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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Nanoscale insights into the structure of solution-processed graphene by x-ray scattering

Abstract Chemical exfoliation is an attractive approach for the synthesis of graphene due to its low cost and simplicity. However, challenges still remain in the characterization of solution-processed graphene, in particular with atomic resolution. Through this work we demonstrate the x-ray pair distribution function as a novel approach to study solution-processed graphene or other 2D materials with atomic resolution, directly in solution, produced by liquid-phase and electrochemical exfoliations. The results show the disappearance of long-range atomic correlations, in both cases, confirming the production of single and few-layer graphene. In addition, a considerable ring distortion has been observed as compared to graphite, irrespective of the solvent used: the normal surface angle to the sheet of the powder sample should be less than 6°, compatible with ripples formation observed in suspended graphene. We attribute this effect to the interaction of solvent molecules with the graphene nanosheets.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Internal strain analysis of ceramics using scanning laser acoustic microscopy

Quantitative studies of material behavior characteristics are essential for predicting the functionality of a material under its operating conditions. A nonintrusive methodology for measuring the in situ strain of small dimeter (to 11 microns) ceramic fibers under uniaxial tensile loading and the local internal strains of ceramics and ceramic composites under flexural loading is introduced. The strain measurements and experimentally observed mechanical behavior are analyzed in terms of the microstructural development and fracture behavior of each test specimen evaluated. Measurement and analysis of Nicalon silicon carbide (SiC) fiber (15 microns diameter) indicate that the mean elastic modulus of the individual fiber is 185.3 GPa. Deviations observed in the experimentally determined elastic modulus values between specimens were attributed to microstructural variations which occur during processing. Corresponding variations in the fracture surface morphology were also observed. The observed local mechanical behavior of a lithium alumino-silicate (LAS) glass ceramic, a LAS/SiC monofilament composite, and a calcium alumino-silicate (CAS)/SiC fully reinforced composite exhibits nonlinearities and apparent hysteresis due to the subcritical mechanical loading. Local hysteresis in the LAS matrices coincided with the occurrence of multiple fracture initiation sites, localized microcracking, and secondary cracking. The observed microcracking phenomenon was attributed to stress relaxation of residual stresses developed during processing, and local interaction of the crack front with the microstructure. The relaxation strain and stress predicted on apparent mechanical hysteresis effects were defined and correlated with the magnitude of the measured fracture stress for each specimen studied. This quantitative correlation indicated a repeatable measure of the stress at which matrix microcracking occurred for stress relief of each material system. Stress relaxation occurred prior to the onset of steady state cracking conditions. The relaxation stress occurred at 18.5 percent of the fracture stress in LAS and 11.0 percent of the yield stress in CAS/SiC. The relaxation stress ratio was dependent upon the dominant fracture mode of the LAS/SiC specimens. Relaxation stress ratios greater than 0.30 were observed for specimens which fractured due to shear at the fiber matrix interface; specimens which fracture due to tensile cracking had relaxation stress ratios less than 0.30. The stress relaxation ratio appeared to be a specific characteristic of the glass ceramic material. The measured stress relaxation for LAS indicated a measure of the inherent residual stresses in the material due to processing and suggested localized toughening mechanisms for brittle material structures.

Kent, Renee M.↗
DOE OSTI2023

Framework for Characterizing the Performance of High-Early Strength, High-Volume Fly Ash (HVFA) Concrete Structures

This presentation will highlight the development of a comprehensive framework to characterize the performance of high-volume fly ash (HVFA) concretes at early ages and discuss the resulting implications for concrete structures built using such materials. Achieving high-early compressive and/or flexural strength is often of particular importance for precast and/or prestressed concrete components – due to early age loading demands resulting from lifting, handling, or application of initial prestress – or other types of concrete structures that can significantly benefit from rapid strength development - such as for bridge deck repairs. The framework first includes a methodology for optimizing the strength of HVFA cementitious binders before subsequently scaling up the technology to evaluation of fresh and hardened HVFA concrete performance. A series of trial mix designs will be presented to demonstrate the effectiveness of the framework to achieve not only the desired high-early strength targets but also satisfactory workability, often in the form of self-consolidating concrete. Mechanical performance was evaluated at several age-dependent milestones and, in conjunction with estimating concrete strength using the maturity method, was ultimately used to facilitate the development of novel strength development history curves. By way of these datasets, concrete mechanical properties were utilized in the design of prototype structural components, such as beams and wall panels, for subjection to larger-scale experimental testing. Implications for other pertinent HVFA concrete performance attributes, such as shrinkage or creep, will also be discussed. The framework also includes a comprehensive methodology for evaluating the environmental life-cycle performance of HVFA concrete structures focused on mitigating any unwarranted environmental consequences resulting from beneficial HVFA reuse in concrete. Strategies for more widespread implementation of HVFA concrete materials into construction practice will also be presented. Lastly, the role of the HVFA concrete framework towards the development of new provisions for building codes and/or design standards, and recommendations for future research needs will also be discussed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

