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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

From Serendipity to Exploration: Synthesis and Properties of PtSiSb

PtSiSb is a compound with covalent Si–Sb bonds, which are relatively rare instances in solid-state materials. The original report on PtSiSb indicates synthetic challenges for the isolation of single-phase samples, as well as potential discrepancies in the predicted electronic structure and experimental transport properties. In this work, we considered PtSiSb as a case study with the objective of demonstrating the importance of synthesis as a bridge between theoretical predictions and experimental properties. Using guidance from in situ powder X-ray diffraction, the synthesis of single-phase polycrystalline samples was developed, allowing further experimental characterization of transport and catalytic properties. Thermal conductivity and heat capacity demonstrated anomalous behavior, indicating an unconventional phonon scattering mechanism in PtSiSb. Charge transport measurements indicated semimetallic behavior. Hydrogen evolution reaction (HER) tests in acidic electrolyte revealed that the PtSiSb cathode needs an overpotential η 10 = 120 mV to achieve a current density j = −10 mA/cm 2 . This is lower activity than elemental Pt but comparable to known and active transition-metal phosphide HER catalysts, such as CoP, with η 10 = 93 mV when measured at identical conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Performance Evaluation of AG-1 FC HEPA Filters and Medium in Nuclear Complex Facilities - 20434

High Efficiency Particulate Air (HEPA) filters are credited as the final barrier against the release of radioactive aerosol contamination in nearly every operating U. S. Department of Energy (DOE) and National Nuclear Security Agency (NNSA) nuclear facility. The Institute for Clean Energy Technology (ICET) at Mississippi State University maintains a research program that studies various aspects of these components of containment systems and seeks to answer key questions from across the industry. This programmatic overview will include results from recent and ongoing studies, including a study on filter design and performance envelope, degradation due to aging or fatigue, fire event impact on HEPA filters, and accelerated aging of medium and component parts. ICET has completed a study helping to define the threshold for combined elevated temperature and relative humidity resistance of separator style and separator-less style HEPA filters that are used in DOE complexes. The study provides experimental data that considers elevated temperature, elevated relative humidity (RH), and target differential pressure (dP) in an attempt to gain a better understanding or more comprehensive insight into the operating envelope of different configurations of ASME (American Society for Mechanical Engineers) AG-1 Section FC filters. Test variables including air temperature ranges of 48.88 deg. C, 54.44 deg. C, or 60 deg. C (120, 130, or 140 deg. F); air RH ranges including 60-70%, 80%, or 90+% with initial filter dP of either 497.68 Pa, 746.52 Pa, or 995.36 Pa (2 inches water column (in. w. c.), 3 in. w. c., or 4 in. w. c.) included for full bracketing of each set of conditions. A study examining the effects of aging and fatigue on nuclear grade HEPA filters and medium elucidates the physical properties of media along with testing of new and aged ASME AG-1 HEPA filters. In addition to performing autopsies of the tested, aged filters to help better understand the service life of their performance, newly designed accelerated aging chambers allow new medium to undergo accelerated aging and exposure treatments. Evaluation of degradation in physical properties and functionality requires a high population of aged filters of different ages, designs, manufacturers, and operational histories. The limited availability of this population and the impropriety of looking solely at formulations and components from past years requires experimental design that will provide foresight into future filter performance. This undertaking therefore involves not only properties analysis of aged medium from different operational histories, ages, designs, and manufacturers, but also prescience in analytical goals via accelerated aging studies of newly manufactured media. A more complete understanding of the mechanisms of degradation from past formulations as well as current and future formulations is possible. Accelerated Aging of newly manufactured media utilizes exposure treatments based on the Arrhenius equation to artificially age medium and therefore glimpse into the future. Evaluation of current media properties This testing allows for the comparison of performance and durability of new filters under upset or design basis conditions with aged filters that were in service under ambient conditions and other aged filters retained in storage. Susceptibility of HEPA filters to the effects of combustion byproducts, heat, and water is also being studied in an attempt to gain understanding on the prevention of filter failures during fire events in nuclear facilities. ICET seeks to determine the effect of filter performance due to smoke loading using characterized smoke from variable fuel compositions, geometries, and loads; the smoke capacity of various filters with different burning conditions, heat release rates and transport, as well as mass transport from the air stream will be studied in low flow containment systems. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Intrinsically stretchable electrode array enabled in vivo electrophysiological mapping of atrial fibrillation at cellular resolution

