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At least 1,585 records · Page 88

A projection-based analytical Jacobian framework for chemical kinetics applications

A major challenge in simulating complex combustion systems with detailed chemical kinetic models is the cost of integrating the chemical source terms, often done using stiff ODE solvers that require frequent Jacobian evaluations. Using analytically derived Jacobian matrices instead of divided-difference-based numerical Jacobian approximations can significantly reduce the associated computational cost. However, ambiguities arise in the formulation of analytical Jacobians because the chemical state of the system, or state vector, can be expressed in multiple ways, involving variables that are typically not independent from one another. Here, in this work, the consequences of those ambiguities on practical calculations are characterized in detail, and a generalized, projection-based framework is proposed as a mitigation strategy. Performances are assessed in a series of test cases involving a variety of configurations and numerical solution approaches. Results show that with proper treatment, commonly used analytical Jacobian formulations can be considered as equivalent for practical purposes, thereby alleviating concerns that the state vector chosen to express the governing equations and corresponding analytical Jacobian may significantly impact the accuracy of the simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design of feedforward-cascade controllers for multivariable systems

The problems of disturbance decoupling and command matching in linear multivariable systems by means of feedforward and cascade controllers are formulated and solved in a transfer-function setting. It is shown that a necessary and sufficient condition for existence of the required controllers is that the plant zero polynomial is not identically zero and is stable. The required controllers are realized by parallel combination of a proportional-multiple-derivative term and a dynamic term, where the order of the dynamic term does not exceed the number of plant transmission zeros. The control scheme proposed in the paper is composed of a stabilizing feedback controller to enhance system stability, a feedforward controller to achieve disturbance decoupling and a cascade controller to ensure command matching. The three controllers have no effect on each other and can therefore be designed independently. A numerical example is given for illustration.

Seraji, H.↗

Autonomous Agents: The Origins and Co-Evolution of Reproducing Molecular Systems

The central aim of this award concerned an investigation into, and adequate formulation of, the concept of an "autonomous agent." If we consider a bacterium swimming upstream in a glucose gradient, we are willing to say of the bacterium that it is going to get food. That is, we are willing, and do, describe the bacterium as acting on its own behalf in an environment. All free living cells are, in this sense, autonomous agents. But the bacterium is "just" a set of molecules. We define an autonomous agent as a physical system able to act on its own behalf in an environment, then ask, "What must a physical system be to be an autonomous agent?" The tentative definition for a molecular autonomous agent is that it must be self-reproducing and carry out at least one thermodynamic work cycle. The work carried out in this grant involved, among other features, the development of a detailed model of a molecular autonomous agent, and study of the kinetics of this system. In particular, a molecular autonomous agent must, by the above tentative definition, not only reproduce, but must carry out at least one work cycle. I took, as a simple example of a self-reproducing molecular system, the single-stranded DNA hexamer 3'CCGCGG5' which can line up and ligate its two complementary trimers, 5'CCG3' and 5'CGG3'. But the two ligated trimers constitute the same molecular sequence in the 3' to 5' direction as the initial hexamer, hence this system is autocatalytic. On the other hand the above system is not yet an autonomous agent. At the minimum, autonomous agents, as I have defined them, are a new class of chemical reaction network. At a maximum, they may constitute a proper definition of life itself.

Kauffman, Stuart↗

Concept and realization of unmanned aerial system with different modes of operation

In this paper we describe the development process of unmanned aerial system, its mechanical components, electronics and software solutions. During the stage of design, we have formulated some necessary requirements for the multirotor vehicle and ground control station in order to build an optimal system which can be used for the reconnaissance missions. Platform is controlled by use of the ground control station (GCS) and has possibility of accomplishing video based observation tasks. In order to fulfill this requirement the on-board payload consists of mechanically stabilized camera augmented with machine vision algorithms to enable object tracking tasks. Novelty of the system are four modes of flight, which give full functionality of the developed UAV system. Designed ground control station is consisted not only of the application itself, but also a built-in dedicated components located inside the chassis, which together creates an advanced UAV system supporting the control and management of the flight. Mechanical part of quadrotor is designed to ensure its robustness while meeting objectives of minimizing weight of the platform. Finally the designed electronics allows for implementation of control and estimation algorithms without the needs for their excessive computational optimization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Evolution of the Earth-Moon system

