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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A multi-length-scale investigation of the applicability of ductility laws for annealed and work-hardened copper

Small-scale mechanical testing provides unique advantages over conventional testing in investigating the mechanical response of nuclear materials. While small-scale testing enables accelerated materials research, it raises the question of comparability to large-scale properties for engineering design considerations. Among different mechanical properties for structural design considerations such as yield and ultimate tensile stress, ductility is of critical importance with respect to structural component health. The effectiveness of using small-scale mechanical testing for probing these mechanical properties is dictated by understanding how the mechanical responses translate from the microscale to the engineering scale. Therefore, a better understanding of size scaling effects via gathering and analysis of experimental data is required to bridge length-scales. Further, this work builds upon previous reports to provide statistical data on how mechanical response changes as the size of the specimens are reduced from conventional sizes. One hundred twenty mesoscale tensile coupons of oxygen-free high thermal conductivity (OFHC) copper in work-hardened and annealed state have been manufactured using micro-wire electrical discharge machining (EDM) and tested under uniaxial tension. The mesoscale specimens have dimensions dictated by pre-selected geometric ratios (i.e., gauge section length over the square root of the cross-section area) with gauge length dimensions of 3 mm (or less) and sub-millimeter gauge widths and thicknesses. The mesoscale responses were compared to bulkscale properties to reveal the effect of specimen size on the mechanical response as a function of grain size and material state for a single phase face-centered cubic metal.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Four-Terminal Electrochemistry: A Back-Gate Controls the Electrochemical Potential of a 2D Working Electrode

We demonstrate that ultrathin semiconductor working electrodes integrated into metal–insulator–semiconductor (MIS) stacks are an enabling platform for understanding non-Faradaic semiconductor electrochemistry. Furthermore, 5 nm thick ZnO electrodes were deposited on 30 nm HfO 2 dielectric on a Pd “gate” electrode. Application of a bias V G between the Pd gate and the ZnO electrode causes electrons to accumulate in the ZnO layer as measured by recording the in-plane sheet conductance. By contacting the top surface of the ZnO layer with the electrolyte in a conventional three-electrode electrochemical cell, we show that the gate voltage V G modulates the electrochemical potential V ZnO of the ZnO film with respect to a reference electrode. Electrochemical potential changes ΔV ZnO up to –1 V vs Ag/Ag + are achieved for V G = +7 V. Furthermore, by measuring V ZnO vs V G , we extract the quantum capacitance CQ of the ZnO film as a function of the Fermi-level position, which provides a direct measure of the ZnO electronic density of states (DOS). Finally, we demonstrate that the gated ZnO working electrodes can disentangle the two principal components of electrochemical potential, namely, the Fermi-level shift Δδ and the double-layer charging energy eΔΦ EDL . This disentanglement hinges on a fundamental difference between back-gating and normal electrochemical control, namely, that electrochemical control requires double-layer charging, while back-gate control does not. Collectively, the results show that the backside gate electrode is an effective fourth terminal that enables measurements that are difficult to achieve in conventional three-terminal electrochemical setups.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Work of Mechanical Degradation in Elongating Polymer Melts

Molecular dynamics simulations are used to study the mechanical degradation of well-entangled polymer melts during uniaxial extensional flow. Simulations measure the transient rise in extensional stresses and relate them to the molecular alignment and scission of chain backbones. Intermolecular entanglements couple chain scission in space and time, making degradation sensitive to deformation history and strain rate in ways not displayed by dilute polymer solutions. The rate of chain scission is nonmonotonic and peaks at strains corresponding to the maximum extensibility of entanglement segments but prior to the full extension of chain backbones. We measure a specific work per scission event w* and decompose it into separate contributions associated with chain alignment, chemical bond breaking, and scission-induced plasticity. We find chain scission in melts requires activating plastic dissipation that is multiple orders of magnitude larger than the chemical work required to break a covalent backbone bond. Our findings underscore the critical need to consider bulk polymer mechanics and rheology in designing efficient mechanical degradation and mechanochemical processes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Operando Elucidation on the Working State of Immobilized Fluorinated Iron Porphyrin for Selective Aqueous Electroreduction of CO 2 to CO

Iron porphyrin-based molecular catalysts can electrocatalyze CO 2 reduction to CO at nearly 100% selectivity in water. Nevertheless, the associated active sites and reaction mechanisms remain debatable, impeding the establishment of design guidelines for effective catalysts. This study reports coupling in operando experiments and theoretical calculations for immobilized 5,10,15,20-tetrakis(pentafluorophenyl) porphyrin Fe(III) chloride (FeF 20 TPP) for electrocatalytic CO 2 reduction in an aqueous phase. In operando UV–vis and X-ray absorption near-edge structure spectra indicated the persisting presence of Fe(II) species during the cathodic reaction, acting as catalytic sites that accommodate CO as Fe(II)–CO adducts. Consistently, the density functional calculations pointed out that the ligand-reduced state with oxidized Fe, namely, [Fe(II)F 20 (TPP • )] - , prevails in the catalytic cycle prior to the rate-controlling step. This work provides the conclusive representation related to the working states of Fe-based molecular catalysts under reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Strain-stabilized interfacial polarization tunes work function over 1 eV in RuO 2 /TiO 2 heterostructures