Electrophysiological mapping of chronic atrial fibrillation (AF) at high throughput and high resolution is critical for understanding its underlying mechanism and guiding definitive treatment such as cardiac ablation, but current electrophysiological tools are limited by either low spatial resolution or electromechanical uncoupling of the beating heart. To overcome this limitation, here we introduce a scalable method for fabricating a tissue-like, high-density, fully elastic electrode (elastrode) array capable of achieving real-time, stable, cellular level-resolution electrophysiological mapping in vivo. Testing with acute rabbit and porcine models, the device is proven to have robust and intimate tissue coupling while maintaining its chemical, mechanical, and electrical properties during the cardiac cycle. The elastrode array records epicardial atrial signals with comparable efficacy to currently available endocardial-mapping techniques but with 2 times higher atrial-to-ventricular signal ratio and >100 times higher spatial resolution and can reliably identify electrical local heterogeneity within an area of simultaneously identified rotor-like electrical patterns in a porcine model of chronic AF.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Design of an Integrated Solids Handling System to Maximize Syngas Process Reliability (Cooperative Research and Development Final Report)

The National Renewable Energy Laboratory (NREL), in partnership with Wonderful Renewable Energy (WRE) and Idaho National Laboratory (INL), plans to develop a general methodology for designing integrated biorefinery solids preprocessing, handling, and feeding systems based on the chemical, physical, and mechanical attributes of the starting biomass material. This attribute-driven approach will include detailed feedstock property measurements, iterative computational modeling, and bench-scale testing to design systems for preprocessing, handling, and reactor in-feed, up to and including the selection of the conversion reactor. The initial tests and system design will be conducted using waste material from almond and pistachio growing and production operations (shells, hulls, and wood), targeting the conversion of this material to syngas for electricity production. The methodology will then be generalized to other feedstocks. The purpose of this project is to design an integrated solids handling system to maximize the process reliability of converting almond and pistachio waste to electricity. The design methodology and workflow developed from this example will then be applied to the Feedstock Conversion Interface Consortium (FCIC) benchmark loblolly pine residues, thus demonstrating the robustness of the overall design approach and providing insight and guidance for future conversion systems. V-Grid Energy Systems was brought on as a subcontractor to provide gasifiers and labor to complete gasifier runs.

09 BIOMASS FUELS↗
DOE OSTI2022

Extracting single fiber transverse and shear moduli from off-axis misalignment fiber tensile testing

Small diameter (<100 μm) fibers (e.g. carbon fibers, Kevlar, and fiberglass) and wires (e.g. ultrafine copper and aluminum wires) are frequently used in many different engineering applications, such as for light weighting structures, electromagnetic shielding for aircraft/infrastructure/EVs, vibration damping, biological sensors, aerospace electrical devices, and electric windings just to name a few. Due to the manufacturing process, the fibers and wires are pulled and stretched to produce a preferential alignment. Therefore, thin fibers and wires typically display different properties along the length of the fiber as opposed to their cross section and many fibers/wires are considered transversely isotropic. The axial properties of fibers/wires can be ascertained via tensile testing of single-filaments or fiber tows, but the radial properties require much more effort to measure. Knowing these properties is important for the accurate prediction of micromechanical models and manipulation of fibers during micromanufacturing. In this paper, a new technique was developed to determine the transverse/shear moduli and strength of a material by conducting tensile tests of the material at increasing misalignment angles from the tensile axis. Due to the transversely isotropic nature of the material, the transverse/shear moduli and strength influence the experimental results recorded by the test machine to different degrees based on the amount of misalignment in the test setup. An equation was derived to determine the influence of each of the material properties based on the misalignment angle by manipulating the stiffness matrix for transversely isotropic materials using the transformation matrices. Then, curve fitted coefficients were used to identify the material properties. Here, the strengths were similarly determined by curve fitting an off-axis Tsai-Hill failure criteria to determine the influence of transverse, shear, and tensile strengths based on the complex loading condition provided by the off-axis tensile test. Zoltek Panex 35 carbon fibers were used to demonstrate this new technique and the determined properties were then compared to those obtained from nanoindentation and from literature. Fracture surfaces provide insight into the different failure mechanisms at various misalignment angles.

