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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

The development of 3D physical program with integrated control rod calculation for HTR - 18525

The accurate calculation of the control rod worth in pebble bed high temperature gas cooled reactor(HTR) requires special treatment, because the control rod system of HTR is located outside the active zone. The current version VSOP did not calculate the control rod value directly, but use a compromise method called the Equivalent Boron Concentration (EBC). To obtain the value of the control rod with higher precision directly, this paper embedded the discontinuity factor (DF) corrected diffusion calculation into the original procedure of the VSOP. The computational procedure to obtain the DF on the side of the absorber region was optimized. While an appropriate coupling method has been developed to take into account the neutron leakage feedback, data transform and so on. The new program can achieve accurate control rod calculation and more realistic 3D power distribution during the physical calculation. The numerical results demonstrated the correctness of the new program preliminarily. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Modeling Bilevel Programs in Pyomo

We describe new capabilities for modeling bilevel programs within the Pyomo modeling software. These capabilities include new modeling components that represent subproblems, modeling transformations for re-expressing models with bilevel structure in other forms, and optimize bilevel programs with meta-solvers that apply transformations and then perform op- timization on the resulting model. We illustrate the breadth of Pyomo's modeling capabilities for bilevel programs, and we describe how Pyomo's meta-solvers can perform local and global optimization of bilevel programs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Numerical simulation of temperature field, microstructure evolution and mechanical properties of HSS during hot stamping

The hot stamping of boron steels is widely used to produce ultra high strength automobile components without any spring back. The ultra high strength of final products is attributed to the fully martensitic microstructure that is obtained through the simultaneous forming and quenching of the hot blanks after austenization. In the present study, a mathematical model incorporating both heat transfer and the transformation of austenite is presented. A FORTRAN program based on finite element technique has been developed which permits the temperature distribution and microstructure evolution of high strength steel during hot stamping process. Two empirical diffusion-dependent transformation models under isothermal conditions were employed respectively, and the prediction capability on mechanical properties of the models were compared with the hot stamping experiment of an automobile B-pillar part.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Industry Scan of Non-SF6 Gas-Insulated Technologies

Sulfur Hexafluoride (SF 6 ) is a specialty gas with excellent electrical insulation properties which has been used extensively in the power industry. This gas is unfortunately also one of the most potent greenhouse gases known to humanity. A 2014 report by the Intergovernmental Panel on Climate Change found that SF 6 has a global warming potential (GWP) 23,000 times higher than Carbon Dioxide, and has the highest GWP of all gases assessed (Myhre 2013). SF 6 is almost exclusively man-made and is produced for use as an insulator in high voltage electrical equipment. This makes the production and use of SF 6 one of the leading sources of anthropogenic climate change. Since SF 6 recognition as a significant contributor to climate change, most governments and organizations have sought ways to reduce or eliminate their use of this gas. Many utilities have initiated leak monitoring and repair programs which have significantly reduced emissions of this gas into the atmosphere. While leak reduction programs have been effective at reducing emission rates in the developed world, leak rates remain frozen at ~1% annually. However, one of the largest and fastest growing markets for this gas is in the developing world where emissions standards are often lacking (P&S Intelligence. 2023). To fully eliminate the environmental impacts of SF 6 , alternative technology is needed. The ideal replacement would be a technology that can fulfil the same role as SF 6 , at the same cost or cheaper, but without adverse environmental effects. Currently, no technology fits this description, however several promising technologies have begun to enter the market. This report was commissioned by the United States Department of Energy’s Office of Electricity under the Transformer Resilience and Advanced Components (TRAC) program to assess the state of industry adoption and manufacturing capability for SF 6 -free alternative technologies for use at the high-voltage level, and the primary barriers to broader adoption. While this report is tailored to the United States, the findings should be relevant to all stakeholders seeking to reduce SF 6 emissions.