Interfacial polarization – charge accumulation at the heterointerface – is a well-established tool in semiconductors, but its influence in metals remains unexplored. Here, we demonstrate that interfacial polarization can robustly modulate surface work function in metallic rutile RuO 2 layers in epitaxial RuO 2 /TiO 2 heterostructures grown by hybrid molecular beam epitaxy. Using multislice electron ptychography, we directly visualize polar displacements of transition metal ions relative to oxygen octahedra near the interface, despite the conductive nature of RuO 2 . This interfacial polarization enables over 1 eV modulation of the RuO 2 work function, controlled by small thickness variations (2-3 nm), as measured by Kelvin probe force microscopy, with a critical thickness of ~4 nm – corresponding to the transition from fully-strained to relaxed film. These results establish interfacial polarization as a powerful route to control electronic properties in metals and have implications for designing tunable electronic, catalytic, and quantum devices through interfacial control in polar metallic systems.

Electronic properties and materials↗
DOE OSTI2023

Soviet influences on Kenneth Wilson’s renormalization group work

Here, Kenneth Wilson worked on the renormalization group during the Cold War, when communication between scientists in the Soviet Union and in the West was restricted.Nevertheless, Soviet physicists had a strong influence on Wilson’s work.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Overview of the OECD-NEA Working Party on International Nuclear Data Evaluation Cooperation (WPEC)

The OECD Nuclear Energy Agency (NEA) Working Party on International Nuclear Data Evaluation Cooperation (WPEC) was established in 1989 to facilitate collaboration in nuclear data activities. Over its thirty year history, different Subgroups have been created to address topics in nearly every aspect of nuclear data, including: experimental measurements, evaluation, validation, model development, quality assurance of databases and the development of software tools. WPEC has recently completed activities on fission yield evaluation, the general nuclear database structure (GNDS) to replace the ENDF-6 format, methods to provide feedback to evaluation, studies of specific capture cross sections, new methods in thermal scattering kernel evaluation and the Collaborative International Evaluated Library Organisation (CIELO) Pilot Project. Ongoing activities in GNDS application programming interface (API) development, methods for covariance evaluation and quality assurance in nuclear data validation using the International Criticality Safety Benchmark Evaluation Project (ICSBEP) database are complemented by the work of two Expert Groups that oversee the High-Priority Request List (HPRL) for Nuclear Data and the continuous development of the GNDS. New activities on the use of integral experiments for nuclear data validation and adjustment, as well as the use of the Shielding Integral Benchmark Archive and Database (SINBAD) for validation have begun and will be coordinated alongside future Subgroups. After three decades we will review the status of WPEC, how it integrates other collections and activities organised by the NEA and how it dovetails with the initiatives of the IAEA and other bodies to effectively coordinate international activities in nuclear data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Measurement of the work statistics of an open quantum system using a quantum computer

Abstract We report on the experimental measurement of the work statistics of a genuinely open quantum system using a quantum computer. Such measurement has remained elusive thus far due to the inherent difficulty in measuring the total energy change of a system-bath compound (which is the work) in the open quantum system scenario. We overcome this difficulty by applying the interferometric scheme, originally conceived for closed systems, to the open system case and implement it on a superconducting quantum computer, taking advantage of the relatively high levels of noise on current quantum hardware to realize an open quantum system. We demonstrate that the method can be used as a diagnostic tool to probe physical properties of the system-bath compound, such as its temperature and specific transition frequencies in its spectrum. Our experiments corroborate that the interferometric scheme is a promising tool to achieve the long-sought experimental validation of the Jarzynski equality for arbitrary open quantum systems.