36 MATERIALS SCIENCE↗
DOE OSTI2024

2023 SRNL Aging and Lifetimes Report: Tritium Aging of Welded and Additively Manufactured Austenitic Stainless Steels

This report documents work performed in fiscal year 2023 at Savannah River National Laboratory (SRNL) collaborating with Sandia National Laboratories in support of the Aging and Lifetimes program. This work supports Gas Transfer Systems (GTS) design by measuring the mechanical behavior of structural materials used in GTS. Data on properties in relevant conditions are crucial for GTS lifetime assessments and predictions. To simulate relevant conditions, SRNL, in concert with the Savannah River Site, thermally pre-charges test specimens with tritium and stores them at -80°C to allow the tritium decay product, helium-3, to build up while limiting tritium diffusion. According to test plans based on how much helium-3 has accumulated, specimens are removed from storage and tested. Results from mechanical testing provide an empirical basis for GTS design as well as insight to how these structural materials degrade in a tritium environment.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Understanding Microstructure Variability in Vapor-Deposited Energetic Materials by Using Phase-Field Methods

Critical components, such as detonators, in Sandia's stockpile contain heterogeneous materials whose performance and reliability depend on accurate, predictive models of coupled, complex phenomena to predict their synthesis, processing, and operation. Ongoing research in energetic materials has shown that microstructural properties, such as density, pore-size, morphology, and specific surface area are correlated to their initiation threshold and detonation behavior. However, experiments to study these specific characteristics of energetic materials are challenging and time consuming. Therefore, in this work, we turn to mesoscale modeling methods that may be capable of reproducing some observed phenomena to refine and predict outcomes beforehand. Even so, we have no physics-based modeling capability to predict how the microstructure of an energetic material will evolve over near- and long-term time scales. Thus, the goal of this work is to (i) identify any knowledge gaps in how the underlying microstructure forms and evolves during the synthesis process, and (ii) develop and test a mesoscale phase-field model for vapor deposition to capture critical mechanisms of microstructure formation, evolution, and variability in vapor-deposited energetic materials, such as processing conditions, material properties, and substrate interactions. Based on this work, the phase-field method is shown to be a valuable tool for developing the necessary models containing coupled, complex phenomena to investigate and understand the synthesis and processing of energetic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Epitaxial Design of Complex Nickelates as Electrocatalysts for the Oxygen Evolution Reaction

Abstract The oxygen evolution reaction (OER) is a crucial process in electrochemical water splitting, a promising technology to renewably yield hydrogen gas from water. Designing and developing earth‐abundant, efficient, and stable OER electrocatalysts to replace the most widely used but scarce RuO 2 and IrO 2 are thus of critical interest. Recently, ABO 3 ‐structured perovskite oxides, especially rare‐earth nickelates, are extensively studied for their potential use as OER electrocatalysts. In particular, the epitaxial synthesis of complex oxide thin films allows flexible and precise control over the materials so that their structure–stability–property relationships can be established. Using nickelate thin films as model systems, this review illustrates how epitaxial design allows researchers to test different hypotheses and proposed descriptors, as well as formulate new design principles. Following a brief introduction to the background of OER mechanisms, proposed activity descriptors, and synthesis methods, various epitaxial design strategies are surveyed including strain tuning, composition control, surface termination/orientation selection, defect engineering, and interface design. These have led to precise control over the atomic structures and electronic properties of nickelates which in turn determine their electrochemical performance. Finally, the remaining challenges and perspectives toward a deeper understanding and use of complex oxides as OER catalysts are discussed.

