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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 73 records · Page 4

Empowering Scientific Innovation Through An Integrated Research Infrastructure: The Role of the Advanced Computing Ecosystem

As the landscape of computational science evolves, the Department of Energy (DOE) is reimagining the roles of its large-scale computing facilities to meet emerging research challenges. The Integrated Research Infrastructure (IRI) program aims to transform how experiments are designed, conducted, and shared, with significant impacts on all stakeholders. In response, the Oak Ridge Leadership Computing Facility (OLCF) has established the Advanced Computing Ecosystem (ACE), a strategic framework to prepare its hardware, software, and experimental capabilities for the IRI era. ACE focuses on integrating novel compute environments, orchestrating advanced workflows, and developing foundational technologies, ensuring a seamless transition to IRI while accelerating scientific discovery. This paper outlines ACE's role in advancing OLCF's mission and its impact on the future of computational science.

Widener, Patrick↗

sCO 2 Brayton Cycle: Roadmap to sCO 2 Power Cycles NE Commercial Applications

The mission of the Energy Conversion (EC) area of the Advanced Reactor Technology (ART) program is to commercialize the sCO 2 Brayton cycle for Advance Reactors and for the Supercritical Transformational Electric Production (STEP) program. The near-term objective of the EC team efforts is to support the development of a commercially scalable Recompression Closed Brayton Cycle (RCBC) to be constructed for the first STEP demonstration system with the lowest risk possible. This document details the status of technology, policy and market considerations, documentation of gaps and needs, and outlines the steps necessary for the successful development and deployment of commercial sCO 2 Brayton Power Systems along the path to nuclear reactor applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Fast Dynamic Internal Predictive Power Scheduling Approach for Power Management in Microgrids: Preprint

This paper presents a Dynamic Internal Predictive Power Scheduling (DIPPS) approach for optimizing power management in microgrids, particularly focusing on external power exchanges among diverse prosumers. DIPPS utilizes a dynamic objective function with a time-varying binary parameter to control the timing of power transfers to the external grid, facilitated by efficient usage of energy storage for surplus renewable power. The microgrid power scheduling problem is modeled as a mixed-integer nonlinear programming (MINLP-PS) and subsequently transformed into a mixed-integer linear programming (MILPPS) optimization through McCormick's relaxation to reduce computational complexity. A predictive window window with 6 data points is solved at an average of 0.92s, a 97.6% improvement over the 38.27s required for the MINLP-PS formulation, implying the numerical feasibility of the DIPPS approach for real-time implementation. Finally, the approach is validated against a static objective using real-world load data across three case studies with different time-varying parameters, demonstrating the ability of DIPPS to optimize power exchanges and efficiently utilize distributed resources while shifting the external power transfers to specified time durations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Accomplishments and Mid-Year Performance Report: Wind Energy Program Fiscal Year 2020

Through transformative science and innovation, the U.S. Department of Energy's (DOE's) National Wind Technology Center (NWTC) at the National Renewable Energy Laboratory's (NREL's) Flatirons Campus helps lead the way to a sustainable energy future that powers America with significant levels of reliable, low-cost, and accessible wind energy. Since 1976, NREL has provided an ideal environment for the research and development (R&D) of advanced energy technologies through: Wind energy resource assessments, World-class research facilities, High-performance computing and modeling, Data and technology analysis, Manufacturing breakthroughs, Environmental analysis and wildlife conservation efforts, Education and training programs for a future workforce. These activities enable the innovations needed to advance U.S. wind systems, address market and deployment barriers, and drive down the cost of wind energy with more efficient, more reliable, and more predictable wind energy systems. This report provides an overview of the achievements NREL delivered on behalf of DOE's Wind Energy Technologies Office (WETO) and other partners during the first and second quarters of Fiscal Year (FY) 2020.

