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At least 271 records · Page 15

The Building Science Advisor: A Web-Based Tool to Assess the Durability of Building Envelope Components

The Department of Energy (DOE) and Oak Ridge National Laboratory (ORNL) have developed an innovative new design tool that will put building science expert advice in the hands of every building designer who cares to manage moisture risk in high-R envelope components. As modern buildings become increasingly more airtight, constructed with modern labor-saving materials, and equipped with air-conditioning, they have become less forgiving to moisture intrusion. The Building Science Advisor (BSA) provides building science knowledge and advice based on expert experience, field measurements, laboratory tests, and computer simulations.BSA users are prompted to enter relevant information about the building location, design, and material selection options like cladding, structural system, and insulation. Influential factors such as climate, building air tightness, material properties, and internal moisture loads are also considered to estimate and compare the moisture durability performance of several design options. If the BSA deems the assembly’s performance unsatisfactory, it will provide the reasons why, and suggest necessary changes to wall design to ensure more robust performance.Using the BSA tool enables building designers to confidently select assembly design characteristics that achieve their design goals with the least moisture durability risk. Links to design-specific guidance are also be provided to help users manage any remaining risk. This tool will further enable DOE’s Building Technologies Office (BTO) to meet its long-term energy goal of a 50% reduction in building energy consumption by reducing builder concern about using highly energy efficient wall systems.

Desjarlais, Andre Omer↗

Nitrogen-doped graphene nanomaterials for electrochemical catalysis/reactions: A review on chemical structures and stability

The electronic structure of the carbon-based nanomaterials can be modulated by doping heteroatoms into them. When nitrogen is doped into the graphene structure with different bonding configurations, it changes the material's electronic properties in a variety of ways. Because of the tuned electronic properties, nitrogen-doped graphene (N-G) is applicable in electrochemical systems as catalyst. Despite having tremendous prospects, a holistic view of the structural and functional properties of N-G is still unclear. Moreover, to our knowledge, significant findings on the properties of N-G are not well documented yet, which creates an obstacle to the further improvement of this nanomaterial. Keeping our focus on the catalytic activities, in this paper, we presented an in-detailed review of the overall chemical structure and functional properties of N-G nanomaterials. Starting from the structural properties of major precursor materials for N-G synthesis, we reviewed the physical features and its dependence on the synthesis parameters. Also, a detailed study has been conducted on the key nitrogen functional groups' structural properties, favorable formation environment, influence on the electronic structure of N-G, and role in the catalytic activity. Finally, current progress on the stability of N-G nanocatalysts is reported with an insight into the degradation mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Theoretical study of production of unique glasses in space

Analytical functional relationships describing homogeneous nucleation and crystallization in various supercooled liquids were developed. The time and temperature dependent relationships of nucleation and crystallization (intrinsic properties) are being used to relate glass forming tendency to extrinsic parameters such as cooling rate through computer simulation. Single oxide systems are being studied initially to aid in developing workable kinetic models and to indicate the primary materials parameters affecting glass formation. The theory and analytical expressions developed for simple systems is then extended to complex oxide systems. A thorough understanding of nucleation and crystallization kinetics of glass forming systems provides a priori knowledge of the ability of a given system to form a glass.

Larsen, D. C.↗

"EGM" (Electrostatics of Granular Matter): A Space Station Experiment to Examine Natural Particulate Systems

A granular-materials experiment is being developed for a 2002 launch for Space Station deployment. The experiment is funded by NASA HQ and managed through NASA Lewis Research Center. The experiment will examine electrostatic aggregation of coarse granular materials with the goals of (a) obtaining proof for an electrostatic dipole model of grain interactions, and (b) obtaining knowledge about the way aggregation affects the behavior of natural particulate masses: (1) in unconfined dispersions (clouds such as nebulae, aeolian dust palls, volcanic plumes), (2) in semi-confined, self-loaded masses as in fluidized flows (pyroclastic surges, avalanches) and compacted regolith, or (3) in semi-confined non-loaded masses as in dust layers adhering to solar cells or space suits on Mars. The experiment addresses both planetary/astrophysical issues as well as practical concerns for human exploration of Mars or other solar system bodies. Additional information is contained in the original.