24 - POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Effects-Based Monitoring of Geomagnetically-Induced Current Using a Convolutional Neural Network

Geomagnetically-induced current (GIC) due to space weather can flow in the power grid causing undesirable effects such as transformer overheating, misoperation of protection devices, and potential blackouts. It is therefore important to monitor GIC in the power grid to improve online situational awareness and decision-making of system operators during a geomagnetic disturbance. To avoid the costly installation of GIC monitors at transformers’ neutrals, it is desirable to find correlations between GIC and already-monitored parameters. Hence, this work proposed the use of a convolutional neural network (CNN) to compute GIC amplitudes from learned patterns in the time-series data of transformer even harmonic currents. Using an electromagnetic transient program, GIC injection simulations were performed for a modeled Dominion Energy Virginia (DEV) substation with two 504 MVA, 500/230 kV transformers. Data collected from these offline simulations were used to train the CNN to provide online GIC monitoring. Testing the CNN performance involved using real GIC measurements from published literature and from a physical GIC monitor in the DEV area. Finally, the results showed that the proposed method was able to provide GIC readings with a root mean squared error of 1.56 A/phase (equivalent to an average accuracy of 94%) for these real GIC waveforms.

42 ENGINEERING↗
DOE OSTI2022

Williston Basin Carbon Ore, Rare Earth, and Critical Minerals (CORE-CM) Program

The U.S. Department of Energy’s Office of Fossil Energy awarded 13 CORE-CM programs as part of the CORE-CM Initiative, designed to develop the technology and upstream and midstream supply chains to extract rare-earth elements (REEs) and critical minerals (CMs) from the nation’s coal supplies. The intent is to catalyze regional economic growth and job creation while strengthening the use of domestic resources. The Williston Basin CORE-CM Program aims to drive the expansion and transformation of coal and coal-based resource usage within the Williston Basin to produce REEs, CMs, and nonfuel carbon-based products (CBPs). The work constitutes Phase 1 of a long-term program. The objectives of Phase 1 are to identify the existing knowledge base and gaps and to develop a series of assessments/plans, including an initial basinal assessment; a characterization and data acquisition plan; a waste stream reuse plan; a basinal strategies assessment for infrastructure, industries, and business; a technology assessment, development, and field testing plan; a technology innovation center plan(s); and a stakeholder outreach and education plan. The goal of this project is to initiate the development of a new industry in the resource-rich Williston Basin that will catalyze economic growth and job creation through a coalition team of private industry, university, and state, local, and federal government entities. A coalition team of nearly 30 private industry, university, and state, local, and federal government partners was formed for this program. Partners include the University of North Dakota Energy & Environmental Research Center, Institute for Energy Studies, and Nistler College; North Dakota State University; Montana Tech University; Pacific Northwest National Laboratory; Critical Materials Institute; North Dakota Geological Survey; South Dakota Geological Survey; U.S. Geological Survey; North American Coal Corporation; BNI Energy; Basin Electric Power Cooperative; Minnkota Power Cooperative; and many more.

