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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Combining PCA and nonlinear fitting of peak models to re-evaluate C 1s XPS spectrum of cellulose

Cellulose is an example of a material that responds to XPS by the creation of new chemistry not present in the as-received sample. While improvements in instrumentation may be seen in general as beneficial to surface science, recent studies have shown that the consequences for some materials are detrimental. Here, in this work, these problems are illustrated through an analysis of cellulose spectra obtained during a degradation study. C 1s spectra are decomposed into two well-formed component curves that are open to chemical interpretation. In particular, a component-curve representative of pure cellulose is obtained as well as a second component curve that implies cellulose is degraded through the creation of carbon chemistry involving C—O, C$=$O and O—C$=$O. Since cellulose is a crystalline material, formed through the alignment of molecules under the influence of hydrogen bonds, the analysis and findings presented in this paper are relevant to any material analyzed by XPS whose properties are dependent on hydrogen bonds. The analysis techniques are based on an informed vectorial approach, which extracts directly from data spectral shapes that are used to monitor sample degradation via linear least squares optimization. Related mathematics of Principal Component Analysis and linear analysis are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Averaging and Linear Programming in Some Singularly Perturbed Problems of Optimal Control

The paper aims at the development of an apparatus for analysis and construction of near optimal solutions of singularly perturbed (SP) optimal controls problems (that is, problems of optimal control of SP systems) considered on the infinite time horizon. We mostly focus on problems with time discounting criteria but a possibility of the extension of results to periodic optimization problems is discussed as well. Our consideration is based on earlier results on averaging of SP control systems and on linear programming formulations of optimal control problems. The idea that we exploit is to first asymptotically approximate a given problem of optimal control of the SP system by a certain averaged optimal control problem, then reformulate this averaged problem as an infinite-dimensional linear programming (LP) problem, and then approximate the latter by semi-infinite LP problems. We show that the optimal solution of these semi-infinite LP problems and their duals (that can be found with the help of a modification of an available LP software) allow one to construct near optimal controls of the SP system. We demonstrate the construction with two numerical examples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Goal-oriented optimal design of experiments for large-scale Bayesian linear inverse problems

We develop a framework for goal-oriented optimal design of experiments (GOODE) for large-scale Bayesian linear inverse problems governed by PDEs. This framework differs from classical Bayesian optimal design of experiments (ODE) in the following sense: we seek experimental designs that minimize the posterior uncertainty in the experiment end-goal, e.g. a quantity of interest (QoI), rather than the estimated parameter itself. This is suitable for scenarios in which the solution of an inverse problem is an intermediate step and the estimated parameter is then used to compute a QoI. In such problems, a GOODE approach has two benefits: the designs can avoid wastage of experimental resources by a targeted collection of data, and the resulting design criteria are computationally easier to evaluate due to the often low-dimensionality of the QoIs. We present two modified design criteria, A-GOODE and D-GOODE, which are natural analogues of classical Bayesian A- and D-optimal criteria. We analyze the connections to other ODE criteria, and provide interpretations for the GOODE criteria by using tools from information theory. Then, we develop an efficient gradient-based optimization framework for solving the GOODE optimization problems. Additionally, we present comprehensive numerical experiments testing the various aspects of the presented approach. The driving application is the optimal placement of sensors to identify the source of contaminants in a diffusion and transport problem. As a result, we enforce sparsity of the sensor placements using an L1-norm penalty approach, and propose a practical strategy for specifying the associated penalty parameter.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Connected Traffic Signal Coordination Optimization Framework through Network-Wide Adaptive Linear Quadratic Regulator–Based Control Strategy

Traffic congestion in metropolitan areas causes several significant challenges, such as longer travel times, decreased productivity, increased fuel consumption and vehicle emissions, and even severe injuries during crashes. Traffic signal control is a management approach to reduce traffic congestion and allocate the appropriate right of way for safety and mobility efficiency, both in temporal and spatial domains. Here, this study proposes a network-wide adaptive signal control coordination optimization framework based on the linear quadratic regulator algorithm. The traffic flow conditions driven by signal control inputs are formulated based on their network-wide state-space representation. After modeling traffic control regulation constraints, an adaptive linear quadratic regulator algorithm is designed to maximize the network-wide total throughput under the current conditions. Optimal signal control split time durations for multiple intersections in the network are derived by solving the algebraic Riccati equation. Furthermore, the recursive least square parameter estimation method is employed to quantify dynamic traffic condition changes. To verify the effectiveness of this proposed signal control framework, both simulation and real-world experimental tests are conducted for multiple intersections in downtown Chattanooga, Tennessee, United States. In preparation for real-world experimental tests, pipelines for real-time data processing implementation and historical traffic flow data analysis are conducted. The test results demonstrate that the proposed control framework achieves a decrease in travel time by up to 19.4%, total time spent (TTS) by up to 11.9%, and relative queue balance (RQB) by up to 15.6%. The research findings indicate that the proposed signal control framework can be generalized to handle large scale signal control optimization network-wide.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Optimization problems governed by systems of PDEs with uncertainties

