of material decreases as temperature increases in the elastic and inelastic regions and the inelastic behavior occurs for lower strain amplitude as temperature increases.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Effect of Nucleation Heterogeneity on Mineral Precipitation in Confined Environments

Abstract The formation of new mineral phases in confined environments, especially in porous media, is crucial for various geological processes like mineralization and diagenesis. The nucleation and precipitation of minerals are initiated at the microscale through fluid‐rock interaction, where dissolution of primary phases leads to supersaturated conditions and nucleation and growth of secondary ones. Previous research has focused primarily on either precipitation or nucleation, without fully exploring their combined impact. Our study introduces a computational framework that integrates classical nucleation theory with the micro‐continuum method. We validated our model by comparing with experiments, and discovered that different surface nucleation rate changes the mode of precipitation from a preferential to uniform precipitate textures. Furthermore, our study uncovered that the conventional deterministic precipitation method tends to underestimate the permeability of the porous matrix. In contrast, the new framework significantly improves model accuracy by incorporating preferential precipitation and heterogeneous nucleation.

58 GEOSCIENCES↗

Approaching the self-dual point of the sinh-Gordon model

One of the most striking but mysterious properties of the sinh-Gordon model (ShG) is the b → 1/b self-duality of its S-matrix, of which there is no trace in its Lagrangian formulation. Here b is the coupling appearing in the model’s eponymous hyperbolic cosine present in its Lagrangian, cosh(bΦ). In this paper we develop truncated spectrum methods (TSMs) for studying the sinh-Gordon model at a finite volume as we vary the coupling constant. We obtain the expected results for b << 1 and intermediate values of b, but as the self-dual point b = 1 is approached, the basic application of the TSM to the ShG breaks down. We find that the TSM gives results with a strong cutoff Ec dependence, which disappears according only to a very slow power law in Ec. Standard renormalization group strategies — whether they be numerical or analytic — also fail to improve upon matters here. We thus explore three strategies to address the basic limitations of the TSM in the vicinity of b = 1. In the first, we focus on the small-volume spectrum. We attempt to understand how much of the physics of the ShG is encoded in the zero mode part of its Hamiltonian, in essence how ‘quantum mechanical’ vs ‘quantum field theoretic’ the problem is. In the second, we identify the divergencies present in perturbation theory and perform their resummation using a supra-Borel approximate. In the third approach, we use the exact form factors of the model to treat the ShG at one value of b as a perturbation of a ShG at a different coupling. In the light of this work, we argue that the strong coupling phase b > 1 of the Lagrangian formulation of model may be different from what is naïvely inferred from its S-matrix. In particular, we present an argument that the theory is massless for b > 1.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Critical speeds and forced response solutions for active magnetic bearing turbomachinery, part 1

The prediction of critical speeds and forced response of active magnetic bearing turbomachinery is of great interest due to the increased use of this new and promising technology. Calculating the system undamped critical speeds and forced response is important to all those who are involved in the design of the active magnetic bearing system. An extended Jeffcott model which was used as an approximate solution to a more accurate transfer matrix procedure is presented. Theory behind a two-degree-of freedom extended Jeffcoat model is presented. Results of the natural frequency calculation are shown followed by the results of the forced response calculation. The system response was predicted for two types of forcing. A constant magnitude excitation with a wide frequency variation was applied at the bearings as one forcing function. The normal unbalance force at the midspan was the second source of excitation. The results of this extended Jeffcott solution gives useful design guidance for the influence of the first and third modes of a symmetric rotor system.

Keesee, J.↗

Modelling of thick composites using a layerwise laminate theory

The layerwise laminate theory of Reddy (1987) is used to develop a layerwise, two-dimensional, displacement-based, finite element model of laminated composite plates that assumes a piecewise continuous distribution of the tranverse strains through the laminate thickness. The resulting layerwise finite element model is capable of computing interlaminar stresses and other localized effects with the same level of accuracy as a conventional 3D finite element model. Although the total number of degrees of freedom are comparable in both models, the layerwise model maintains a 2D-type data structure that provides several advantages over a conventional 3D finite element model, e.g. simplified input data, ease of mesh alteration, and faster element stiffness matrix formulation. Two sample problems are provided to illustrate the accuracy of the present model in computing interlaminar stresses for laminates in bending and extension.

Robbins, D. H., Jr.↗

A fully associative, nonisothermal, nonlinear kinematic, unified viscoplastic model for titanium alloys

Specific forms for both the Gibb's and complementary dissipation potentials are chosen such that a complete (i.e., fully associative) potential base multiaxial, nonisothermal unified viscoplastic model is obtained. This model possesses one tensorial internal state variable (that is, associated with dislocation substructure) and an evolutionary law that has nonlinear kinematic hardening and both thermal and strain induced recovery mechanisms. A unique aspect of the present model is the inclusion of nonlinear hardening through the use of a compliance operator, derived from the Gibb's potential, in the evolution law for the back stress. This nonlinear tensorial operator is significant in that it allows both the flow and evolutionary laws to be fully associative (and therefore easily integrated), greatly influences the multiaxial response under non-proportional loading paths, and in the case of nonisothermal histories, introduces an instantaneous thermal softening mechanism proportional to the rate of change in temperature. In addition to this nonlinear compliance operator, a new consistent, potential preserving, internal strain unloading criterion has been introduced to prevent abnormalities in the predicted stress-strain curves, which are present with nonlinear hardening formulations, during unloading and reversed loading of the external variables. The specific model proposed is characterized for a representative titanium alloy commonly used as the matrix material in SiC fiber reinforced composites, i.e., TIMETAL 21S. Verification of the proposed model is shown using 'specialized' non-standard isothermal and thermomechanical deformation tests.