Kay, John P.↗
DOE OSTI2023

Williston Basin Carbon Ore, Rare Earth, and Critical Minerals (CORE-CM) Program

The U.S. Department of Energy’s (DOE’s) Office of Fossil Energy awarded 13 Carbon Ore, Rare-Earth and Critical Minerals (CORE-CM) programs as part of the CORE-CM Initiative, designed to develop the technology and upstream and midstream supply chains to extract rare-earth elements (REEs) and CMs from the nation’s coal supplies. The intent is to catalyze regional economic growth and job creation while strengthening the use of domestic resources. The Williston Basin CORE-CM Program aims to drive the expansion and transformation of coal and coal-based resource usage within the Williston Basin to produce REEs, CMs, and nonfuel carbon-based products (CBPs). The work constitutes Phase 1 of a long-term program. The objectives of Phase 1 are to identify the existing knowledge base and gaps and to develop a series of assessments/plans, including an initial basinal assessment; a characterization and data acquisition plan; a waste stream reuse plan; a basinal strategies assessment for infrastructure, industries, and business; a technology assessment, development, and field-testing plan; a technology innovation center plan(s); and a stakeholder outreach and education plan. Originally, the CORE-CM programs were to do little if any sample collection as part of the Phase 1 program. As part of the ongoing interactions with DOE regarding the progress of the 13 CORE-CM programs, DOE has decided to extend Phase 1 with additional funding to allow all of the Phase 1 CORE-CM programs to collect and characterize more samples that have potential to be sources of REEs and CMs. The goal of this project is to initiate the development of a new industry in the resource-rich Williston Basin that will generate economic growth and job creation through a coalition team of private industry; university; and state, local, and federal government entities. A coalition team of nearly 30 private industry; university; and state, local, and federal government partners was formed for this program. Partners include the University of North Dakota Energy & Environmental Research Center, Institute for Energy Studies, and Nistler College; North Dakota State University; Montana Tech University; Pacific Northwest National Laboratory; Critical Materials Institute; North Dakota Geological Survey; South Dakota Geological Survey; U.S. Geological Survey; North American Coal Corporation; BNI Energy; Basin Electric Power Cooperative; Minnkota Power Cooperative; and many more.

Kay, John P.↗
DOE OSTI2015

ON THE FORMATION AND ISOMER SPECIFIC DETECTION OF PROPENAL (C{sub 2}H{sub 3}CHO) AND CYCLOPROPANONE (c-C{sub 3}H{sub 4}O) IN INTERSTELLAR MODEL ICES—A COMBINED FTIR AND REFLECTRON TIME-OF-FLIGHT MASS SPECTROSCOPIC STUDY

The formation routes of two structural isomers—propenal (C{sub 2}H{sub 3}CHO) and cyclopropanone (c-C{sub 3}H{sub 4}O)—were investigated experimentally by exposing ices of astrophysical interest to energetic electrons at 5.5 K thus mimicking the interaction of ionizing radiation with interstellar ices in cold molecular clouds. The radiation-induced processing of these ices was monitored online and in situ via Fourier Transform Infrared spectroscopy and via temperature programmed desorption exploiting highly sensitive reflectron time-of-flight mass spectrometry coupled with single photon ionization in the post irradiation phase. To selectively probe which isomer(s) is/are formed, the photoionization experiments were conducted with 10.49 and 9.60 eV photons. Our studies provided compelling evidence on the formation of both isomers—propenal (C{sub 2}H{sub 3}CHO) and cyclopropanone (c-C{sub 3}H{sub 4}O)—in ethylene (C{sub 2}H{sub 4})—carbon monoxide (CO) ices forming propenal and cyclopropanone at a ratio of (4.5 ± 0.9):1. Based on the extracted reaction pathways, the cyclopropanone molecule can be classified as a tracer of a low temperature non-equilibrium chemistry within interstellar ices involving most likely excited triplet states, whereas propenal can be formed at ultralow temperatures, but also during the annealing phase via non-equilibrium as well as thermal chemistry (radical recombination). Since propenal has been detected in the interstellar medium and our laboratory experiments demonstrate that both isomers originated from identical precursor molecules our study predicts that the hitherto elusive second isomer—cyclopropanone—should also be observable toward those astronomical sources such as Sgr B2(N) in which propenal has been detected.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Distinct water activation on polar/non-polar facets of ZnO nanoparticles

ZnO nanoparticles with differing dominant facets were prepared and characterized by a complimentary of techniques such as X-ray diffraction, electron microscopy, temperature programmed desorption of H2O, and Fourier transform infrared spectroscopy analysis of adsorbed D2O. For the first time, water interaction/activation is compared on ZnO polar and non-polar facets. We report that non-polar facets exhibit high activity in water activation, which favors reactions such as ketonization and steam reforming in which dissociated water is involved. The distinct water dissociation on ZnO non-polar facets could be related to its facile formation of oxygen vacancies under realistic reaction conditions.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2018