Choi, Min‐Ju↗
DOE OSTI2020

Assessing mechanical response of CO 2 storage into a depleted carbonate reef using a site-scale geomechanical model calibrated with field tests and InSAR monitoring data

Geomechanical risks of injection have raised concerns regarding secure CO 2 storage. In this work, a combined monitoring and modeling approach is used to assess the stress changes and surface uplift associated with CO 2 injection into a depleted carbonate reef of the Michigan basin. A site-scale geomechanical model is built by assigning mechanical properties of formations using well-log and experimental data. Gravity load is applied to the model to estimate the vertical component of stress as well as different lateral boundary displacement scenarios to estimate horizontal stresses. We used a poroelastic pressure-dependent model (instead of a linear elastic mechanical earth model) to calibrate initial stresses using hydraulic fracture test data measured at depleted reservoir status. Multi-phase fluid flow-geomechanical simulations are performed to estimate the poroelastic response during (1) primary depletion (2) field-scale CO 2 injection phase (3) a hypothetical forecast scenario in which well bottom hole pressure (BHP) reach 45000 KPa. The predicted surface uplift is less than 1 mm at the end of the field-scale CO 2 injection phase which is in good agreement with Interferometric Synthetic Aperture Radar (InSAR) uplift measurement. Although the InSAR data shows an insignificant uplift, hydromechanical modeling of injection shows that CO 2 injection still causes reservoir deformation emphasizing the role of carbonate overburden and reservoir formation mechanical properties and limited size of reef on diminishing the surface deformation. Modeling indicates poroelastic response of caprock matters to estimate uplift. The lower permeability of the top two layers provides additional barrier to large uplift. Also, history of subsidence due to production should be accounted to predict uplift due to a follow up injection correctly. This report shows the significance of combining a calibrated geomechanical model with field measured stresses and monitoring data to be used as a tool to ensure the safety of CO 2 storage.

42 ENGINEERING↗
DOE OSTI2024

Dynamic and quasi-static strength of additively repaired aluminum

Additive manufacturing has the potential to repair high value components, saving significant time and resources; however, the level of reliability and performance of additive repairs is still relatively unknown. In this work, the structure–property and performance of laser wire additive manufacturing repairs in 1100 aluminum are investigated. Two types of intentional damage are inflicted on the samples and subsequently repaired with pulsed laser deposition additive manufacturing. Quasi-static (10 –3 s –1 ) and high strain-rate (10 –3 s –1 ) mechanical testing is carried out with in situ diagnostics and post-mortem imaging. The results show that while the quasi-static strength and ductility of samples with a repaired region are lower than a pristine sample, the dynamic strength under shock loading is comparable. This work highlights both the potential utility of additive manufacturing for repair purposes, the significant risk of compromised performance of additive parts under specific conditions, and the need to test at varying strain rates to fully characterize material performance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Experimental Simulations of Field-Induced Mechanical Abuse Conditions

Mechanical failure of cell components is an important component to understanding safety outcomes for batteries subjected to external loading. Several key parameters governing the mechanical response at the component to the module level are discussed in this chapter. Specifically, nuances associated with experimental measurements of these properties – including development of test methods, fixturing the test articles, ways to minimize errors in measurements, and improving the repeatability of some of these experiments – are examined closely.

Torres-castro, Loraine↗
DOE OSTI2024

Investigating Material Properties of Subsurface Rock Formations Modified by Engineering Mineral Precipitation (Final Scientific and Technical Report)