49 EE - Wind and Water Power Program - Wind (EE-4W↗

Linear model decision trees as surrogates in optimization of engineering applications

Machine learning models are promising as surrogates in optimization when replacing difficult to solve equations or black-box type models. This work demonstrates the viability of linear model decision trees as piecewise-linear surrogates in decision-making problems. Linear model decision trees can be represented exactly in mixed-integer linear programming (MILP) and mixed-integer quadratic constrained programming (MIQCP) formulations. Furthermore, they can represent discontinuous functions, bringing advantages over neural networks in some cases. We present several formulations using transformations from Generalized Disjunctive Programming (GDP) formulations and modifications of MILP formulations for gradient boosted decision trees (GBDT). We then compare the computational performance of these different MILP and MIQCP representations in an optimization problem and illustrate their use on engineering applications. Importantly, we observe faster solution times for optimization problems with linear model decision tree surrogates when compared with GBDT surrogates using the Optimization and Machine Learning Toolkit (OMLT).

42 ENGINEERING↗

Low-Loss, High-Flux Saturation Magnetic Cores for Power Converters

As new and alternative energy sources are added to the energy grid, efficient and low-loss power converters are essential to the storage of energy from these intermittent power sources. Higher operating frequency can reduce the size and weight of transformers. However, current magnetic cores limit the operating frequency because core losses increase with frequency. Therefore, new magnetic core materials are needed with higher resistivity (lower eddy-current losses), lower coercivity (lower hysteresis losses), and higher permeability and flux density (higher power density). These new materials must be integrated into isolated power converters designed to optimize efficiency based on the transformer performance. To address this need, Mainstream pursued a two-pronged approach in Phase I to develop novel magnetic materials and model a planar transformer design. We irradiated silicon steel with a high-energy electron beam in an attempt to induce nanocrystalline grain formation. The nanocrystalline grains were expected to increase resistivity to reduce eddy-current losses and decrease coercivity to reduce hysteresis losses. We also modeled the transformer performance through Simulation Program with Integrated Circuit Emphasis (SPICE) and analytical models to establish the effect of magnetic properties of the core on the performance of the transformer. There still are hurdles to be overcome in Phase II. The electron beam processing was successful in increasing the resistivity and the flux saturation density. However, the resistivity is still too low for high-frequency magnetic cores, because the eddy-current losses would be prohibitively high. Additionally, the coercivity increased for the processed samples leading to higher hysteresis losses. In comparing our SPICE and analytical models to the planar transformer measured values and impedance plots, good agreement was seen for primary and secondary short-circuit impedance measurements and for primary-to-secondary capacitance measurements. The SPICE model deviated from measured values, though, when measuring the transformer open-circuit impedance, indicating that we might need to add more model complexity to the transformer model. Phase II research will continue to build on the transformer model and integrating novel magnetic materials into high-frequency transformers.

15 GEOTHERMAL ENERGY↗

Comparative Evaluation of Financing Programs: Insights From California’s Experience

Berkeley Lab examines criteria for a comparative assessment of multiple financing programs for energy efficiency, developed through a statewide public process in California. The state legislature directed the California Alternative Energy and Advanced Transportation Financing Authority (CAEATFA) to develop these criteria. CAEATFA's report to the legislature, an invaluable reference for other jurisdictions considering these topics, discusses the proposed criteria and the rationales behind them in detail. Berkeley Lab's brief focuses on several salient issues that emerged during the criteria development and discussion process. Many of these issues are likely to arise in other states that plan to evaluate the impacts of energy efficiency financing programs, whether for a single program or multiple programs. Issues discussed in the brief include: -The stakeholder process to develop the proposed assessment criteria -Attribution of outcomes - such as energy savings - to financing programs vs. other drivers -Choosing the outcome metric of primary interest: program take-up levels vs. savings -The use of net benefits vs. benefit-cost ratios for cost-effectiveness evaluation -Non-energy factors -Consumer protection factors -Market transformation impacts -Accommodating varying program goals in a multi-program evaluation -Accounting for costs and risks borne by various parties, including taxpayers and utility customers, in cost-effectiveness analysis -How to account for potential synergies among programs in a multi-program evaluation

