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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Computer-controlled finishing via dynamically constraint position-velocity-time scheduler

In a Computer Numerical Controlled (CNC) finishing process, the target material removal from an optical surface is guided by the convolution between the influence function of a machine tool and its dwell time at certain points over the surface. To reduce dynamics stressing and increase machining efficiency, the dwell time must be converted to varying velocities, which are the actual inputs to the machine tool controller. Conventionally, the conversion assumed constant acceleration and relied on linear motion interpolation, which caused discontinuities in velocities. This unsmooth motion affects the material removal distribution, and, thus, the accuracy of the finished surface shape. Many modern CNC machines support the smoother, cubic-polynomial interpolated Position-Velocity-Time (PVT) motion mode; however, the conventional scheduler may fail to provide suitable velocities for the PVT. Here in this study answers this challenge by proposing a novel PVT-based velocity scheduler that achieves smooth motion while considering CNC dynamic limits. Firstly, the principle of the PVT is explained, and the PVT-based velocity scheduler is formulated. Secondly, a quadratic programming is used to optimize the velocities by imposing the CNC dynamic constraints and the C 1 continuities (zeroth and first derivatives are continuous) simultaneously. Thirdly, the smoothness and accuracy of the scheduled velocities are studied on different kinds of tool paths via simulation. Finally, a sub-0.3 nm level surface finishing experiment using ion beam figuring is demonstrated to verify the feasibility of the proposed method. The PVT-based scheduler and simulator code is open-sourced.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Generation of feasible integer solutions on a massively parallel computer using the feasibility pump

Here, we present an approach to parallelize generation of feasible mixed integer solutions of mixed integerlinear programs in distributed memory high performance computing environments. This approachcombines a parallel framework with feasibility pump (FP) as the rounding heuristic. It runs multiple FPinstances with different starting solutions concurrently, while allowing them to share information. Ourcomputational results suggest that the improvement resulting from parallelization using our approach is statistically significant.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Autonomous sputter synthesis of thin film nitrides with composition controlled by Bayesian optimization of optical plasma emission

Autonomous experimentation has emerged as an efficient approach to accelerate the pace of material discovery. Although instruments for autonomous synthesis have become popular in molecular and polymer science, solution processing of hybrid materials, and nanoparticles, examples of autonomous tools for physical vapor deposition are scarce yet important for the semiconductor industry. Here, we report the design and implementation of an autonomous workflow for sputter deposition of thin films with controlled composition, leveraging a highly automated sputtering reactor custom-controlled by Python, optical emission spectroscopy (OES), and a Bayesian optimization algorithm. We modeled film composition, measured by x-ray fluorescence, as a linear function of plasma emission lines monitored during co-sputtering from elemental Zn and Ti targets in an N 2 and Ar atmosphere. A Bayesian control algorithm, informed by OES, navigates the space of sputtering power to fabricate films with user-defined compositions by minimizing the absolute error between desired and measured optical emission signals. We validated our approach by autonomously fabricating Zn x Ti 1-x N y films that deviate from the targeted cation composition by a relative ±3.5%, even for 15 nm thin films, demonstrating that the proposed approach can reliably synthesize thin films with a specific composition and minimal human interference. Moreover, the proposed method can be extended to more difficult synthesis experiments where plasma intensity lines depend non-linearly on pressure, or the elemental sticking coefficients strongly depend on the substrate temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Two-Stage Adaptive Restoration Decision Support System for a Self-Healing Power Grid

Power outages cost American industries and businesses billions of dollars and jeopardize the lives of hospital patients. The losses can be greatly reduced with a fast, reliable, and flexible self-healing tool. This paper is aimed to tackle the challenging task of developing an adaptive restoration decision support system (RDSS). The proposed RDSS determines restoration actions both in planning and real-time phases and adapts to constantly changing system conditions. The comprehensive formulation encompasses practical constraints including ac power flow, dynamic reserve, and load modeling. Here, the combinatorial problem is decomposed into a two-stage formulation solved by an integer L-shaped algorithm. The two stages are then executed online in the RDSS framework employing a sliding window method. The IEEE 39-bus system has been studied under normal and contingency conditions to demonstrate the effectiveness and efficiency of the proposed online RDSS.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Capacity Adequacy and Revenue Sufficiency in Electricity Markets With Wind Power