Performing fully parallel constraint logic programming on a quantum annealer

A quantum annealer exploits quantum effects to solve a particular type of optimization problem. The advantage of this specialized hardware is that it effectively considers all possible solutions in parallel, thereby potentially outperforming classical computing systems. However, despite quantum annealers having recently become commercially available, there are relatively few high-level programming models that target these devices. In this article, we show how to compile a subset of Prolog enhanced with support for constraint logic programming into a two-local Ising-model Hamiltonian suitable for execution on a quantum annealer. In particular, we describe the series of transformations one can apply to convert constraint logic programs expressed in Prolog into an executable form that bears virtually no resemblance to a classical machine model yet that evaluates the specified constraints in a fully parallel manner. We evaluate our efforts on a 1,095-qubit D-Wave 2X quantum annealer and describe the approach's associated capabilities and shortcomings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Synthesis of Supported Pd 0 Nanoparticles from a Single-Site Pd 2+ Surface Complex by Alkene Reduction

Here, a surface metal–organic complex, (-AlO x )Pd(acac) (acac = acetylacetonate), is prepared by chemically grafting the precursor Pd(acac) 2 onto γ-Al 2 O 3 in toluene at 25 °C. The resulting surface complex is characterized by inductively coupled plasma atomic emission spectroscopy (ICP-AES), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and dynamic nuclear polarization surface-enhanced solid-state nuclear magnetic resonance spectroscopy (DNP SENS). This surface complex is a precursor in the direct synthesis of size-controlled Pd nanoparticles under mild reductive conditions and in the absence of additional stabilizers or pretreatments. Indeed, upon exposure to gaseous ethylene or liquid 1-octene at 25 °C, the Pd 2+ species is reduced to form Pd 0 nanoparticles with a mean diameter of 4.3 ± 0.6 nm, as determined by scanning transmission electron microscopy (STEM). These nanoparticles are catalytically relevant using the aerobic 1-phenylethanol oxidation as a probe reaction, with rates comparable to a conventional Pd/Al 2 O 3 catalyst but without an induction period. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temperature-programmed reaction mass spectrometry (TPR-MS) reveal that the surface complex reduction with ethylene coproduces H 2 , acetylene, and 1,3-butadiene. This process reasonably proceeds via an olefin activation/coordination/insertion pathway, followed by β-hydride elimination to generate free Pd 0 . Lastly, the well-defined nature of the single-site supported Pd 2+ precursor provides direct mechanistic insights into this unusual and likely general reductive process.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors

SHP2 is a nonreceptor protein tyrosine phosphatase within the mitogen-activated protein kinase (MAPK) pathway controlling cell growth, differentiation, and oncogenic transformation. SHP2 also participates in the programed cell death pathway (PD-1/PD-L1) governing immune surveillance. Small-molecule inhibition of SHP2 has been widely investigated, including in our previous reports describing SHP099 (2), which binds to a tunnel-like allosteric binding site. To broaden our approach to allosteric inhibition of SHP2, we conducted additional hit finding, evaluation, and structure-based scaffold morphing. These studies, reported here in the first of two papers, led to the identification of multiple 5,6-fused bicyclic scaffolds that bind to the same allosteric tunnel as 2. We demonstrate the structural diversity permitted by the tunnel pharmacophore and culminated in the identification of pyrazolopyrimidinones (e.g., SHP389, 1) that modulate MAPK signaling in vivo. These studies also served as the basis for further scaffold morphing and optimization, detailed in the following manuscript.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Final Technical Report Grant No. DE-FG02-97ER45653 Lance E. De Long, Principal Investigator, University of Kentucky Period of Performance: 09/01/97 to 05/14/15