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Building Envelope Campaign – Program Design and Stakeholder Engagement

Building envelope technologies impact approximately 30% of the primary energy consumed by residential and commercial buildings. The Building Envelope Campaign (BEC), which is part of the Department of Energy’s Better Buildings Program, is a market transformation effort to help building owners and managers invest in high performance building envelope technologies for both new and existing commercial buildings. The success of the Campaign has depended on constructing a compelling program design plus organizing a technical team with ability to effectively recruit Participants and Supporters from across industry and keep them engaged.The design of the campaign included developing a strategy to leverage other technology campaigns within the Better Buildings program, identifying stakeholders (including diverse member groups that may have been underserved by previous technology campaigns), recruiting Supporters and Participants, and providing technical assistance in the form of a campaign-specific Building Envelope Performance tool and metric to help benchmark various building envelope options.Engagement had to overcome three main challenges – securing the Campaign Supporters/Participants, helping participants to use the envelope tool to evaluate project options, and getting those participants to submit successful envelope projects for evaluation and recognition by the program. The concepts are simple but program design/implementation and, in particular, sustaining stakeholder engagement can be challenging. This paper will highlight the approaches taken in: program design, engaging industry members, identifying and reaching underserved stakeholders, demonstrating benefits of high performance building envelope technologies and making the case for engaging in this campaign.

McLeod, Hayley↗

A bistable and reconfigurable molecular system with encodable bonds

Molecular systems with ability to controllably transform between different conformations play pivotal roles in regulating biochemical functions. Here, we report the design of a bistable DNA origami four-way junction (DOJ) molecular system that adopts two distinct stable conformations with controllable reconfigurability by using conformation-controlled base stacking. Exquisite control over DOJ’s conformation and transformation is realized by programming the stacking bonds (quasi–blunt-ends) within the junction to induce prescribed coaxial stacking of neighboring junction arms. A specific DOJ conformation may be achieved by encoding the stacking bonds with binary stacking sequences based on thermodynamic calculations. Dynamic transformations of DOJ between various conformations are achieved by using specific environmental and molecular stimulations to reprogram the stacking codes. This work provides a useful platform for constructing self-assembled DNA nanostructures and nanomachines and insights for future design of artificial molecular systems with increasing complexity and reconfigurability.

60 APPLIED LIFE SCIENCES↗

High Energy Physics Network Requirements Review (Final Report, July-October 2020)

Throughout 2020, ESnet and the Office of High Energy Physics (HEP) of the DOE SC organized an ESnet requirements review of HEP-supported activities. Preparation for this event included identification of key stakeholders: program and facility management, research groups, technology providers, and a number of external observers. These individuals were asked to prepare formal case study documents about their relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Critical roles of Cu(OH)2 in low-temperature moisture-induced degradation of Cu-SAPO-34 SCR catalyst: Correlating reversible and irreversible deactivation

Cu-SAPO-34 selective catalytic reduction (SCR) catalyst deactivates upon exposure to water vapor at temperatures lower than 100 °C, which deteriorates its application prospects. The deactivation under cycled aging-regeneration conditions can be categorized into two stages, namely reversible and irreversible deactivation. Based on SCR reaction tests, and characterizations with diffuse reflection infrared Fourier transform spectroscopy (DRIFTS), NH3 temperature-programmed desorption (NH3-TPD) and H2 temperature-programmed reduction (H2-TPR), it is concluded that the transformation of SCR active isolated Cu(II) ions to Cu(OH)2 is critical to both types of deactivation. Within the frame of reversible deactivation, Cu(OH)2 is converted back to SCR active Cu(II) ions by interacting with Brønsted acid sites during high-temperature regeneration. However, interactions between Cu(OH)2 and hydrolyzed framework Al lead to the formation of CuAl2O4-like species, causing permanent loss of active Cu(II) ions and thus, irreversible deactivation. The authors from Tsinghua University would like to acknowledge the financial support from projects of China Science and Technology Exchange Centre (No. 2016YFE0126600) and the National Key R&D Program of China (No. 2017YFC0211102). YM also acknowledges Tsinghua Scholarship for Overseas Graduate Studies for a visit to the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the US Department of Energy (DOE) under contract DE-AC05-76RL01830. FG is supported by DOE, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office.