Montana State University’s (MSU) Energy Research Institute (ERI), in collaboration with the Center for Biofilm Engineering (CBE) and the Department of Civil Engineering (CE), has conducted a long‐term research program aimed at developing a novel cementing agent to address wellbore integrity and reduce the unwanted upward migration of fluids and greenhouse gases from the subsurface. The primary technology developed through this research program is known as ureolysis‐induced calcite precipitation (UICP), which harnesses bio‐chemical processes to precipitate calcium carbonate (CaCO 3 ). The same general process can also be called microbially-induced calcium carbonate precipitation (MICP) when microbes provide the process-catalyzing urease enzyme. Both terms are used in this report. Results have conclusively demonstrated that, if properly controlled, UICP can successfully seal fractures, high permeability zones, and compromised cement in the vicinity of wellbores and in nearby caprock. This technology has been successfully deployed to mitigate annular leakage in two test wells and over sixty commercial wells with a 100% success rate. This success in downhole deployment generates consideration of other subsurface applications where UICP could provide benefit to the energy sector, such as shale property modification for unconventional oil and gas recovery. The focus of this research project was to investigate fundamental material and mechanical properties of select shale cores and analyze how these properties change due to engineered mineral precipitation with the intent to control these properties to achieve a range of engineering objectives. Ultimately, the project aim was to identify valuable new areas where application of UICP might contribute to national energy security and environmental protection. The research workplan coupled UICP treatment of core samples, nuclear magnetic resonance (NMR) characterization, and mechanical strength testing at MSU with advanced X‐Ray micro-computed tomography (μCT) imaging and numerical modeling performed by collaborators at two national laboratories, the National Energy Technology Laboratory (NETL) and Lawrence Berkeley National Laboratory (LBNL). Experimental results are useful to inform geo-mechanical models which could be applied to predict mineralized rock formation behavior at field scale. Our findings suggest that NMR and μCT methods to detect and quantify biomineral formation in shale fractures are complementary and consistent with each other. Either could be used to estimate the volume of new mineral formed by UICP in shale fractures. The use of surfactants and guar gum to enhance biomineral precipitation in shale fractures merits further research. UICP can, under some conditions, increase the tensile strength of sealed shale fractures beyond that of the intact shale. These findings demonstrate that continued research in this area may be valuable to understanding and improving shale resource recovery techniques.

58 GEOSCIENCES↗
DOE OSTI2025

Microstructural features underpinning the mechanical behavior of powder metallurgy Cr-based alloys

Refractory materials such as Cr-based alloys offer the potential of enhanced elevated temperature performance but have been limited by their poor formability. However, powder metallurgy has been shown to be a viable pathway to fabricate these alloys. Nanophase separation sintering (NPSS) in particular has been used in the literature to accelerate the densification of powder metallurgy Cr- and W-based alloys. Here, we explore microstructure evolution during NPSS in a binary Cr 85 Ni 15 alloy consolidated via (i) cold pressing & pressureless sintering and (ii) hot isostatic pressing followed by hot extrusion & hot upsetting, and the role of these different processing routes on resulting material properties. The alloy lacked room temperature tensile ductility regardless of consolidation process, with multi-length scale characterization, including scanning electron microscopy, transmission electron microscopy, atom probe tomography, X-ray diffraction, and uniaxial tensile testing, revealing that brittleness was due to intrinsically poor Cr grain boundary cohesion. Tensile testing conducted at 760 °C showed marked strength reduction for the extruded & upset (94 %) condition compared to the pressed & sintered (18 %). The formation of orthorhombic CrNi 2 intermetallics functioned as precipitate strengtheners and prevented elevated temperature softening in the pressed and sintered condition. The findings offer foundational insights into aiding the future development of Cr-based alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Examination of Gamma-irradiated Calcium Silicate Hydrates. Part II: Mechanical Properties

Mechanical properties of calcium silicate hydrates (C-S-H) with C/S ratios of 0.75, 1, and 1.33 were examined with nanoindentation after gamma-adsorbed doses of 0.145, 0.280, 0.500, and 0.784 MGy, and were compared with control samples. Young' s modulus and stress relaxation tests showed no apparent trend with irradiation dose. Qualitatively, most of the irradiated samples were found to relax more than their respective controls, but not always in a statistically significant manner. Most of the Young' s modulus irradiated–control pairs showed marginally higher stiffness in the irradiated samples, but overall trends with irradiation dose were not obvious. Creep compliance was obtained for the samples irradiated at the highest dose and their respective controls. Two of the three irradiated samples exhibited less creep than their respective controls, but only one of which was statistically significant. The lack of clear changes in mechanical properties for these samples correlates with separate chemical analyses that showed no loss of interlayer water by exposure to irradiation or changes in the mean silicate chain length. Further research evaluating higher doses (25 and 200 MGy) representative of those received by concrete structures in nuclear power plants at prolonged operation is being carried out to complement the present study.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Carbon nanofibers (CNFs) dispersed in ultra-high performance concrete (UHPC): Mechanical property, workability and permeability investigation