We present a computationally efficient mixed-integer program (MIP) that determines optimal generator expansion decisions, as well as periodic unit commitment and dispatch. The model is applied to analyze the impact of increasing wind power capacity on the optimal generation mix and the profitability of thermal generators. In a case study, we find that increasing wind penetration reduces energy prices while the prices for operating reserves increase. Moreover, scarcity pricing for operating reserves through reserve shortfall penalties significantly impacts the prices and profitability of thermal generators. Without scarcity pricing, no thermal units are profitable, however scarcity pricing can ensure profitability for peaking units at high wind penetration levels. Capacity payments can also ensure profitability, but the payments required for baseload units to break even increase with the amount of wind power. The results indicate that baseload units are most likely to experience revenue sufficiency problems when wind penetration increases and new baseload units are only developed when natural gas prices are high and wind penetration is low.

capacity adequacy↗
DOE OSTI2016

Ensuring Profitability of Energy Storage

Energy storage (ES) is a pivotal technology for dealing with the challenges caused by the integration of renewable energy sources. It is expected that a decrease in the capital cost of storage will eventually spur the deployment of large amounts of ES. These devices will provide transmission services, such as spatiotemporal energy arbitrage, i.e., storing surplus energy from intermittent renewable sources for later use by loads while reducing the congestion in the transmission network. This paper proposes a bilevel program that determines the optimal location and size of storage devices to perform this spatiotemporal energy arbitrage. This method aims to simultaneously reduce the system-wide operating cost and the cost of investments in ES while ensuring that merchant storage devices collect sufficient profits to fully recover their investment cost. Finally, the usefulness of the proposed method is illustrated using a representative case study of the ISO New England system with a prospective wind generation portfolio.

25 ENERGY STORAGE↗
DOE OSTI2021

Convex Optimization of Integrated Power-Gas Energy Flow Model With Applications to Probabilistic Energy Flow

Energy flow calculation is a fundamental problem of the integrated power and gas system (IPGS) operation and planning. However, the nonlinear gas flow model introduces major challenges to the energy flow calculation. In this paper, we propose a tractably convex optimization model to solve the energy flow problem in IPGSs. It is demonstrated that the proposed optimization model has the same optimal solution as the original nonlinear steady energy flow model. Also, piecewise linearization is adopted to tightly linearize the nonlinear objective function of the model, which transforms the formulated convex optimization into a linear program one. Thus, the computation complexity of the proposed energy flow model is significantly reduced as compared with the existing methods. In addition, the proposed model can be extended to probabilistic energy flow estimation. Extensive case studies are conducted to validate the effectiveness of the proposed energy flow model using three IPGSs.

42 ENGINEERING↗
DOE OSTI2020

A Scalable and Distributed Algorithm for Managing Residential Demand Response Programs using Alternating Direction Method of Multipliers (ADMM)

For effective engagement of residential demand-side resources and to ensure efficient operation of distribution networks, we must overcome the challenges of controlling and coordinating residential components and devices at scale. To overcome this challenge, we present a distributed and scalable algorithm with a three-level hierarchical information exchange architecture for managing the residential demand response programs. First, a centralized optimization model is formulated to maximize community social welfare. Then, this centralized model is solved in a distributed manner with alternating direction method of multipliers (ADMM) by decomposing the original problem to utility-level and house-level problems. The information exchange between the different layers is limited to the primary residual (i.e., supply-demand mismatch), Lagrangian multipliers, and the total load of each house to protect each customer’s privacy. Simulation studies are performed on the IEEE 33 bus test system with 605 residential customers. The results demonstrate that the proposed approach can save customers’ electricity bills and reduce the peak load at the utility level without much affecting customers’ comfort and privacy. Finally, a quantitative comparison of the distributed and centralized algorithms shows the scalability advantage of the proposed ADMM-based approach, and it gives benchmarking results with achievable value for future research works.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Optimal Multistage Algorithm for Adjoint Computation