Cu-SAPO-34, low-temperature deactivation, reversib↗

Large-Scale Additive Manufacturing of Silicon Carbide with Process Monitoring

This report summarizes new capabilities in additive manufacturing (AM) of large-scale silicon carbide (SiC) components under the Advanced Materials and Manufacturing Technologies (AMMT) program. SiC is a promising material that is being considered for many advanced reactor designs due to its high temperature strength, radiation tolerance, minimal neutron absorption, and oxidation resistance [1-8]. One of the primary limitations to using SiC as an in-core structural material is the inability to fabricate large SiC components with complex geometries. While under the former Transformational Challenge Reactor (TCR) program, ceramic AM systems at the Oak Ridge National Laboratory (ORNL) were limited in the quantity and overall size achievable for producing ceramic AM components. To address this, ORNL has improved its infrastructure for binder jet and chemical vapor infiltration (CVI) processes with cutting-edge equipment coming online in a newly renovated laboratory space capable of producing larger components and higher throughput without compromise on part size. This report details the laboratory renovation progress, focusing specifically on the DesktopMetal (formerly ExOne) X25Pro binder jet, a large scale CVI furnace, and the added functionality of a software tool called Peregrine for quality assurance and control purposes.

36 MATERIALS SCIENCE↗

Evaluation of In-Situ AM Process Monitoring Techniques and Potential for Detecting Process Anomalies and Undesirable Microstructures

The US Department of Energy’s Advanced Materials and Manufacturing Technologies (AMMT) program is pursuing rapid qualification of new materials for fabrication of nuclear relevant components using advanced manufacturing techniques. Particular interest is placed on code-qualifying stainless steel (SS) 316H processed by laser powder bed fusion (LPBF) additive manufacturing. A paradigm that incorporates data from in-situ sensing during the printing, ex-situ characterization, and advanced artificial intelligence–based models was established under the Transformation Challenge Reactor (TCR) program to develop a pedigree for each fabricated component that could be tracked from the feedstock to the component’s release for application. Under the TCR program, the Peregrine software was developed as a tool for incorporating the vast amounts of in-situ and ex-situ characterization data collected; all data stored on a rapidly growing digital platform. The digital platform allows for users to link site-specific process anomalies to the macro- and microstructure. The platform will eventually be able to predict component performance, which will be crucial to qualifying materials and components in risk-averse industries such as those supporting and building nuclear reactors. Current in-situ process monitoring techniques that are already integrated with software like Peregrine are advantageous for identifying process anomalies including powder spatter, component edge swelling, recoating-build interactions, and so on. However, additional data are required to fully predict the resulting microstructures needed for identifying relationships to component performance. The rapid cooling rates observed in LPBF are some of the highest of any bulk manufacturing process, resulting in heterogenous microstructures and typically causing anisotropy in mechanical properties. Moreover, evolved residual thermal stresses are high, which can cause severe defects such as delamination or cracking. Therefore, other in-situ monitoring methods are warranted for exploration to measure and map the thermal history, and potentially the stress state, of each build. This report summarizes different in-situ monitoring strategies proposed for LPBF with a focus on the more developed sensor systems. Novel capabilities for measuring melt pool temperatures are also addressed to better inform modeling efforts.

36 MATERIALS SCIENCE↗

Towards Integrating Synchrotron FTIR Microscopy with Mass Spectrometry at the Berkeley Synchrotron Infrared Structural Biology (BSISB) Program

Synchrotron-radiation-based Fourier transform infrared (SR-FTIR or sFTIR) facilities worldwide are probing both live cells and tissues non-destructively under native-like conditions. From Spectroscopic data such as those acquired through the Berkeley Synchrotron Infrared Structural Biology (BSISB) program, spatially and temporally resolved chemical information of molecular classes are obtained. However, these infrared data lack chemical specificity for precise and accurate species identification. Here, high-resolution mass spectrometry (MS) directly contrasts with these IR data attributes in its ability to provide more specific identification of the full range of molecules at the cost of sample destruction.