The tidal evolution of the Earth-Moon system is reexamined. Several models of tidal friction are first compared in an averaged Hamiltonian formulation of the dynamics. With one of these models, full integrations of the tidally evolving Earth-Moon system are carried out in the complete, fully interacting, and chaotically evolving planetary system. Classic results on the history of the lunar orbit are confirmed by our more general model. A detailed history of the obliquity of the Earth which takes into account the evolving lunar orbit is presented.

Touma, Jihad↗

Improving high level waste solids mobilization and transfer through Hanford double-shell tanks - 15099

The Hanford Tank Operations Contractor (TOC) and the Hanford Waste Treatment and Immobilization Plant (WTP) contractor are both engaged in demonstrating mixing, sampling, and transfer system capabilities using simulated Hanford High-Level Waste (HLW) formulations. Efficient and effective handling of solid radioactive waste is essential to the successful completion of River Protection Project (RPP) mission and the Department of Energy's Hanford site. The TOC ust transfer over 416 million liters (110 million gallons) of HLW slurry through a complex system of 28 double shell tanks (DSTs) of approximately 3.8 million liters (1 million gallons) each as it is staged and delivered to the WTP. Through the use of scaled tanks and non-radioactive simulants, the TOC has identified operational methodologies for mixer pumps that enhance the movement of the solids through the DST system which will minimize the amount of solids remaining for final tank closeout. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Solving Eco-Driving Problems Using Indirect Collocation Method and Smooth Representation

Here, we discuss the eco-driving problem, considering both electric and conventional powertrains, and presents a pathway to solving it numerically using an indirect collocation method. Despite the low-order system dynamics, the piecewise fuel/efficiency map, gear shifting, and real-world traffic/road situations bring system discontinuities/switchings and pure state constraints into the problem formulation, which make the problem highly nonlinear and nontrivial to solve. This letter introduces smooth approximations to convert the original problem to an unconstrained (and penalized) smooth boundary-value problem. This approach eliminates the discussion of the switching structure and leads to a lightweight Newton-method-based solution procedure.

42 ENGINEERING↗

A Precision Deployable Aperture System Facility

This paper describes an overview of the precision environment test enclosure for testing the structures, a metrology system for absolute measurement at the micron level and the formulation of a modeling methodology that integrates the measurement of aperture components or subsystems w1th models for direct validation.

modeling↗

Wind Power Ramping Product for Increasing Power System Flexibility

With increasing penetrations of wind power, system operators are concerned about a potential lack of system flexibility and ramping capacity in real-time dispatch stages. In this paper, a modified dispatch formulation is proposed considering the wind power ramping product (WPRP). A swinging door algorithm (SDA) and dynamic programming are combined and used to detect WPRPs in the next scheduling periods. The detected WPRPs are included in the unit commitment (UC) formulation considering ramping capacity limits, active power limits, and flexible ramping requirements. The modified formulation is solved by mixed integer linear programming. Numerical simulations on a modified PJM 5-bus System show the effectiveness of the model considering WPRP, which not only reduces the production cost but also does not affect the generation schedules of thermal units.

17 WIND ENERGY↗

Ambiguities in spaceborne synthetic aperture radar systems

An examination of aspects of spaceborne SAR time delay and Doppler ambiguities has led to the formulation of an accurate method for the evaluation of the ratio of ambiguity intensities to that of the signal, which has been applied to the nominal SAR system on Seasat. After discussing the variation of this ratio as a function of orbital latitude and attitude control error, it is shown that the detailed range migration-azimuth phase history of an ambiguity is different from that of a signal, so that the images of ambiguities are dispersed. Seasat SAR dispersed images are presented, and their dispersions are eliminated through an adjustment of the processing parameters. A method is also presented which uses a set of multiple pulse repetition sequences to determine the Doppler centroid frequency absolute values for SARs with high carrier frequencies and poor attitude measurements.

