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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5

Optimal control to handle variations in moisture content and reactor in-feed rate

The variations in feedstock characteristics, such as moisture and particle size distribution, lead to an inconsistent flow of feedstock from the biomass pre-processing system to the reactor in-feed system. These inconsistencies result in low on-stream times at the reactor in-feed equipment. This research develops an optimal process control method for a biomass pre-processing system comprised of milling and densification operations to provide the consistent flow of feedstock to a reactor's throat. This method uses a mixed-integer optimization model to identify optimal bale sequencing, equipment in-feed rate, and buffer location and size in the biomass pre-processing system. This method, referred to as the hybrid process control (HPC), aims to maximize throughput over time. We compare HPC with a baseline feed forward process control. Our case study based on switchgrass finds that HPC reduces the variation of a reactor's feeding rate by up to 100% without increasing the operating cost of the biomass pre-processing system for biomass with moisture ranging from 10 to 25%. Additionally, HPC reduces the cost of processing biomass by 0.36%–2.22%, and reduces processing time by 0.35%-2.24%. Furthermore, a biorefinery can adapt HPC to achieve its design capacity.

09 BIOMASS FUELS↗

A data-driven linear formulation of the optimal demand response scheduling problem for an industrial air separation unit

Demand response (DR) has become a key element in balancing the power grid as the contribution of time-varying renewable power generation increases. Chemical plants are appealing candidates for DR programs as they offer large, concentrated and flexible loads. DR participation calls for frequent production rate changes over time scales that overlap with the dominant dynamics of the plant. Production scheduling should therefore consider the process dynamics explicitly. Here we present a data-driven approach for modelling the scheduling-relevant dynamics based on historical closed-loop operating data using autoregressive with extra inputs (ARX) models. We introduce a new, linear scheduling problem formulation based on the ARX representation, and demonstrate its implementation on an industrial air separation unit.

42 ENGINEERING↗

Computing x-ray absorption spectra from linear-response particles atop optimized holes

State specific orbital optimized density functional theory (OO-DFT) methods, such as restricted open-shell Kohn–Sham (ROKS), can attain semiquantitative accuracy for predicting x-ray absorption spectra of closed-shell molecules. OO-DFT methods, however, require that each state be individually optimized. In this Communication, we present an approach to generate an approximate core-excited state density for use with the ROKS energy ansatz, which is capable of giving reasonable accuracy without requiring state-specific optimization. Herein, this is achieved by fully optimizing the core-hole through the core-ionized state, followed by the use of electron-addition configuration interaction singles to obtain the particle level. This hybrid approach can be viewed as a DFT generalization of the static-exchange (STEX) method and can attain ~0.6 eV rms error for the K-edges of C–F through the use of local functionals, such as PBE and OLYP. This ROKS(STEX) approach can also be used to identify important transitions for full OO ROKS treatment and can thus help reduce the computational cost of obtaining OO-DFT quality spectra. ROKS(STEX), therefore, appears to be a useful technique for the efficient prediction of x-ray absorption spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

GPU-resident sparse direct linear solvers for alternating current optimal power flow analysis

Integrating renewable resources within the transmission grid at a wide scale poses significant challenges for economic dispatch as it requires analysis with more optimization parameters, constraints, and sources of uncertainty. This motivates the investigation of more efficient computational methods, especially those for solving the underlying linear systems, which typically take more than half of the overall computation time. In this paper, we present our work on sparse linear solvers that take advantage of hardware accelerators, such as graphical processing units (GPUs), and improve the overall performance when used within economic dispatch computations. We treat the problems as sparse, which allows for faster execution but also makes the implementation of numerical methods more challenging. We present the first GPU-native sparse direct solver that can execute on both AMD and NVIDIA GPUs. We demonstrate significant performance improvements when using high-performance linear solvers within alternating current optimal power flow (ACOPF) analysis. Furthermore, we demonstrate the feasibility of getting significant performance improvements by executing the entire computation on GPU-based hardware. Finally, we identify outstanding research issues and opportunities for even better utilization of heterogeneous systems, including those equipped with GPUs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Uncovering interpretable relationships in high-dimensional scientific data through function preserving projections

Abstract In many fields of science and engineering, we frequently encounter experiments or simulations datasets that describe the behavior of complex systems and uncovering human interpretable patterns between their inputs and outputs via exploratory data analysis is essential for building intuition and facilitating discovery. Often, we resort to 2D embeddings for examining these high-dimensional relationships (e.g. dimensionality reduction). However, most existing embedding methods treat the dimensions as coordinates for samples in a high-dimensional space, which fail to capture the potential functional relationships, and the few methods that do take function into consideration either only focus on linear patterns or produce non-linear embeddings that are hard to interpret. To address these challenges, we proposed function preserving projections (FPP), which construct 2D linear embeddings optimized to reveal interpretable yet potentially non-linear patterns between the domain and the range of a high-dimensional function. The intuition here is that humans are good at understanding potentially non-linear patterns in 2D but unable to interpret non-linear mapping from high-dimensional space to 2D. Therefore, we should restrict the projection to linear but not the pattern we are seeking. Using FPP on real-world datasets, one can obtain fundamentally new insights about high-dimensional relationships in extremely large datasets that could not be processed with existing dimension reduction methods.