Oftelie, Lindsay Bassman (ORCID:0000000335421553)↗
DOE OSTI2022

Model-Free Measurement of Local Entropy Production and Extractable Work in Active Matter

Time-reversal symmetry breaking and entropy production are universal features of nonequilibrium phenomena. Despite its importance in the physics of active and living systems, the entropy production of systems with many degrees of freedom has remained of little practical significance because the high dimensionality of their state space makes it difficult to measure. Here, in this work, we introduce a local measure of entropy production and a numerical protocol to estimate it. We establish a connection between the entropy production and extractability of work in a given region of the system and show how this quantity depends crucially on the degrees of freedom being tracked. We validate our approach in theory, simulation, and experiments by considering systems of active Brownian particles undergoing motility-induced phase separation, as well as active Brownian particles and E.coli in a rectifying device in which the time-reversal asymmetry of the particle dynamics couples to spatial asymmetry to reveal its effects on a macroscopic scale.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

The AUREX cell: a versatile operando electrochemical cell for studying catalytic materials using X-ray diffraction, total scattering and X-ray absorption spectroscopy under working conditions

Understanding the structure–property relationship in electrocatalysts under working conditions is crucial for the rational design of novel and improved catalytic materials. This paper presents the Aarhus University reactor for electrochemical studies using X-rays (AUREX) operando electrocatalytic flow cell, designed as an easy-to-use versatile setup with a minimal background contribution and a uniform flow field to limit concentration polarization and handle gas formation. The cell has been employed to measure operando total scattering, diffraction and absorption spectroscopy as well as simultaneous combinations thereof on a commercial silver electrocatalyst for proof of concept. This combination of operando techniques allows for monitoring of the short-, medium- and long-range structure under working conditions, including an applied potential, liquid electrolyte and local reaction environment. The structural transformations of the Ag electrocatalyst are monitored with non-negative matrix factorization, linear combination analysis, the Pearson correlation coefficient matrix, and refinements in both real and reciprocal space. Upon application of an oxidative potential in an Ar-saturated aqueous 0.1 M KHCO 3 /K 2 CO 3 electrolyte, the face-centered cubic (f.c.c.) Ag gradually transforms first to a trigonal Ag 2 CO 3 phase, followed by the formation of a monoclinic Ag 2 CO 3 phase. A reducing potential immediately reverts the structure to the Ag (f.c.c.) phase. Following the electrochemical-reaction-induced phase transitions is of fundamental interest and necessary for understanding and improving the stability of electrocatalysts, and the operando cell proves a versatile setup for probing this. In addition, it is demonstrated that, when studying electrochemical reactions, a high energy or short exposure time is needed to circumvent beam-induced effects.

Frank, Sara (ORCID:0000000163218363)↗
DOE OSTI2025

Evaluation of Maximum Allowable Working Pressure and Svensson Burst Pressure Recommended in API 579-1 2021 Edition

Abstract API 579-1/ASME FFS-1 2021 Edition provides the minimum wall thickness, the maximum allowable working pressure (MAWP), and the membrane stress equations for thin and thick-walled cylindrical shells subject to internal pressure in Section 2C.3.3.1 of Appendix 2C – Thickness, MAWP, and Stress Equations for an FFS Assessment. The minimum wall thickness and MAWP are determined using the hoop stress and the Tresca yield criterion. Section 2C.7 – Estimation of Burst Pressure newly added the Svensson method for calculating burst pressure of cylindrical shells under internal pressure, where the plastic yielding is characterized by the von Mises yield criterion. For thin-walled cylinders, the von Mises flow solution of burst pressure in Equation (2C.179) was recommended. For thick-walled cylinders, an implicit burst pressure solution in an integral equation (2C.176) was recommended. But this integral equation is inconvenient to use in practice. It is well known that the classic plasticity theory includes the Tresca and von Mises yield criteria, with the Tresca criterion predicting a lower bound solution and the von Mises criteria predicting an upper bound solution. In addition, the present author developed an average shear stress yield criterion that can determine more accurate limit and burst pressures for thin and thick-walled cylinders. This work uses these three yield criteria to evaluate the minimum required wall thickness, MAWP and Svensson burst pressure recommended in the API 579 code.

burst pressure↗
DOE OSTI2024

Visualization at exascale: Making it all work with VTK-m

The VTK-m software library enables scientific visualization on exascale-class supercomputers. Exascale machines are particularly challenging for software development in part because they use GPU accelerators to provide the vast majority of their computational throughput. Algorithmic designs for GPUs and GPU-centric computing often deviate from those that worked well on previous generations of high-performance computers that relied on traditional CPUs. Fortunately, VTK-m provides scientific visualization algorithms for GPUs and other accelerators. VTK-m also provides a framework that simplifies the implementation of new algorithms and adds a porting layer to work across multiple processor types. This paper describes the main challenges encountered when making scientific visualization available at exascale. Here, we document the surprises and obstacles faced when moving from pre-exascale platforms to the final exascale designs and the performance on those systems including scaling studies on Frontier, an exascale machine with over 37,000 AMD GPUs. We also report on the integration of VTK-m with other exascale software technologies. Finally, we show how VTK-m helps scientific discovery for applications such as fusion and particle acceleration that leverage an exascale supercomputer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