59 BASIC BIOLOGICAL SCIENCES↗

Extracting SIMD Parallelism from Recursive Task-Parallel Programs

The pursuit of computational efficiency has led to the proliferation of throughput-oriented hardware, from GPUs to increasingly wide vector units on commodity processors and accelerators. This hardware is designed to efficiently execute data-parallel computations in a vectorized manner. However, many algorithms are more naturally expressed as divide-and-conquer, recursive, task-parallel computations. In the absence of data parallelism, it seems that such algorithms are not well suited to throughput-oriented architectures. This paper presents a set of novel code transformations that expose the data parallelism latent in recursive, task- parallel programs. These transformations facilitate straightforward vectorization of task-parallel programs on commodity hardware. We also present scheduling policies that maintain high utilization of vector resources while limiting space usage. Across several task-parallel benchmarks, we demonstrate both efficient vector resource utilization and substantial speedup on chips using Intel’s SSE4.2 vector units, as well as accelerators using Intel’s AVX512 units. We then show through rigorous sampling that, in practice, our vectorization techniques are effective for a much larger class of programs.

Recursive Programs, task parallelism, vectorizatio↗

CONTIN XPCS : software for inverse transform analysis of X-ray photon correlation spectroscopy dynamics

X-ray photon correlation spectroscopy (XPCS) and dynamic light scattering (DLS) reveal materials dynamics using coherent scattering, with XPCS permitting the investigation of dynamics in a more diverse array of materials than DLS. Heterogeneous dynamics occur in many material systems. The authors' recent work has shown how classic tools employed in the DLS analysis of heterogeneous dynamics can be extended to XPCS, revealing additional information that conventional Kohlrausch exponential fitting obscures. The present work describes the software implementation of inverse transform analysis of XPCS data. This software, called CONTIN XPCS , is an extension of traditional CONTIN analysis and accommodates the various dynamics encountered in equilibrium XPCS measurements.

36 MATERIALS SCIENCE↗

Handbook of Advanced Manufactured Material Properties From TCR Structure Builds at ORNL (FY2019)

There is growing interest in the use of additive manufacturing techniques for the production and deployment of components for nuclear power applications. Specifically, the Transformational Challenge Reactor (TRC) program seeks to demonstrate the application of advanced manufacturing to rapidly develop and deploy a microreactor. As part of the TCR objective, a database on materials performance, such as thermophysical properties and mechanical performance, is required to help inform nuclear reactor designers, operators, and regulators regarding possible material limitations using emerging manufacturing techniques. The following report seeks to collect all available data regarding the material performance of candidate alloys and manufacturing processes pursued within the TCR program at Oak Ridge National Laboratory. At this time, this database focuses only on materials derived within the program and does not extend to additional manufacturing processes, manufacturers, or other advanced materials. Where appropriate, recommendations for applications of the data are provided and current knowledge gaps are identified.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Axially deformed solution of the Skyrme–Hartree–Fock–Bogolyubov equations using the transformed harmonic oscillator basis (III) hfbtho (v3.00): A new version of the program

Here, we describe the new version 3.00 of the code hfbtho that solves the nuclear Hartree–Fock (HF) or Hartree–Fock–Bogolyubov (HFB) problem by using the cylindrical transformed deformed harmonic oscillator basis. In the new version, we have implemented the following features: (i) the full Gogny force in both particle–hole and particle–particle channels, (ii) the calculation of the nuclear collective inertia at the perturbative cranking approximation, (iii) the calculation of fission fragment charge, mass and deformations based on the determination of the neck, (iv) the regularization of zero-range pairing forces, (v) the calculation of localization functions, (vi) a MPI interface for large-scale mass table calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