Marshall, J.↗

Analysis of Cutter Blade Wear in Rotary Shear Mills

Following development of an analytical abrasive wear model to predict wear of components in a rotary shear mill, the team used a finite element analysis (FEA) approach to calculate forces and loads acting on particles responsible for abrasive wear. The analytical model related critical rotary shear process parameters (shear geometry and rotational speed) to critical material attributes of inorganic mineral species in feedstock (density, size, and aspect ratio) and substrate (hardness and elastic modulus) that enabled us to model the wear of shear cutters in a rotary shear milling system developed by Forest Concepts. With proper knowledge of the forces acting between abrasive particles and cutter components built into it, the model can accurately predict wear of the cutters and provides a quality by design (QbD) approach to predict component reliability based on scientific engineering principles in lieu of trial-and-error approaches. During this reporting period, researchers at Oak Ridge National Laboratory applied an FEA package to simulate the local stresses and forces between an abrasive silica particle and two rotary shear cutters as the distance between the cutters decreases. The output of the FEA was used to provide more accurate projections of the loads applied to the particles in the analytical wear model. Comparison of the FEA force calculations are in good agreement with the loads assumed in the analytical predictions.

36 MATERIALS SCIENCE↗

Revolutionizing our Understanding of the Solar System via Sample Return from Mercury

Data from Mariner 10, MESSENGER, and ground-based telescopic observations have facilitated great advancements towards understanding the geochemistry, geology, internal structure, exosphere, and magnetosphere of Mercury. However, there are critical science questions that can be only addressed via examination of a sample in Earth-based laboratories, where numerous highly sensitive analytical measurements are possible. Collecting a sample from the surface of Mercury and bringing it to Earth for in-depth analysis would allow for transformative Solar System science to be conducted, examining aspects of our Solar System such as the evolution of the protoplanetary disk, space weathering on airless bodies, the geochemical behavior of elements at extreme conditions, and the origin and distribution of volatiles across the terrestrial planets. Furthermore, our knowledge of Mercury’s differentiation and geochemical processes, chronology and geologic evolution, tectonism and geomechanical properties, and past and ongoing magnetism would be greatly advanced via analysis of a sample from Mercury. Although there are ample challenges and knowledge gaps associated with sample return from Mercury in terms of both spacecraft requirements and material requirements for curatorial facilities, a sample from the planet would be an invaluable scientific resource for generations to come, enabling the most sophisticated measurements to be brought to bear for decades and helping to truly unlock the mysteries of our Solar System.

Vander Kaaden, Kathleen E.↗

Dynamic measurement of bulk modulus of dielectric materials using a microwave phase shift technique

A microwave Doppler shift technique was developed for measuring the dynamic bulk modulus of dielectric materials such as solid propellants. The system has a demonstrated time resolution on the order of milliseconds and a theoretical spatial resolution of a few microns. Accuracy of the technique is dependent on an accurate knowledge of the wavelength of the microwave in the sample being tested. Such measurement techniques are discussed. Preliminary tests with two solid propellants, one non-aluminized and one containing 16% aluminum, yielded reasonable, reproducible results. It was concluded that with refinements the technique holds promise as a practical means for obtaining accurate dynamic bulk modulus data over a variety of transient conditions.

Barker, B. J.↗

The Composition of Organics and Volatiles in the Interstellar Medium

Tremendous progress has been made in our understanding of the composition of interstellar dust through the combined use of telescopic observations, theoretical models, laboratory studies of analogs, and the analysis of interstellar samples found in meteorites. It is increasingly clear that the interstellar medium (ISM) contains an enormous diversity of materials created by a wide range of chemical and physical processes. This paper reviews some of our current knowledge of the organic and volatile materials thought to exist in the ISM. These compounds supply a significant portion of the material that makes up the interstellar dense molecular clouds from which new stars and planetary systems are formed, and thus represents an important reservoir of material that could play key roles in the formation and evolution of life. This paper will largely focus on solid materials, as opposed to gases, since solids contain a major fraction of the heavier elements in clouds and because solids are most likely to survive incorporation into new planetary systems in identifiable form. The paper concludes with a brief discussion of the astrobiological relevance of some of the compounds now known or suspected to be present in the ISM.