MAGNETIC FLUX EXPULSION IN SUPERCONDUCTING RADIO-FREQUENCY NIOBIUM CAVITIES MADE FROM COLD WORKED NIOBIUM

Trapped residual magnetic field during the cool down of superconducting radio frequency (SRF) cavities is one of the primary sources of RF residual losses leading to lower quality factor. Historically, SRF cavities have been fabricated from high purity fine grain niobium with grain size ~50 to 100 µm as well as large grain with grain size of the order of few centimeters. Non-uniform recrystallization of fine-grain Nb cavities after the post fabrication heat treatment leads to higher flux trapping during the cool down, and hence the lower quality factor. We fabricated two 1.3 GHz single cell cavities from cold-worked niobium from different vendors and processed along with cavities made from SRF grade Nb. The flux expulsion and flux trapping sensitivity were measured after successive heat treatments in the range 800 to 1000°C. The flux expulsion from cold-worked fine-grain Nb cavities improves after 800°C/3h heat treatments and it becomes similar to that of standard fine-grain Nb cavities when the heat treatment temperature is higher than 900°C.

Khanal, B. D.↗
DOE OSTI2023

Microstructure development in a cold worked SRF Nb sheet undergoing 700°C-900°C/3h heat treatments.

Bulk Nb for TESLA shaped SRF cavities is a mature technology, with high gradient (>35 MV/m) and high Q cavities (>1010, ~2K) routinely fabricated. Significant advances are in order to push Q?s to 1011 (~2K), and involve modifications to the sub-surface Nb layers by impurity doping (N, O). In order to achieve the lowest surface resistance any trapped flux needs to be expelled for cavities to reach high Q?s. There is clear evidence that cavities fabricated from polycrystalline sheets meeting current specifications require higher temperatures beyond 800oC leads to better flux expulsion, and hence improves Q. Recently, cavities fabricated with a non-traditional Nb sheet with initial cold work due to cold rolling expelled flux better after 800°C/3h heat treatment than cavities fabricated using fine-grain polycrystalline Nb sheets. Here, we analyze the microstructure development in Nb from the vendor supplied cold work non-annealed sheet that was fabricated into an SRF cavity as a function of heat treatment building upon the methodology development to analyze microstructure being developed by the FSU-MSU-UT-Austin- JLAB collaboration. The results indicate correlation between full recrystallization and better flux expulsion.

Balachandran, S.↗
DOE OSTI2021

Betty Perkins: A giant in nuclear weapons research Reports amassed after testing ban are vital to today’s work

Today’s nuclear weapons research builds upon the work of the past, often on the shoulders of the giants of nuclear document preservation in the absence of testing. One of these giants is weapons historian Betty Perkins. Before her retirement in 2016, Perkins held numerous roles at LANL, but she is best known for her pioneering work in the Weapons Program where she generated classified reports on nuclear weapons design and development. Over many years, she meticulously researched and recorded the histories of a number of critical efforts in Los Alamos’s nuclear weapons program, culminating in 13 reports comprising more than 7,200 pages.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

GAIN FY 2021 Walk-in Work (Summary Report)

Walk-in work (WIW) is defined as work that can benefit the nuclear industry and associated stakeholders. Throughout a fiscal year (FY), WIW projects are identified and evaluated by the Gateway for Accelerated Innovation in Nuclear (GAIN) team. Based on funding availability and industry need, the GAIN team determines whether to fund a WIW project and informs the Department of Energy Office of Nuclear Energy (DOE-NE) of these decisions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Record of Treatment for Concrete Preservation Work at TA-6-0037 Concrete Bowl, TA-08 Gun Site, TA-16-0518 Stem Wall, and TA-18 Battleship Bunkers (Historic Buildings Report)

This completion report documents concrete preservation work that occurred in Fiscal Years 2019 and 2020. Work took place at four sites (Technical Areas [TAs] -06, -08, -16, and -18) that hold Manhattan Project–era significance. Seven buildings and structures were included in the project scope, with concentrated assessments and treatment plans accomplished before the start of preservation activities. The attended buildings and structures represent eligible or included Manhattan Project National Historical Park resources. The stabilization of original fabric and the retention of integrity and significance remained paramount throughout all phases of this project.

42 ENGINEERING↗
DOE OSTI2022

IRSN Work in Support of NCSP: FY2021 and Plan for Future [Slides]

IRSN and NCSP collaboration has been very fruitful. Despite challenges presented by COVID-19, work has been performed regularly and successfully by video conference. This includes monthly basis meeting with LLNL and LANL and specifics meetings with ORNL and SNL when needed. After two years without any IRSN participation to experiments, ISRN is looking forward to fully participating in the three proposed integral experiments scheduled in 2022. IRSN is working on several new projects including TEX-MOX and TEX-low temperatures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