Li, F. K.↗

A method to stabilize linear systems using eigenvalue gradient information

Formal optimization methods and eigenvalue gradient information are used to develop a stabilizing control law for a closed loop linear system that is initially unstable. The method was originally formulated by using direct, constrained optimization methods with the constraints being the real parts of the eigenvalues. However, because of problems in trying to achieve stabilizing control laws, the problem was reformulated to be solved differently. The method described uses the Davidon-Fletcher-Powell minimization technique to solve an indirect, constrained minimization problem in which the performance index is the Kreisselmeier-Steinhauser function of the real parts of all the eigenvalues. The method is applied successfully to solve two different problems: the determination of a fourth-order control law stabilizes a single-input single-output active flutter suppression system and the determination of a second-order control law for a multi-input multi-output lateral-directional flight control system. Various sets of design variables and initial starting points were chosen to show the robustness of the method.

Wieseman, C. D.↗

Best Practices and Testing Protocols for Benchmarking ORR Activities of Fuel Cell Electrocatalysts Using Rotating Disk Electrode

Abstract Thin-film-rotating disk electrodes (TF-RDEs) are the half-cell electrochemical system of choice for rapid screening of oxygen reduction reaction (ORR) activity of novel Pt supported on carbon black supports (Pt/C) electrocatalysts. It has been shown that the magnitude of the measured ORR activity and reproducibility are highly dependent on the system cleanliness, evaluation protocols, and operating conditions as well as ink formulation, composition, film drying, and the resultant film thickness and uniformity. Accurate benchmarks of baseline Pt/C catalysts evaluated using standardized protocols and best practices are necessary to expedite ultra-low-platinum group metal (PGM) catalyst development that is crucial for the imminent commercialization of fuel cell vehicles. We report results of evaluation in three independent laboratories of Pt/C electrocatalysts provided by commercial fuel cell catalyst manufacturers (Johnson Matthey, Umicore, Tanaka Kikinzoku Kogyo—TKK). The studies were conducted using identical evaluation protocols/ink formulation/film fabrication albeit employing unique electrochemical cell designs specific to each laboratory. The ORR activities reported in this work provide a baseline and criteria for selection and scale-up of novel high activity ORR electrocatalysts for implementation in proton exchange membrane fuel cells (PEMFCs).

Kocha, Shyam S.↗

Deep anomaly detection for industrial systems: a case study

We explore the use of deep neural networks for anomaly detection of industrial systems where the data are multivariate time series measurements. We formulate the problem as a self-supervised learning where data under normal operation are used to train a deep neural network autoregressive model, i.e., use a window of time series data to predict future data values. The aim of such a model is to learn to represent the system dynamic behavior under normal conditions, while expect higher model vs. measurement discrepancies under faulty conditions. In real world applications, many control settings are discrete in nature. In this paper, vector embedding and joint losses are employed to deal with such situations. Both LSTM and CNN based deep neural network backbones are studied on the Secure Water Treatment (SWaT) testbed datasets. Also, Support Vector Data Description (SVDD) method is adapted to such anomaly detection settings with deep neural networks. Evaluation methods and results are discussed based on the SWaT dataset along with potential pitfalls.

anomaly detection, deep neural network↗

Correlation matrix renormalization theory in multi-band lattice systems

An appropriate treatment of electronic correlation effects plays an important role in accurate descriptions of physical and chemical properties of real materials. The recently proposed correlation matrix renormalization theory with sum rule correction (CMR) for studying correlated-electron materials has shown good performance in molecular systems and a periodic hydrogen chain in comparison with various quantum chemistry and quantum Monte Carlo calculations. Additionally, this work gives a detailed formulation and computational code implementation of CMR in multi-band periodic lattice systems. This lattice CMR ab initio theory is highly efficient, has no material specific adjustable parameters, and has no double counting issues faced by the hybrid approaches like LDA + U, DFT + DMFT and DFT + GA type theories. Benchmark studies on materials with s and p orbitals in this study show that CMR in its current implementation consistently performs well for these systems as the electron correlation increases from the bonding region to the bond breaking region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Galerkin method for the estimation of parameters in hybrid systems governing the vibration of flexible beams with tip bodies