Sandford, Scott A.↗

IER-517: Molybdenum Optimized Benchmark System Demonstrating Integral Correlations (MOBY DICK)

Nuclear criticality experiments are essential to the validation of nuclear data used in simulation software. The quality of nuclear data becomes paramount as simulation software becomes more relied upon for criticality safety studies and designs of nuclear systems. To improve the quality of nuclear data, experimenters can design critical experiments that are sensitive to isotope reaction pairs in materials of interest. The efforts conducted by the Organisation for Economic Co-operation and Development - Nuclear Energy Agency (OECD-NEA) Working Party on Nuclear Criticality Safety (WPNCS) Subgroup 8: Preservation of Expert Knowledge and Judgement Applied to Criticality Benchmarks (SG8) to categorize benchmarks according to their usefulness for nuclear data validation have been of great importance. Based on the OECD studies benchmark experiments included in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook are concisely used by nuclear data evaluators, criticality safety engineers and others to validate nuclear data and simulation results. A lack of benchmarks sensitive to molybdenum in the (ICSBEP), particularly in the intermediate range, was noted by Los Alamos National Laboratory (LANL), the French Institut de Radioprotection et de Sûreté Nucléaire (IRSN), and Y-12 National Security Site prompting them to submit a joint integral experiment request to the Nuclear Criticality Safety Program (NCSP) in 2019. The request included both HEU and Plutonium systems in order to validate differential nuclear data focusing on the intermediate energy range but also includes thermal and fast configurations. This document represents the preliminary design work for a series of molybdenum integral experiments known as Molybdenum Optimized Benchmark System Demonstrating Integral Correlations (MOBY DICK).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Data Science Enabled Enabled Discovery of Superconductors (Final Progress Report)

This Final Technical Report describes efforts by 4 PIs at the University of Florida (Peter Hirschfeld, Richard Hennig, Greg Stewart and James Hamlin), over the period September 2019-August 2023, to use data science and machine learning techniques to discover new conventional superconductors. The PIs constructed a discovery loop with two theorists and two experimentalists to: develop algorithms to machine learn descriptors correlating strongly with the critical temperature Tc (PI's Peter Hirschfeld, UF Physics and Richard Hennig, UF Materials Science and En), synthesize and measure properties of promising materials, and feed back the knowledge gained into the prediction algorithm. This work was motivated by the theoretical prediction and experimental discovery of high-pressure, high-pressure hydride superconductors, and to find ways to recreate the high critical temperatures in these systems at ambient pressure. Highlights from the grant include: 1) a new equation for Tc in terms of moments of the electron-phonon spectral function, improving on the so-called Allen-Dynes equation (1975); 2) study of the metastable A15 superconductor Nb3Si, formed under explosive compression at ~1000GPa to determine the kinetic barrier to the ground state structure; 3) the development of ultra-fast machine-learned atomic potentials for molecular dynamics, and 4) the discovery of superconductivity at 19K in WB2 arising from metastable defect structures in the crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Phosphate Textural Diversity in CI Chondrites and C-Type Asteroids