This paper reviews current theoretical and numerical approaches to optimization problems governed by partial differential equations (PDEs) that depend on random variables or random fields. Such problems arise in many engineering, science, economics and societal decision-making tasks. This paper focuses on problems in which the governing PDEs are parametrized by the random variables/fields, and the decisions are made at the beginning and are not revised once uncertainty is revealed. Examples of such problems are presented to motivate the topic of this paper, and to illustrate the impact of different ways to model uncertainty in the formulations of the optimization problem and their impact on the solution. A linear–quadratic elliptic optimal control problem is used to provide a detailed discussion of the set-up for the risk-neutral optimization problem formulation, study the existence and characterization of its solution, and survey numerical methods for computing it. Different ways to model uncertainty in the PDE-constrained optimization problem are surveyed in an abstract setting, including risk measures, distributionally robust optimization formulations, probabilistic functions and chance constraints, and stochastic orders. Furthermore, approximation-based optimization approaches and stochastic methods for the solution of the large-scale PDE-constrained optimization problems under uncertainty are described. Some possible future research directions are outlined.

Heinkenschloss, Matthias [Rice Univ., Houston, TX ↗
DOE OSTI2023

Joint analysis of Dark Energy Survey Year 3 data and CMB lensing from SPT and P l a n c k . II. Cross-correlation measurements and cosmological constraints

Cross-correlations of galaxy positions and galaxy shears with maps of gravitational lensing of the cosmic microwave background (CMB) are sensitive to the distribution of large-scale structure in the Universe. Such cross-correlations are also expected to be immune to some of the systematic effects that complicate correlation measurements internal to galaxy surveys. We present measurements and modeling of the cross-correlations between galaxy positions and galaxy lensing measured in the first three years of data from the Dark Energy Survey with CMB lensing maps derived from a combination of data from the 2500 deg 2 SPT-SZ survey conducted with the South Pole Telescope and full-sky data from the Planck satellite. The CMB lensing maps used in this analysis have been constructed in a way that minimizes biases from the thermal Sunyaev Zel’dovich effect, making them well suited for cross-correlation studies. The total signal-to-noise of the cross-correlation measurements is 23.9 (25.7) when using a choice of angular scales optimized for a linear (nonlinear) galaxy bias model. Here we use the cross-correlation measurements to obtain constraints on cosmological parameters. For our fiducial galaxy sample, which consist of four bins of magnitude-selected galaxies, we find constraints of Ω m =0.272$^{+0.032}_{-0.052}$ and S 8 ≡σ8$\sqrt{Ω_m/0.3}$=0.736$^{+0.032}_{-0.028}$ (Ω m =0.245$^{+0.026}_{-0.044}$ and S 8 =0.734$^{+0.035}_{-0.028}$) when assuming linear (nonlinear) galaxy bias in our modeling. Considering only the cross-correlation of galaxy shear with CMB lensing, we find Ω m =0.270$^{+0.043}_{-0.061}$ and S 8 =0.740$^{+0.034}_{-0.029}$. Our constraints on S8 are consistent with recent cosmic shear measurements, but lower than the values preferred by primary CMB measurements from Planck.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Optimizing BAO measurements with non-linear transformations of the Lyman-α forest

We explore the effect of applying a non-linear transformation to the Lyman-α forest transmitted flux F=e{sup −τ} and the ability of analytic models to predict the resulting clustering amplitude. Both the large-scale bias of the transformed field (signal) and the amplitude of small scale fluctuations (noise) can be arbitrarily modified, but we were unable to find a transformation that increases significantly the signal-to-noise ratio on large scales using Taylor expansion up to the third order. In particular, however, we achieve a 33% improvement in signal to noise for Gaussianized field in transverse direction. On the other hand, we explore an analytic model for the large-scale biasing of the Lyα forest, and present an extension of this model to describe the biasing of the transformed fields. Using hydrodynamic simulations we show that the model works best to describe the biasing with respect to velocity gradients, but is less successful in predicting the biasing with respect to large-scale density fluctuations, especially for very nonlinear transformations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A time-parallel method for the solution of PDE-constrained optimization problems