High-Temperature Oxidation of Steels in Direct-Fired CO 2 Power Cycle Environments

We report future direct-fired supercritical CO 2 power cycles require steels resistant to oxidation/corrosion in high-temperature CO 2 environments containing various impurities. Herein we studied the oxidation behavior of 14 candidate steels in a simulated direct-fired CO 2 power cycle environment consisting of 95% CO 2 , 4% H 2 O, 1% O 2 with/without 0.1% SO 2 at 1 atm and 550 °C, 600 °C, 650 °C for up to 2500 hours. Steels with ≥11.5 wt% Cr exhibited at least partial coverage by Cr-rich oxide scales leading to a significant decrease in the oxidation rates in both gases. While SO 2 had little effect on low-Cr steels that formed Fe-rich oxides, it generally worsened performance of high-Cr (> 11.5 wt%) steels by hindering the establishment of a protective Cr-rich oxide. This effect was most pronounced at the lowest temperature of 550 °C, which was attributed to strong preferential adsorption of sulfur-containing species within the oxide at relatively low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermodynamic modeling of the Pd–Zn system with uncertainty quantification and its implication to tailor catalysts

Pd–Zn intermetallic catalysts show encouraging combinations of activity and selectivity on well-defined active site ensembles. Thermodynamic description of the Pd–Zn system, delineating phase boundaries and enumerating site occupancies within intermediate alloy phases, is essential to determining the ensembles of Pd–Zn atoms as a function of composition and temperature. Combining the present extensive first-principles calculations based on density functional theory (DFT) and available experimental data, the Pd–Zn system was remodeled using the CALculation of PHAse Diagrams (CALPHAD) approach. High throughput modeling tools with uncertainty quantification, i.e., ESPEI and PyCalphad, were incorporated in the phase analysis. Here, the site occupancies across the γ phase composition region were given special attention. A four-sublattice model was used for the γ phase owing to its four Wyckoff positions, i.e., the outer tetrahedral (OT) site 8c, the inner tetrahedral (IT) site 8c, the octahedral (OH) site 12e, and the cuboctahedral (CO) site 24g. The site fractions of Pd and Zn calculated from the present thermodynamic model show the occupancy preference of Pd in the OT and OH sublattices in agreement with experimental observations. The force constants obtained from DFT-based phonon calculations further supports the tendency of Pd occupying the OH sublattice compared with the IT and CO sublattice. The catalytic ensembles changing from Pd monomers (Pd 1 ) to trimers (Pd 3 ) on the surface of γ phase are attributed to the increase of Pd occupancy in the OH sublattice.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Strength stability at high temperatures for additively manufactured alumina forming austenitic alloy

Several fast-spectrum nuclear reactors designed to generate high power (~450 MWe) rely on forced convection of media such as supercritical CO 2 , sodium, or liquid lead to cool the nuclear core, operating at temperatures up to 600 °C. Cost-effective, high-strength Fe-based alumina forming austenitic (AFA) alloys are a promising candidate for the fabrication of critical nuclear components. This study investigated laser powder bed fusion (LPBF) processing of an AFA alloy composition optimized for improved creep resistance. Electron microscopy revealed an elongated grain structure along the build direction with a fine sub-grain cellular structure decorated with (Cr,Fe,Nb) 23 C 6 carbide precipitates at the intercellular boundaries. Finally, at temperatures of 20–900 °C, the LPBF alloy's superior tensile properties compared to its arc-melted counterpart and other advanced steels (e.g., SS316) were attributed to the distribution of nano-sized carbide precipitates, whereas the high ductility was attributed to the LPBF alloy's elongated grain structure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Embedding thermocouples in SS316 with laser powder bed fusion

Recent advances in manufacturing technologies have enabled the fabrication of complex geometries for a wide range of applications, including the energy, aerospace, and civil sectors. The ability to integrate sensors at critical locations within these complex components during the manufacturing process could benefit process monitoring and control by reducing reliance on models to relate surface measurements to internal phenomena. This study investigated embedding thermocouples in a SS316 matrix using laser powder bed fusion. Under optimal processing conditions, embedded thermocouples were characterized post-building, finding good bonding to the matrix with no melt pool penetration to the sensing elements. Futher, the embedded thermocouple performed similarly to an identical non-embedded thermocouple during thermal testing to 500 °C with only a slight difference in response time, which was attributed to the differences in mass and the associated thermal time constants.

image analysis↗
DOE OSTI2021

Effects of Surface Energy on Adhesive Strength of Sylgard [Slides]

Previous tests showed large variation in measured separation load. Large variation may be attributed to the surface preparation. Surface preparation will be characterized by measuring the free surface energy of the adherents prior to sample assembly.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Idaho National Laboratory CY 2021 National Emission Standards for Hazardous Air Pollutants Analysis, Methodology and Results for Radionuclides