Introduction: Apatite, Ca 5 (PO 4 ) 3 (CL/F/OH-), is a ubiquitous phosphate found throughout the solar system, including the most primitive solids, CI-chondrites [1,2] and related samples of carbonaceous asteroids Ryugu [3] and Bennu [4], returned by JAXA’s Hayabusa2 and NASA’s OSIRIS-REx missions, respectively. Apatite in these primitive solids is found as individual grains or mineral clusters and has been inferred to form from the hydrothermal sequence during cooling of their respective parent body or bodies. To better understand the formation history and reworking of these early phosphates we have undertaken a highly coordinated study of phosphate microstructures, geochemistry and U/Pb geochronology from a suite of CI meteorites and carbonaceous asteroid samples. These data have identified novel phosphate microstructures and complex relationships across a suite of apatite grains from the early solar system, indicating multiple episodes of growth and modification on the CI parent body(ies). Methods: Samples of CI chondrites, Alais, Ivuna, Orgueil, Oued Chebeika 002, Yamato (Y) 82162, Y980115, Y980134, and two chips of Hayabusa2 Ryugu particles (A0262 and C0263) have been acquired for analysis. The bulk texture of the samples were first scanned by X-ray Computed Tomography (XCT) using the Nikon XT H 320 within the XFACT facility at NASA JSC or the Xradia 620 Versa at the UTCT facility. Based on the identification of petrofabrics or features of interest from the XCT data, samples were chipped, oriented, potted in epoxy and thick sections were prepared. After anhydrously polishing the samples with silicon carbide and dry diamond powder down to 1 µm, the samples were ion polished using a Hitachi ArBlade. Energy dispersive Xray spectrometry (EDS) maps were collected to ID phosphates of interest using a JEOL 7900F SEM. The internal microstructures of identified phosphates were then mapped by electron backscatter diffraction (EBSD) using the JEOL 7900F. Based on the EDS and EBSD data, domains of interest were targeted for quantitative chemical analyses using a JEOL 8530 EPMA. Subsequently, in situ U-Pb and 207 Pb/ 206 Pb ages will be collected using a Cameca ims1290 secondary ion mass spectrometer at UCLA across a range of microstructures. Results: Apatite grains are ubiquitous throughout the CI chondrites and carbonaceous asteroid materials, found as individual grains, disseminated clusters or grain aggregates. Apatite grains are associated with serpentine, magnet-ite, and/or carbonate. Of particular interest, we have identified individual and aggregate polycrystalline grains ex-hibiting an internal ‘honeycomb’ texture (Fig. 1). Some of these grains appear overprinted by subsequent alteration while others remain unaltered. Apatite halogen sites are dominated by the missing component, assumed to be OH, and F, comparable to published values from Bennu, Ryugu and CM-chondrites [3-5]. However, the Yamato CI-like meteorites show a broader range of Cl values, and one grain from Alais is dominated by CL. Summary: Apatite growth features indicate a protracted and complex growth history, consistent with precipitation from an evolving fluid system. The ‘honeycomb’ texture identified in some CI meteorites is, to the best of our knowledge, the first report of such a microstructure in meteoritic phosphate. The microtextures and zoning will guide subsequent age analyses, to better constrain the formation and reworking of phosphate in CI(-like) materials. Acknowledgments: We thank the National Institute of Polar Research, Japan for samples of Y82162, 980115 and 980134 meteorites, ASU’s Buseck Center for Meteorite Studies for samples of Ivuna and Alais meteorites, and JAXA curation for chips of Ryugu material. This work was funded by NASA ROSES LARS grant 24-LARS24-0014. References: [1] Morlok et al., 2016, GCA 70:5371-5394. [2] Alfin g et al., 2019, Geochemistry 79:125532. [3] Nakamura et al. (2022) Science 379:1-15. [4] Seifert et al. (2026) MAPS 61:504-521. [5] Piralla et al. (2021) MAPS 56:809-828.

CI chondrites↗

Buckling of Thin-Walled Circular Cylinders

Recent industry and NASA experience with the development of launch vehicle structures have indicated a need for updated monographs for the design of buckling-critical structures that account for state-of-the-art structural configurations, material systems, and computational tools. This monograph provides an update to NASA SP-8007 (circa 1965, and 1968) and was prepared under the cognizance of the NASA Engineering and Safety Center (NESC). It summarizes all significant knowledge and experience accumulated from the NESC Shell Buckling Knockdown Factor (SBKF) Assessment (NESC Assessment #: 07-010-E) to date for use in the design of buckling-critical thin-walled circular cylinders. The format and terminology used in this monograph is similar to previous versions of NASA SP-8007 for ease of understanding and implementation. In addition, as with the design recommendations contained in the previous versions of NASA SP-8007, this monograph is to be regarded as a guideline to design and not as a NASA requirement, unless specified in formal program requirements. Furthermore, it is expected that the guidelines presented in this monograph will be updated as appropriate. Designers are advised to stay abreast of updates in the state-of-the-art and corresponding design criteria.