This paper presents experimental data on the effect of carbon nano-fiber (CNF) dispersion on mechanical behavior, workability, and permeability of ultra-high-performance concrete containing CNF (UHPC-CNF). The addition of CNFs in concrete has been shown to provide improved performance. However, an inhomogeneous distribution of CNFs in the cement matrix can result in no impact or decreased mechanical performance. Due to the van der Waal's forces and hydrophobic surface properties of the CNFs, good dispersion in mix fluids and cement paste is challenging. Experimental studies of UHPC-CNF with different dispersion methods are provided. Further mixing with optimized UHPC paste allowed for the investigation of the optimal dosage of CNFs, impact on porosity, compressive strength, flexural strength, hydration rate, and slump. Scanning electron microscopy (SEM) analysis visually revealed the effect of dispersion. Our results indicate that shear mixing and subsequent ultrasonic dispersion with chemical surfactants can provide a well-dispersion liquid admixture of CNFs resulting in high mechanical performance of UHPC-CNFs composites. The water permeability and chloride resistance of optimized UHPC-CNFs composites were further evaluated with the wicking test and ponding test to reveal improved performance for these properties as well.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A study of degradation mechanisms in PVDF-based photovoltaic backsheets

Abstract Commercial backsheets based on polyvinylidene fluoride (PVDF) can experience premature field failures in the form of outer layer cracking. This work seeks to provide a better understanding of the changes in material properties that lead to crack formation and find appropriate accelerated tests to replicate them. The PVDF-based backsheet outer layer can have a different structure and composition, and is often blended with a poly(methyl methacrylate) (PMMA) polymer. We observed depletion of PMMA upon aging with sequential (MAST) and combined (C-AST) accelerated stress testing. In field-aged samples from Arizona and India, where PVDF crystallizes in its predominant α-phase, the degree of crystallinity greatly increased. MAST and C-AST protocols were, to some extent, able to replicate the increase in crystallinity seen in PVDF after ~ 7 years in the field, but no single-stress test condition (UV, damp heat, thermal cycling) resulted in significant changes in the material properties. The MAST regimen used here was too extreme to produce realistic degradation, but the test was useful in discovering weaknesses of the particular PVDF-based outer layer structure studied. No excessive β-phase formation was observed after aging with any test condition; however, the presence of β-phase was identified locally by Fourier transform infrared spectroscopy (FTIR). We conclude that both MAST and C-AST are relevant tests for screening outdoor failure mechanisms in PVDF backsheets, as they were successful in producing material degradation that led to cracking.

14 SOLAR ENERGY↗
DOE OSTI2024

The effect of stretching on polyamide – 6: assessment of crystallinity, mechanical properties, and surface roughness

Polyamide-6 (PA6), or nylon-6, is a widely used low-cost polymer material for various applications. Manufacturing PA6 into fibers involves a spinning process such as melt extrusion, which orients the polymer chains into a semicrystalline structure. When stretching the produced fibers to high strains, the PA6 fibers transition the metastable gamma phase back into the stable gamma phase. The effects of these large stretches on mechanical properties have not been explored after the stretch has been released. In this study, the effects on mechanical properties were studied by stretching the PA6 fibers from 10% to 50% tensile strain and subsequently releasing the fibers. The stretched fibers were characterized by X-ray diffraction and atomic force microscopy to determine the changes to the crystal structure and surface roughness. The stretched fibers were then tensile tested to failure and the tensile properties were examined. The stress-strain curves on the post-stretched PA6 fibers showed clear softening in the fibers with lower initial moduli after 30% stretching. Furthermore, these results may hold a clue to softening of fibers in applications with repeated loading and have implications for mechanical stability and fatigue of this polymeric material.

36 MATERIALS SCIENCE↗