An approximation scheme is developed for the identification of hybrid systems describing the transverse vibrations of flexible beams with attached tip bodies. In particular, problems involving the estimation of functional parameters are considered. The identification problem is formulated as a least squares fit to data subject to the coupled system of partial and ordinary differential equations describing the transverse displacement of the beam and the motion of the tip bodies respectively. A cubic spline-based Galerkin method applied to the state equations in weak form and the discretization of the admissible parameter space yield a sequence of approximating finite dimensional identification problems. It is shown that each of the approximating problems admits a solution and that from the resulting sequence of optimal solutions a convergent subsequence can be extracted, the limit of which is a solution to the original identification problem. The approximating identification problems can be solved using standard techniques and readily available software.

Banks, H. T.↗

Space shuttle propulsion systems on-board checkout and monitoring system development study (extension). Volume 2: Guidelines for for incorporation of the onboard checkout and monitoring function on the space shuttle

Guidelines are presented for incorporation of the onboard checkout and monitoring function (OCMF) into the designs of the space shuttle propulsion systems. The guidelines consist of and identify supporting documentation; requirements for formulation, implementation, and integration of OCMF; associated compliance verification techniques and requirements; and OCMF terminology and nomenclature. The guidelines are directly applicable to the incorporation of OCMF into the design of space shuttle propulsion systems and the equipment with which the propulsion systems interface. The techniques and general approach, however, are also generally applicable to OCMF incorporation into the design of other space shuttle systems.

Source record↗

Series of semi-Markov processes to model infrastructure resilience under multihazards

Civil infrastructure systems are subjected to multiple hazards, including natural and anthropogenic, that disrupt their function or the level of service offered. Estimating the function recovery of these systems (or how soon normalcy of operations will be restored) when subjected to repeated hazard events by considering the inter-event dependencies is an important problem in multihazard infrastructure resilience. However, this problem has been less addressed in the field. This paper proposes a series of semi-Markov processes model to capture the inter-event dependencies in infrastructure recovery when subjected to successive hazard events. Recovery after each new hazard event is represented by a unique semi-Markov process that models the reduced recovery rates and the increased recovery times caused by the system’s incomplete recovery from the preceding event. Two novel formulations of the inter-event dependency modeling, namely Maximal Effects Dependency (considers the worst impact of two successive hazard events) and Cumulative Effects Dependency (considers the aggregated impacts of two successive hazard events), are proposed and discussed. The model is demonstrated by considering the following applications: Three-state system subjected to deterministic and random occurrences of identical hazard events; and Multihazard resilience of a building in Charleston, SC, considering earthquake and hurricane hazards. Results indicate that considering inter-event dependencies in recovery modeling can lead to lesser-predicted resilience, thereby affecting resilience-based decision-making.

42 ENGINEERING↗

Superfluid nucleon matter in and out of equilibrium and weak interactions

The Larkin-Migdal approach to a cold superfluid Fermi liquid is generalized for a nonequilibrium system. The Schwinger-Keldysh diagram technique is applied. The developed formalism is applicable to the pairing in the states with arbitrary angular momenta. We consider the white body radiation problem by calculating probabilities of different direct reactions from a piece of a fermion superfluid. The closed diagram technique is formulated in terms of the full Green's functions for systems with the pairing correlation. The cutting rules are used to classify the diagrams representing one-nucleon, two-nucleon, etc. processes in the matter. The important role of multi-piece diagrams for the vector-current conservation is demonstrated. In the case of equilibrated systems, dealing with dressed Green's functions, we demonstrate correspondence between calculations in the Schwinger-Kadanoff-Baym-Keldysh formalism and the ordinary Matsubara technique. As an example we consider neutrino radiation from the neutron pair breaking and formation processes in case of a singlet pairing. Necessary correlation effects are included. The in-medium renormalization of normal and anomalous vertices is performed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