Buckling↗

Fundamentals of SrCoO 3-δ Based Oxygen Deficient Perovskites as Cathodes for Solid Oxide Fuel Cells

The local structure and oxygen stoichiometry in oxide systems have a profound impact on oxygen electrocatalysis encountered in metal-air batteries and solid oxide fuel cells (SOFCs). However, this knowledge is often obtained under conditions different from the real working conditions of the material, resulting in misinterpretation and misunderstanding. This PhD dissertation aims to obtain the structure and oxygen-stoichiometry information of a class of perovskite oxides under their real working conditions in solid oxide fuel cells. Several perovskite oxides were selected for the study: Sr 0.9 Y 0.1 CoO 3-δ (SYC10), Sr 0.9 Y 0.3 CoO 3-δ (SYC30), SrCo 0.9 Nb 0.1 O 3-δ (SCN10) and SrCo 0.9 Ta0.1O 3-δ (SCT10). The local crystal structure and oxygen stoichiometry of these materials were systematically characterized with in-situ neutron diffraction (ND). The oxygen stoichiometry was also measured by thermogravimetric analysis (TGA) and iodometric titration methods. To establish the correlation among structure, oxygen stoichiometry and oxygen reduction reaction (ORR) activity, high temperature electrochemical impedance spectroscopy, oxygen permeation and single cell testing were also performed. In chapter 2, SYC10 is described to have a more symmetrical structure and $V_o^{··}$ distribution, and higher $V_o^{··}$ concentration than SYC30. Molecular orbital energy analysis based on the local structure of the ORR-active Co1-polyhedra indicates SYC30 has a higher Fermi level relative to O-2p energy level in the active Co1-polyhedra, and thus a higher motional enthalpy for $V_o^{··}$ migration. However, the ORR activity of Y-doped SrCoO 3-δ (SCO) are found uncompetitive with other popular catalysts. In chapter 3 and 4, systematic structural studies are presented for Nb and Ta-doped SCO, namely SCN10 and SCT10, respectively. The methodology of unrevealing the structure-activity relationships in chapter 2 is also found applicable to SYC10, SCN10 and SCT10 as presented in chapter 5. The electrochemical tests indicate that SCT10 is the best catalyst due to its excellent thermal and electrochemical stability. In chapter 6, SCT10 is evaluated in a real solid oxide fuel cell in the form of nanoscaled SCT10 layer coating on the commercial (La 0.6 Sr 0.4 ) 0.95 Co 0.2 Fe 0.8 O 3-δ (LSCF). The bilayer structured cathode shows excellent properties of coarsening-resistant, Sr-segregation-free and high ORR-activity.

Yang, Tianrang↗

Non-atmospheric noble gases from CO(sub 2) well ga

In recent years a number of studies of both terrestrial and extraterrestrial material has allowed the piecing together of a picture of events occurring in the early solar system (4.5 Gyr ago), including the formation of the earth. However, before this picture can be completed with an appropriate amount of detail it will be necessary to make further advances. One of the areas where knowledge is lacking is the chemical and isotopic composition of the earth as a whole. The lack of knowledge has less to do with the capabilities of modern techniques than with the availability of samples to study. About 99.6 percent of the earth's mass is contained in the mantle and core, leaving less that 1 percent in the crust and atmosphere. Although the crust is derived from the mantle it has undergone extensive changes and it is therefore difficult (although not impossible) to use crustal material to study events occurring 4.5 Gyr ago. More information about the early earth could be obtained from studies of the mantle but it is difficult to obtain mantle material, because the mean thickness of the crust is 17 km, much greater than even the deepest mines or drill shafts. The two types of available mantle samples are discussed.