We reexamine the work of Stumm and Walther on multistage algorithms for adjoint computation. We provide an optimal algorithm for this problem when there are two levels of checkpoints, in memory and on disk. Previously, optimal algorithms for adjoint computations were known only for a single level of checkpoints with no writing and reading costs; a well-known example is the binomial checkpointing algorithm of Griewank and Walther. Stumm and Walther extended that binomial checkpointing algorithm to the case of two levels of checkpoints, but they did not provide any optimality results. We bridge the gap by designing the first optimal algorithm in this context. We experimentally compare our optimal algorithm with that of Stumm and Walther to assess the difference in performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

ProgressiveHedging.jl

Implementation of the Progressive Hedging algorithm written in Julia utilizing JuMP. This is used to solve multistage optimization problems (e.g. Stochastic programs or capacity expansion models). The user uses the StructJuMP extension of JuMP to create the model and build up the scenario tree.

Sigler, Devon↗
DOE OSTI2021

High-throughput virtual laboratory for drug discovery using massive datasets

Time-to-solution for structure-based screening of massive chemical databases for COVID-19 drug discovery has been decreased by an order of magnitude, and a virtual laboratory has been deployed at scale on up to 27,612 GPUs on the Summit supercomputer, allowing an average molecular docking of 19,028 compounds per second. Over one billion compounds were docked to two SARS-CoV-2 protein structures with full optimization of ligand position and 20 poses per docking, each in under 24 hours. GPU acceleration and high-throughput optimizations of the docking program produced 350× mean speedup over the CPU version (50× speedup per node). GPU acceleration of both feature calculation for machine-learning based scoring and distributed database queries reduced processing of the 2.4 TB output by orders of magnitude. The resulting 50× speedup for the full pipeline reduces an initial 43 day runtime to 21 hours per protein for providing high-scoring compounds to experimental collaborators for validation assays.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Simulator for an Accelerator-Driven Subcritical Fissile Solution System

LANL has developed a process to generate a progressive family of system models for a fissile solution system. This family includes a dynamic system simulation comprised of coupled nonlinear differential equations describing the time evolution of the system. Neutron kinetics, radiolytic gas generation and transport, and core thermal hydraulics are included in the DSS. Extensions to explicit operation of cooling loops and radiolytic gas handling are embedded in these systems as is a stability model. The DSS may then be converted to an implementation in Visual Studio to provide a design team the ability to rapidly estimate system performance impacts from a variety of design decisions. This provides a method to assist in optimization of the system design. Once design has been generated in some detail the C++ version of the system model may then be implemented in a LabVIEW user interface to evaluate operator controls and instrumentation and operator recognition and response to off-normal events. Taken as a set of system models the DSS, Visual Studio, and LabVIEW progression provides a comprehensive set of design support tools.