97 MATHEMATICS AND COMPUTING↗

Sequential linear integer programming for integer optimal control with total variation regularization

We propose a trust-region method that solves a sequence of linear integer programs to tackle integer optimal control problems regularized with a total variation penalty. The total variation penalty implies that the considered integer control problems admit minimizers. We introduce a local optimality concept for the problem, which arises from the infinite-dimensional perspective. In the case of a one-dimensional domain of the control function, we prove convergence of the iterates produced by our algorithm to points that satisfy first-order stationarity conditions for local optimality. We demonstrate the theoretical findings on a computational example.

97 MATHEMATICS AND COMPUTING↗

Optimal Power Flow Derived Sparse Linear Solver Benchmarks

Due to the changing nature of the power grid, it is increasingly important to be able to solve a high-fidelity optimal power-flow models on large power networks. This high-fidelity problem, called AC Optimal Power Flow (ACOPF), is a nonlinear, nonconvex optimization problem. One of the few reliable ways of solving such a problem is interior point methods. These methods result in sparse linear systems where the coefficient matrix is symmetric, indefinite and nearly always ill-conditioned. As such, they are particularly challenging for sparse linear solvers and represent a considerable computational bottleneck in solving the ACOPF problem. In this paper, we introduce a repository of linear systems captured from ACOPF problems when solved by the open-source optimizer IPOPT. These matrices are meant to be used as a test suite for sparse linear solver development.

97 MATHEMATICS AND COMPUTING↗

Error Estimates for the Optimal Control of a Parabolic Fractional PDE

In this work, we consider the integral definition of the fractional Laplacian and analyze a linear-quadratic optimal control problem for the so-called fractional heat equation; control constraints are also considered. We derive existence and uniqueness results, first order optimality conditions, and regularity estimates for the optimal variables. To discretize the state equation we propose a fully discrete scheme that relies on an implicit finite difference discretization in time combined with a piecewise linear finite element discretization in space. We derive stability results and a novel $L^2(0,T;L^2(\Omega))$ a priori error estimate. On the basis of the aforementioned solution technique, we propose a fully discrete scheme for our optimal control problem that discretizes the control variable with piecewise constant functions, and we derive a priori error estimates for it. We illustrate the theory with one- and two-dimensional numerical experiments.

97 MATHEMATICS AND COMPUTING↗

Wave Tank Testing Report for Controls Validation of a Heaving Point Absorber

The core objectives of this project is to improve the power capture of three different wave energy conversion (WEC) devices by more than 50% using an advanced control system and validate the attained improvements using wave tank and full scale testing. In parallel, we will bring along the development of a wave prediction system that is required to enable effective control and test it at full scale. The purposes of this report are to: 1. Plan and document the 1/25th scale device testing at the wave-tank facility; 2. Document the test article, setup and methodology, sensor and instrumentation, mooring, electronics, wiring, and data flow and quality assurance; 3. Communicate the testing results between the associated members; 4. Facilitate reviews that will help to ensure all aspects (risk, safety, testing procedures, etc.); 5. Provide a systematic guide to setting up, executing and decommissioning the experiment.

16 TIDAL AND WAVE POWER↗

Linear-in-temperature resistivity for optimally superconducting (Nd,Sr)NiO 2

The occurrence of superconductivity in proximity to various strongly correlated phases of matter has drawn extensive focus on their normal state properties, to develop an understanding of the state from which superconductivity emerges. The recent finding of superconductivity in layered nickelates raises similar interests. However, transport measurements of doped infinite-layer nickelate thin films have been hampered by materials limitations of these metastable compounds: in particular, a high density of extended defects. Here, by moving to a substrate (LaAlO 3 ) 0.3 (Sr 2 TaAlO 6 ) 0.7 that better stabilizes the growth and reduction conditions, we can synthesize the doping series of Nd 1– x Sr x NiO 2 essentially free from extended defects. In their absence, the normal state resistivity shows a low-temperature upturn in the underdoped regime, linear behaviour near optimal doping and quadratic temperature dependence for overdoping. This is phenomenologically similar to the copper oxides despite key distinctions—namely, the absence of an insulating parent compound, multiband electronic structure and a Mott–Hubbard orbital alignment rather than the charge-transfer insulator of the copper oxides. In this study, we further observe an enhancement of superconductivity, both in terms of transition temperature and range of doping. These results indicate a convergence in the electronic properties of both superconducting families as the scale of disorder in the nickelates is reduced.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Systems Analysis Approach to Polyethylene Terephthalate and Olefin Plastics Supply Chains in the Circular Economy: A Review of Data Sets and Models