Caffee, M. W.↗

Neural network based analysis of multimodal bond distributions using extended x-ray absorption fine structure spectra

Knowledge of the local coordination environment around atomic species in functional materials is critical for understanding their mechanisms of operation. Heterogeneous mixtures of metal complexes are ubiquitous in catalysts, ionic liquids, molten salts, biological enzymes, and geochemical systems, among many others. Extracting information from ensemble-average measurements about the structural and compositional descriptors of each type of coordination complex comprising the mixture is not generally possible, especially when they possess multimodal bond-length distributions. Here, we developed a method that enables the mapping of an x-ray absorption spectrum on the radial distribution function describing the average environment of the metal ions. The supervised neural network based method utilizes an objective training set, for which the choice of the local structural motifs is completely agnostic to the theoretically expected structure and dynamics of the modeled system. The method was validated using first-principles modeling of structural dynamics of nickel complexation in molten salts, and it applies to a large class of heterogeneous systems, including those studied under in situ and operando conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using ROS for Robotic Control [Slides]

The use of robots is important, to help prevent people from being exposed to hazardous materials within a glovebox. The research proposal for the summer was to make a pick and place demo for a seven degrees-of-freedom Motoman Sia5d robot. The Robot Operating System (ROS) was used and the knowledge of C++ and Linux had to be applied. The robot was used to pick up and sort four objects (cylinder, sphere, rectangular prism, and cone) within a virtual environment.

42 ENGINEERING↗

Evaluation of the NASA Arc Jet Capabilities to Support Mission Requirements

NASA accomplishes its strategic goals through human and robotic exploration missions. Many of these missions require launching and landing or returning spacecraft with human or return samples through Earth's and other planetary atmospheres. Spacecraft entering an atmosphere are subjected to extreme aerothermal loads. Protecting against these extreme loads is a critical element of spacecraft design. The safety and success of the planned mission is a prime concern for the Agency, and risk mitigation requires the knowledgeable use of thermal protection systems to successfully withstand the high-energy states imposed on the vehicle. Arc jets provide ground-based testing for development and flight validation of re-entry vehicle thermal protection materials and are a critical capability and core competency of NASA. The Agency's primary hypersonic thermal testing capability resides at the Ames Research Center and the Johnson Space Center and was developed and built in the 1960s and 1970s. This capability was critical to the success of Apollo, Shuttle, Pioneer, Galileo, Mars Pathfinder, and Orion. But the capability and the infrastructure are beyond their design lives. The complexes urgently need strategic attention and investment to meet the future needs of the Agency. The Office of Chief Engineer (OCE) chartered the Arc Jet Evaluation Working Group (AJEWG), a team of experienced individuals from across the Nation, to capture perspectives and requirements from the arc jet user community and from the community that operates and maintains this capability and capacity. This report offers the AJEWG's findings and conclusions that are intended to inform the discussion surrounding potential strategic technical and investment strategies. The AJEWG was directed to employ a 30-year Agency-level view so that near-term issues did not cloud the findings and conclusions and did not dominate or limit any of the strategic options.

Calomino, Anthony↗

AMES: MS and MENG in Advanced Manufacturing for Energy at the University of Connecticut (Final Technical Report)

The objective of the project is to develop and implement an advanced degree program (MS and MENG in Advanced Manufacturing for Energy Systems, AMES) responding to the long-term workforce and technology requirements of the nation’s advanced energy products manufacturing industry. The program provided an industry relevant research experience by leveraging existing energy (e.g. fuels, power electronics, electrochemical power sources) and advanced manufacturing (e.g. additive manufacturing, composites, sensing) research at UConn funded by federal and state agencies, and industry, as well as through our industry partnerships. The trainees have joined research teams, advised by faculty with relevant research interests and expertise and were co-advised by industrial mentors. The AMES program have developed a truly interdisciplinary curriculum, first graduate degree program at UConn School (now College) of Engineering not housed in an academic department, with concentrations focusing on various challenges in advanced manufacturing for energy systems, e.g. advanced materials and processing. The project also developed new courses focusing on common technical and professional skills, and integrated various components for an industry relevant training. The program has admitted 29 Master of Science (MS) students since inception in January 2019. Twenty six of these students were AMES fellows, who have received partial funding from DoE through this project. The program far exceeded the goal of admitting at least five new MS (with thesis) students. All students were required to complete a thesis (M.S.) or a capstone (M.Eng.) project that are defined in collaboration with industry partners to ensure industrial relevancy, addressing a current industrial challenges. Industrial mentors also participated in advising the students in their research. AMES fellows, in addition were also required to complete an industrial internship for further industrial experience.

36 MATERIALS SCIENCE↗