We study a time-parallel approach to solving quadratic optimization problems with linear time-dependent partial differential equation (PDE) constraints. These problems arise in formulations of optimal control, optimal design and inverse problems that are governed by parabolic PDE models. They may also arise as subproblems in algorithms for the solution of optimization problems with nonlinear time-dependent PDE constraints, e.g., in sequential quadratic programming methods. We apply a piecewise linear finite element discretization in space to the PDE constraint, followed by the Crank-Nicolson discretization in time. The objective function is discretized using finite elements in space and the trapezoidal rule in time. At this point in the discretization, auxiliary state variables are introduced at each discrete time interval, with the goal to enable: (i) a decoupling in time; and (ii) a fixed-point iteration to recover the solution of the discrete optimality system. The fixed-point iterative schemes can be used either as preconditioners for Krylov subspace methods or as smoothers for multigrid (in time) schemes. We present promising numerical results for both use cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Adaptive Power Flow Approximations With Second-Order Sensitivity Insights

The power flow equations are fundamental to power system planning, analysis, and control. However, the inherent non-linearity and non-convexity of these equations present formidable obstacles in problem-solving processes. To mitigate these challenges, recent research has proposed adaptive power flow linearizations that aim to achieve accuracy over wide operating ranges. The accuracy of these approximations inherently depends on the curvature of the power flow equations within these ranges, which necessitates considering second-order sensitivities. In this paper, we leverage second-order sensitivities to both analyze and improve power flow approximations. We evaluate the curvature across broad operational ranges and subsequently utilize this information to inform the computation of various sample-based power flow approximation techniques. Additionally, we leverage second-order sensitivities to guide the development of rational approximations that yield linear constraints in optimization problems. In conclusion, this approach is extended to enhance accuracy beyond the limitations of linear functions across varied operational scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

WEC-Sim Modeling of Laminar Scientific's Patented Seesaw Wave Energy Converter: Preprint

Laminar Scientific's patented seesaw wave energy converter was modeled in WEC-Sim to predict performance. The device operates by utilizing ocean surface waves to rotate a truss in pitch about a pivot. The pivot is located at the top of two pylons, which are embedded in the seafloor. The seesaw has a float on either end, and the buoyancy forces from each float cause the system to rise or fall with passing waves. Device performance relies upon seesaw length and ocean wavelength creating an antiphase effect. The seesaw truss has an adjustable length intended to achieve this effect. The operation method enforces a narrow band of wavelengths which induce the largest rotational motion from the device. The hydrodynamic analysis of the device was performed using Capytaine, and the results confirmed that the device operates best in a narrow frequency band. Four float-to-float spacing cases and three pylon radii were examined. The hydrodynamic results indicate a match between the model and the physical expectations for the device, and that varying the pylon radii by 0.1-m increments for three instances creates minimal changes in hydrodynamic properties. Power matrices for three float spacing cases of the device were simulated with Joint North Sea Wave Project spectra waves and optimal power take-off damping in WEC-Sim. The maximum average power production for the 15-m spacing case was 14.1 kW with a 5.0-s peak wave period and 4-m significant wave heights. Plots of capture-width ratios indicated that the device performance was linear and confirmed that the device is optimal in a narrow frequency band. The maximum percentage of the available wave power produced by the 15-m device was approximately 16%. Simulations of the device in regular waves were used to produce plots of average power compared to a ratio of float spacing to wavelength. These plots indicate that the power production is maximized at a ratio of 0.5, and further confirm that the device has a narrow frequency response. The device was simulated at an example field location, where the device produced an annual average power rating of 1.6 kW given an average omnidirectional wave climate of 10.3 kW m-1 and an optimal, linearized power take-off model. While the maximum predicted device performance is reliant upon a narrow band of wave frequencies, the conducted analysis provides an opportunity to improve device design prior to prototyping and testing. Modifying the design to respond to a broader frequency range would improve device performance.

numerical modeling↗
DOE OSTI2017

Optimal current profile control for enhanced repeatability of L-mode and H-mode discharges in DIII-D