Arnold, S. M.↗

Mechanical Behavior and Analytical Modeling of Melt-Infiltrated SiC/SiC Woven Composite

The desirable properties in ceramic matrix composites (CMCs), such as high temperature strength, corrosion resistance, high toughness, low density, or good creep resistance have led to increased use of CMCs in high-speed engine structural components and structures that operate in extreme temperature and hostile aero-thermo-chemical environments. Ceramic matrix composites have been chosen for turbine material in the design of 21st century civil propulsion systems to achieve high fuel economy, improved reliability, extended life, and reduced cost. Most commercial CMCs are manufactured using a chemical vapor infiltration (CVI) process. However, a lower cost fabrication known as melt-infiltration process is also providing CMCs marked for use in hot sections of high-speed civil transports. Limited samples of a SiC/SiC melt-infiltrated woven composites are being investigated at room and elevated temperature below and above matrix cracking. These samples show graceful failure and toughness at room temperature with a reduction in strength and modulus at elevated temperatures. A generic finite element model is also being developed to predict monotonic and cyclic loading behavior of the woven composite. Use of the initial test data from the woven composite is being used for the development of the analytical model. This model is the first of a iterative process leading towards the development the model's capability to predict behavior at room and elevated temperature for monotonic and cyclic loading. The purpose of this paper is to report on the material and mechanical findings of the SiC/SiC melt-infiltrated woven composite and progress on the development of the finite element model.

Lang, J.↗

On a model of calculating bond strength

Diffusion bonding is a fabricating process to join the fibers and a matrix together forming a composite. The efficiency of the bonding process depends on temperature, time, and pressure. Based on a simplified pair potential model, an expression for the bond-energy at the fiber-matrix interface is formulated in terms of the above-mentioned three parameters. From this expression and the mean atomic distance, the bond-strength between the fibers and the matrix can be calculated.

Yue, A. S.↗

Bayesian chain graph models to characterize microbe-environment dynamics

Microbiome data require statistical models that can simultaneously decode microbes' reaction to the environment and interactions among microbes. While a multiresponse linear regression model seems like a straight-forward solution, we argue that treating it as a graphical model is problematic given that the regression coefficient matrix does not encode the conditional dependence structure between response and predictor nodes. This observation is especially important in biological settings when we have prior knowledge on the edges from specific experimental interventions that can only be properly encoded under a conditional dependence model. Here, we propose a chain graph model with two sets of nodes (predictors and responses) whose solution yields a graph with edges that indeed represent conditional dependence, thus agreeing with the experimenter's intuition on the average behavior of nodes under treatment. The solution to our model is sparse via the Bayesian linear regression (LASSO). In addition, we propose an adaptive extension so that different shrinkages can be applied to different edges to incorporate edge-specific prior knowledge. Our model is computationally inexpensive through an efficient Gibbs sampling algorithm and can account for binary, counting, and compositional responses via an appropriate hierarchical structure. We test the performance of our model in a variety of simulated datasets, thereby showing superior performance to state-of-the-art approaches. We further apply our model to human gut and soil microbial compositional datasets, and we highlight that CG-LASSO can estimate biologically meaningful network structures in the data.

compositional data↗

Wideband, high speed switch matrix development for SS-TDMA applications

The paper describes the design of an SS-TDMA microwave switch matrix being developed as part of the NASA 30/20 GHz Communications Satellite Program. A critical element in the systems development is the high-speed wideband switching capability necessary for 30/20 GHz SS-TDMA trunking service interconnections. A proof-of-concept model of a 20-by-20 microwave switch matrix with a 2.5 GHz bandwidth and 10-nanosecond switching speeds is being developed to realize this capability.

Prather, W. H.↗

A non-local, ordinary-state-based viscoelasticity model for peridynamics.

A non-local, ordinary-state-based, peridynamics viscoelasticity model is developed. In this model, viscous effects are added to deviatoric deformations and the bulk response remains elastic. The model uses internal state variables and is conceptually similar to linearized isotropic viscolelasticity in the local theory. The modulus state, which is used to form the Jacobian matrix in Newton-Raphson algorithms, is presented. The model is shown to satisfy the 2nd law of thermodynamics and is applicable to problems in solid continuum mechanics where fracture and rate effects are important; it inherits all the advantages for modeling fracture associated with peridynamics. By combining this work with the previously published ordinary-state-based plasticity model, the model may be amenable to viscoplasticity problems where plasticity and rate effects are simultaneously important. Also, the model may be extended to include viscous effects for spherical deformations as well. The later two extensions are not presented and may be the subject of further work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