42 ENGINEERING↗
DOE OSTI2015

Controlling Subsurface Fractures and Fluid Flow: A Basic Research Agenda

From beneath the surface of the earth, we currently obtain about 80-percent of the energy our nation consumes each year. In the future we have the potential to generate billions of watts of electrical power from clean, green, geothermal energy sources. Our planet’s subsurface can also serve as a reservoir for storing energy produced from intermittent sources such as wind and solar, and it could provide safe, long-term storage of excess carbon dioxide, energy waste products and other hazardous materials. However, it is impossible to underestimate the complexities of the subsurface world. These complexities challenge our ability to acquire the scientific knowledge needed for the efficient and safe exploitation of its resources. To more effectively harness subsurface resources while mitigating the impacts of developing and using these resources, the U.S. Department of Energy established SubTER – the Subsurface Technology and Engineering RD&D Crosscut team. This DOE multi-office team engaged scientists and engineers from the national laboratories to assess and make recommendations for improving energy-related subsurface engineering. The SubTER team produced a plan with the overall objective of “adaptive control of subsurface fractures and fluid flow.”This plan revolved around four core technological pillars—Intelligent Wellbore Systems that sustain the integrity of the wellbore environment; Subsurface Stress and Induced Seismicity programs that guide and optimize sustainable energy strategies while reducing the risks associated with subsurface injections; Permeability Manipulation studies that improve methods of enhancing, impeding and eliminating fluid flow; and New Subsurface Signals that transform our ability to see into and characterize subsurface systems. The SubTER team developed an extensive R&D plan for advancing technologies within these four core pillars and also identified several areas where new technologies would require additional basic research. In response, the Office of Science, through its Office of Basic Energy Science (BES), convened a roundtable consisting of 15 national lab, university and industry geoscience experts to brainstorm basic research areas that underpin the SubTER goals but are currently underrepresented in the BES research portfolio. Held in Germantown, Maryland on May 22, 2015, the round-table participants developed a basic research agenda that is detailed in this report. Highlights include the following: -A grand challenge calling for advanced imaging of stress and geological processes to help understand how stresses and chemical substances are distributed in the subsurface—knowledge that is critical to all aspects of subsurface engineering; -A priority research direction aimed at achieving control of fluid flow through fractured media; -A priority research direction aimed at better understanding how mechanical and geochemical perturbations to subsurface rock systems are coupled through fluid and mineral interactions; -A priority research direction aimed at studying the structure, permeability, reactivity and other properties of nanoporous rocks, like shale, which have become critical energy materials and exhibit important hallmarks of mesoscale materials; -A cross-cutting theme that would accelerate development of advanced computational methods to describe heterogeneous time-dependent geologic systems that could, among other potential benefits, provide new and vastly improved models of hydraulic fracturing and its environmental impacts; -A cross-cutting theme that would lead to the creation of “geo-architected materials” with controlled repeatable heterogeneity and structure that can be tested under a variety of thermal, hydraulic, chemical and mechanical conditions relevant to subsurface systems; -A cross-cutting theme calling for new laboratory studies on both natural and geo-architected subsurface materials that deploy advanced high-resolution 3D imaging and chemical analysis methods to determine the ;rates and mechanisms of fluid-rock processes, and to test predictive models of such phenomena. Many of the key energy challenges of the future demand a greater understanding of the subsurface world in all of its complexity. This greater under- standing will improve the ability to control and manipulate the subsurface world in ways that will benefit both the economy and the environment. This report provides specific basic research pathways to address some of the most fundamental issues of energy-related subsurface engineering.

15 GEOTHERMAL ENERGY↗
DOE OSTI2017

Final Cooling for a Muon Collider

To explore the new energy frontier, a new generation of particle accelerators is needed. Muon colliders are a promising alternative, if muon cooling can be made to work. Muons are 200 times heavier than electrons, so they produce less synchrotron radiation, and they behave like point particles. However, they have a short lifetime of 2.2 $\mathrm{\mu s}$ and the beam is more difficult to cool than an electron beam. The Muon Accelerator Program (MAP) was created to develop concepts and technologies required by a muon collider. An important effort has been made in the program to design and optimize a muon beam cooling system. The goal is to achieve the small beam emittance required by a muon collider. This work explores a final ionization cooling system using magnetic quadrupole lattices with a low enough $\beta^{\star} $ region to cool the beam to the required limit with available low Z absorbers.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Technology Implementation Plan: Irradiation Testing and Qualification for Nuclear Thermal Propulsion Fuel

This document is a notional technology implementation plan (TIP) for the development, testing, and qualification of a prototypic fuel element to support design and construction of a nuclear thermal propulsion (NTP) engine, specifically its pre-flight ground test. This TIP outlines a generic methodology for the progression from non-nuclear out-of-pile (OOP) testing through nuclear in-pile (IP) testing, at operational temperatures, flows, and specific powers, of an NTP fuel element in an existing test reactor. Subsequent post-irradiation examination (PIE) will occur in existing radiological facilities. Further, the methodology is intended to be nonspecific with respect to fuel types and irradiation or examination facilities. The goals of OOP and IP testing are to provide confidence in the operational performance of fuel system concepts and provide data to program leadership for system optimization and fuel down-selection. The test methodology, parameters, collected data, and analytical results from OOP, IP, and PIE will be documented for reference by the NTP operator and the appropriate regulatory and oversight authorities. Final full-scale integrated testing would be performed separately by the reactor operator as part of the preflight ground test.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