The environmental and economic impacts of implementing a circular economy in plastic waste supply chains are not well understood. The proposed systems analysis framework assesses environmental, social, and economic impacts of plastic waste supply chains in a circular economy. The first objective of this article is to identify datasets, models and knowledge gaps associated with waste plastic supply chain processes, mainly in the U.S. Our literature review indicated that the best datasets exist for virgin plastic resin production, mechanical recycling, landfilling, and incineration, with materials recovery facility being intermediate, and with chemical recycling the lowest. The second objective of this article is to develop an illustrative application of the framework by conducting a preliminary systems analysis of PET bottles with closed-loop recycling. Here, the preliminary systems analysis of PET bottles utilized a linear programming optimization method. Our optimization model indicated that both chemical and mechanical recycling processes are needed to achieve a true circular economy of PET bottles with the least greenhouse gas emissions, specifically reductions of 24% when compared with the linear economy. Good quality and standardized life cycle assessment and techno-economic analysis studies are needed to better understand the environmental, economic, and social impacts of advanced sorting and chemical recycling technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Algebraic multigrid preconditioning of the Hessian in optimization constrained by a partial differential equation

Summary We construct an algebraic multigrid (AMG) based preconditioner for the reduced Hessian of a linear‐quadratic optimization problem constrained by an elliptic partial differential equation. While the preconditioner generalizes a geometric multigrid preconditioner introduced in earlier works, its construction relies entirely on a standard AMG infrastructure built for solving the forward elliptic equation, thus allowing for it to be implemented using a variety of AMG methods and standard packages. Our analysis establishes a clear connection between the quality of the preconditioner and the AMG method used. The proposed strategy has a broad and robust applicability to problems with unstructured grids, complex geometry, and varying coefficients. The method is implemented using the Hypre package and several numerical examples are presented.

Barker, Andrew T.↗

Depot Charging Schedule Optimization for Medium- and Heavy-Duty Battery-Electric Trucks

Charge management, which lowers charging costs for fleets and prevents straining the electrical grid, is critical to the successful deployment of medium- and heavy-duty battery-electric trucks (MHD BETs). This study introduces an energy demand and cost management framework that optimizes depot charging for MHD BETs by combining an energy consumption machine learning model and a linear program optimization model. The framework considers key factors impacting real-world MHD BET operations, including vehicle and charger configurations, duty cycles, use cases, geographic and climate conditions, operation schedules, and utilities’ time-of-use (TOU) rates and demand charges. The framework was applied to a hypothetical fleet of 100 MHD BETs in California under three different utilities for 365 days, with results compared to unmanaged charging. The optimized charging solution avoided more than 90% of on-peak charging, reduced fleet charging peak load by 64–75%, and lowered fleet energy variable costs by 54–64%. This study concluded that the proposed charge management framework significantly reduces energy costs and peak loads for MHD BET fleets while making recommendations for fleet electrification infrastructure planning and the design of utility TOU rates and demand charges.

Song, Shuhan↗

Direct microstability optimization of stellarator devices

Turbulent transport is regarded as one of the key issues in magnetic confinement nuclear fusion, both for tokamaks and stellarators. Here, in this work, we show that a significant decrease in a microstability-based proxy, as opposed to a geometric one, for the turbulent heat flux, namely the quasilinear heat flux, can be obtained in an efficient manner by coupling stellarator optimization with linear gyrokinetic simulations. This is accomplished by computing the quasilinear heat flux at each step of the optimization process, as well as the deviation from quasisymmetry, and minimizing their sum, leading to a balance between neoclassical and the turbulent transport proxy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Start-up Optimization Considering Integrated Power Electronic Systems

The startup of systems composed of power electronic systems is becoming more complex. As the systems grow, standard pre-configuration sequencing methods will struggle. This work proposes a linear programming optimization method to couple power electronic systems in a series of startup commands. This formulation is demonstrated in a real-time implementation on hardware.

Starke, Michael↗