Prior to 1997, the PI had studied the unusual upper critical magnetic field phase boundaries of several novel or exotic types of superconductors, including charge density wave materials such as NbSe 2 , organic superconductors such as κ-(ET) 2 Cu[N(CN) 2 ]Br, high-temperature oxide superconductors such as (Ba,K)BiO 3 and the cuprates, heavy fermion superconductors such as U 6 Fe, UBe 13 , URu 2 Si 2 and UPt 3 , and re-entrant Kondo alloys such as (La,Ce)Al 2 and ferromagnetic superconductors such as ErRh 4 B 4 . Most of these materials exhibited marked positive or negative curvature of H C2 (T) which could not be explained by traditional pair-breaking models. It became clear that many of these materials had very short coherence lengths that made quantized vortices highly mobile (depinned) near the phase boundary, and the fundamental, equilibrium H C2 (T) difficult to measure using finite field or current drives. These problems made the underlying physics obscure, and led to erroneous interpretations of experimental data in terms of models of exotic superconducting pairing mechanisms. Around 1995, these issues led the PI to take advantage of modern electron beam lithography techniques for patterning superconducting and ferromagnetic thin films on the nanoscale. Primarily due to strong magnetic shape anisotropy effects, EBL patterning has led to enhanced control of the spatial distribution and dynamics of topological defects such as domain walls and magnetic vortices, which can create serious energy dissipation and other limitations for modern devices. Moreover, finite size and interface effects also strongly alter phase transition temperatures and phase boundaries of superconducting and magnetic films, as well as introduce barriers to equilibration, enhanced fluctuations and alter magnetic relaxation. Geometrical frustration and spin ice behavior can also be systematically controlled in patterned film media. Film patterning thus provides an excellent tool for conducting highly-controlled, fundamental studies of cooperative phases and interactions in artificially structured condensed matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A Tool for Performing Link Analysis, Operational Sequence Analysis, and Workload Analysis to Support Nuclear Power Plant Control Room Modernization

Nuclear power continues to have an imperative role for the U.S.’s electricity generation. However, for these nuclear power plants (NPPs) to remain economically viable, new strategies for reducing operations and maintenance costs must be explored. The U.S. Department of Energy Light Water Reactor Sustainability Program is researching how to digitally transform existing analog and hybrid main control rooms into a fully integrated control room that addresses this challenge. The transformation will fundamentally change the conduct of operations for these U.S. NPPs. Human factors engineering has a vital role in this effort, where traditional task analysis methods are important in informing the design of advanced human-system interface displays. This work describes a preliminary tool to support task analysis for the development of these advanced displays. Details on the use of this tool, including the specific task analysis methods offered, are presented in this paper.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

Programming temporal shapeshifting

Shapeshifting enables a wide range of engineering and biomedical applications, but until now transformations have required external triggers. This prerequisite limits viability in closed or inert systems and puts forward the challenge of developing materials with intrinsically encoded shape evolution. Herein we demonstrate programmable shape-memory materials that perform a sequence of encoded actuations under constant environment conditions without using an external trigger. We employ dual network hydrogels: in the first network, covalent crosslinks are introduced for elastic energy storage, and in the second one, temporary hydrogen-bonds regulate the energy release rate. Through strain-induced and time-dependent reorganization of the reversible hydrogen-bonds, this dual network allows for encoding both the rate and pathway of shape transformations on timescales from seconds to hours. In conclusion, this generic mechanism for programming trigger-free shapeshifting opens new ways to design autonomous actuators, drug-release systems and active implants.

42 ENGINEERING↗
DOE OSTI2021

GPU-accelerated multitiered iterative phasing algorithm for fluctuation X-ray scattering

The multitiered iterative phasing (MTIP) algorithm is used to determine the biological structures of macromolecules from fluctuation scattering data. It is an iterative algorithm that reconstructs the electron density of the sample by matching the computed fluctuation X-ray scattering data to the external observations, and by simultaneously enforcing constraints in real and Fourier space. This paper presents the first ever MTIP algorithm acceleration efforts on contemporary graphics processing units (GPUs). The Compute Unified Device Architecture (CUDA) programming model is used to accelerate the MTIP algorithm on NVIDIA GPUs. The computational performance of the CUDA-based MTIP algorithm implementation outperforms the CPU-based version by an order of magnitude. Furthermore, the Heterogeneous-Compute Interface for Portability (HIP) runtime APIs are used to demonstrate portability by accelerating the MTIP algorithm across NVIDIA and AMD GPUs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Modeling and Validation of Irradiation Damage in Ni-based Alloys for Long-Term LWR Applications (Final Report)