In this work, model-based control techniques are used to obtain target current profiles in low-confinement-mode (L-mode) as well as high-confinement-mode (H-mode) DIII-D discharges. The control problem is formulated as a trajectory optimization problem to search for a feasible path from the expected initial condition to the desired target. The result comprises a sequence of feedforward (open-loop) control requests and a corresponding state evolution from the initial condition to the desired target. On top of this optimal feedforward control sequence a feedback (closed-loop) controller based on a linearized model and optimal control design techniques is added to track the desired state evolution. Furthermore, the effectiveness of the control approach is demonstrated with experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Mitigation-Aware Bidding Strategies in Electricity Markets

Market power exercise in the electricity markets distorts market prices and diminishes social welfare. Many markets have implemented market power mitigation processes to eliminate the impact of such behavior. The design of mitigation mechanisms has a direct influence on investors' profitability and thus mid-/long-term resource adequacy. In order to evaluate the effectiveness of the existing market power mitigation mechanisms, this paper proposes a mitigation-aware strategic bidding model and studies the bidding strategies of the market participants under current practice. The proposed bidding model has a bilevel structure with strategic participant's profit maximization problem in the upper level and the dispatch problem for market operators in the lower level. In particular, the consideration of potential offer mitigation is incorporated as upper-level constraints based on the conduct and impact tests. This bilevel problem is reduced to a single-level mixed-integer linear program using the KKT optimality conditions, duality theory, and linearization. Numerical results illustrate how a strategic player can exercise market power to achieve a higher profit even under the current market power mitigation process and we analyze the social impact that the market power exercise results.

Wu, Yiqian↗
DOE OSTI2019

Novel refractive index sensor based on fiber bragg grating in nano-bore optical fiber

In this paper, we propose a novel refractive index sensor with large dynamic range based on fiber Bragg grating in the nano-bore optical fiber. The spectral responses of grating on the filling index in the bore with different bore diameters and index ranges are numerically studied by the finite element method and coupled mode theory based transmission matrix method. It is found that the Bragg wavelength of grating is sensitive to the filling index in the bore. The influences of bore diameter on the wavelength sensitivity, resolution and dynamic range of the index sensor are analyzed. There exists a trade off between the linear dynamic range and sensitivity of index when the bore diameter varies. The optimized wavelength sensitivity and resolution of filling index are 53.6923 nm/index unit and 9.3123 × 10{sup −6} index under a linear index range of 1.0–1.4 using 2 µm bore diameter. The optimized linear dynamic range of index is 1.0–1.48 with wavelength sensitivity of 13.3056 nm/index unit and resolution of 3.7578 × 10{sup −5} index using 1 µm bore diameter. Our proposed index sensor has the technical advantages of simple all-fiber structure, large index range, and potential capability to synchronously detect index, temperature and strain.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The impacts of oceanic deep temperature perturbations in the North Atlantic on decadal climate variability and predictability

Decadal climate predictability in the North Atlantic is largely related to ocean low frequency variability, whose sensitivity to initial conditions is not very well understood. Recently, three-dimensional oceanic temperature anomalies optimally perturbing the North Atlantic Mean Temperature (NAMT) have been computed via an optimization procedure using a linear adjoint to a realistic ocean general circulation model. The spatial pattern of the identified perturbations, localized in the North Atlantic, has the largest magnitude between 1000 and 4000 m depth. In the present study, the impacts of these perturbations on NAMT, on the Atlantic meridional overturning circulation (AMOC), and on climate in general are investigated in a global coupled model that uses the same ocean model as was used to compute the three-dimensional optimal perturbations. In the coupled model, these perturbations induce AMOC and NAMT anomalies peaking after 5 and 10 years, respectively, generally consistent with the ocean-only linear predictions. To further understand their impact, their magnitude was varied in a broad range. For initial perturbations with a magnitude comparable to the internal variability of the coupled model, the model response exhibits a strong signature in sea surface temperature and precipitation over North America and the Sahel region. The existence and impacts of these ocean perturbations have important implications for decadal prediction: they can be seen either as a source of predictability or uncertainty, depending on whether the current observing system can detect them or not. In fact, comparing the magnitude of the imposed perturbations with the uncertainty of available ocean observations such as Argo data or ocean state estimates suggests that only the largest perturbations used in this study could be detectable. This highlights the importance for decadal climate prediction of accurate ocean density initialisation in the North Atlantic at intermediate and greater depths.

54 ENVIRONMENTAL SCIENCES↗