As light water reactor (LWR) plant lives are extended, the need for predictive modeling tools for materials degradation increase in order to ensure safe operation and plan for component replacements. The Grizzly code, which is built on the MOOSE multi-physics simulation environment, is being developed for exactly this purpose. To extend Grizzly to include capabilities for modeling Ni-based alloys, we propose a US/UK integrated program to address thermal and irradiation-induced transformations mechanisms of Alloys 690 and 625. Alloy 690 is widely used in existing LWR plants due to its superior stress corrosion cracking (SCC) resistance compared to Alloy 600. Alloy 625 is used in more limited applications but offers the benefits of both high strength (in the aged condition) and corrosion/SCC resistance. Research has shown that both alloys can undergo phase changes due to thermal or irradiation exposure. In the precipitation-hardened condition, Alloy 625 “softens” during neutron irradiation as the strengthening precipitates decompose and metastable precipitates form. However, the nature and rates of these transformations as a function of exposure conditions are not well understood. Similarly, the effects of these thermal and irradiation-induced microstructural changes on mechanical properties require evaluation. The proposed program combines thermal and irradiation experiments, mechanical testing, microstructural characterization using state-of-the art analytical techniques, atomistic modeling, micro-and macro-scale modeling via Grizzly. This multi-pronged approach yields several benefits: 1) atomistic scale models capture the physics of the mechanisms of phase transformations, which can be generalized to other systems, 2) the modeling results (from atomistic to continuum) will be validated experimentally to ensure the predictive aspect, 3) the microstructure/property relationships captured with mechanical testing provides information at the engineering scale that is needed to validate the integration of the proposed new capability into Grizzly

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Advanced Research Projects Agency-Energy Annual Report for FY2013

This report presents a summary of the activities of the Advanced Research Projects Agency-Energy (ARPA-E) during Fiscal Year 2013 (FY2013). In FY2013, ARPA-E issued funding solicitations and selected projects for three new programs covering a broad array of energy technologies, including: $36 million to develop transformational energy storage technologies for electric vehicles; $32 million to develop cost-effective, energy-efficient manufacturing techniques for processing and recycling lightweight metals; and $34 million to develop transformational biological technologies to convert natural gas to liquids for transportation fuels. ARPA-E announced two additional funding opportunities in FY2013 with project selections that were ultimately announced in FY2014. These programs include $27 million to develop next-generation power switching devices that improve energy efficiency in a wide range of applications – including new lighting technologies, computer power supplies, industrial motor drives, and automobiles – and $30 million to advance solar energy beyond current photovoltaic (PV) and concentrated solar power (CSP) technologies. Altogether, technologies funded through these five programs have the potential to transform the way we generate, use, and store energy. In September 2013, ARPA-E also began utilizing Innovative Development in Energy-Related Applied Science (OPEN IDEAS), a rolling open solicitation that will allow ARPA-E to quickly support innovative applied energy research that has the potential to lead to new focused programs. In addition to these new programs, ARPA-E hosted the fourth annual Energy Innovation Summit from February 25-27, 2013. The Summit brought together leaders from academia, government, and business to discuss the foremost energy issues, showcase the latest technology innovations, and cultivate relationships to help advance cutting-edge technologies to market. The event drew over 2,200 attendees from 49 states and 26 countries and featured over 150 speakers and keynote addresses. At the Summit, ARPA-E recognized several preliminary indicators of likely project success, including that 17 projects had attracted over $450 million in private sector follow-on funding after ARPA-E's initial investment of approximately $70 million. Finally, ARPA-E continued to focus on providing awardees with practical training and critical business information as part of the Agency's Technology-to-Market program. This support equips projects with a clear understanding of market needs to guide technical development and help projects succeed.

Martin, C.↗