This report details calculations of potential dose at public receptor locations surrounding the Idaho National Laboratory (INL) Site boundary, and INL in-town facilities, from radionuclides reported to be in use and potentially emitted from INL facilities during calendar year (CY) 2021. All calculations were performed in accordance with the requirements in Code of Federal Regulations (CFR), Title 40, “Protection of the Environment,” Part 61, “National Emission Standards for Hazardous Air Pollutants (NESHAPs),” Subpart H, “National Emission Standards for Emissions of Radionuclides Other than Radon from Department of Energy Facilities” (40 CFR 61, Subpart H). Modeling methodology, model input parameters, and contribution to dose by facility, source, and radionuclide at the maximally exposed individual (MEI) location are also discussed. The information in this report supports the “National Emission Standards for Hazardous Air Pollutants - Calendar Year 2021 INL Report for Radionuclides” (INL 2022). In CY 2021, the estimated annual potential dose at the INL Site MEI location was 6.67E-02 mrem/yr, up slightly from the previous year, but far less than the regulatory standard of 10 mrem/yr (CFR 40 Part 61, Subpart H). Approximately 97% of the total dose to the INL Site MEI originated from MFC sources. Emissions from INL in-town facilities resulted in an estimated annual potential dose of 6.21E-03 mrem/yr to the MEI, down 40% from the CY 2020 estimated dose. Year-to-year variations in estimated annual dose can be attributed to adjustments in laboratory operations, changes to facility infrastructure, and variation in meteorological conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Interfacial Electromechanics Predicts Phase Behavior of 2D Hybrid Halide Perovskites

Quasi-two-dimensional (2D) mixed-cation hybrid halide perovskites (A' 2 A N–1 M N X 3N+1 ; A' = large organic molecule with cationic group, A = [Cs + , CH 3 NH 3 + , HC(NH 2 ) 2 + ], M = [Pb, Sn, Ge], X = [I – , Br – , Cl – ]) have rapidly emerged as candidates to improve the structural stability and device lifetime of 3D perovskite semiconductor devices under operating conditions. The addition of the large A' cation to the traditional AMX 3 structure introduces several synthetic degrees of freedom and breaks M–X bonds, giving rise to peculiar critical phase behavior in the phase space of these complex materials. In this work, we propose a thermodynamic model parametrized by first-principles calculations to generate the phase diagram of 2D and quasi-2D perovskites (q-2DPKs) based on the mechanics and electrostatics of the interface between the A' cations and the metal halide octahedral network. Focusing on the most commonly studied methylammonium lead iodide system where A' is n-butylammonium (BA; CH 3 (CH 2 ) 3 NH 3 + ), we find that the apparent difficulty in synthesizing phase-pure samples with a stoichiometric index N > 5 can be attributed to the energetic competition between repulsion of opposing interfacial dipole layers and mechanical relaxation induced by interfacial stress. Our model shows quantitative agreement with experimental observations of the maximum phase-pure stoichiometric index (N crit ) and explains the nonmonotonic evolution of the lattice parameters with increasing stoichiometric index (N). This model is generalizable to the entire family of q-2DPKs and can guide the design of photovoltaic and optical materials that combine the structural stability of the q-2DPKs while retaining the charge carrier properties of their 3D counterparts.

14 SOLAR ENERGY↗
DOE OSTI2021

Spin-texture-driven electrical transport in multi-Q antiferromagnets

Abstract Unusual magnetic textures can be stabilized in f -electron materials due to the interplay between competing magnetic interactions, complex Fermi surfaces, and crystalline anisotropy. Here we investigate CeAuSb 2 , an f -electron incommensurate antiferromagnet hosting both single- Q and double- Q spin textures as a function of magnetic fields ( H ) applied along the c axis. Experimentally, we map out the field-temperature phase diagram via electrical resistivity and thermal expansion measurements. Supported by calculations of a Kondo lattice model, we attribute the puzzling magnetoresistance enhancement in the double- Q phase to the localization of the electronic wave functions caused by the incommensurate magnetic texture.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Laboratory Spectroscopy of Astrophysically-Relevant Materials: Developing Dust as a Diagnostic

Over forty years ago, observations in the new field of infrared astronomy showed a broad spectral feature at 10 microns; the feature was quickly associated with the presence of silicate-rich dust. Since that time, improvements in infrared astronomy have led to the discovery of a plethora of additional spectral features attributable to dust. By combining these observations with spectroscopic data acquired in the laboratory, astronomers have a diagnostic tool that can be used to explore underlying astronomical phenomena. As the laboratory data improves, so does our ability to interpret the astronomical observations. Here, we discuss some recent progress in laboratory spectroscopy and attempt to identify future research directions.

Rinehart, Stephen A.↗
DOE OSTI2023

The combined effect of temperature and seawater on the compression properties of carbon fiber vinyl ester composites for sandwich structures

For naval applications, composite sandwich structures are of significant interest, and are often manufactured using thin (2 to 4 mm) composite facings made from carbon or glass fiber reinforcement, attached to a thick (25 to 50 mm) section of PVC cellular foam or balsa wood-based core materials using a suitable polymeric resin. In the present study, we focus on the hygrothermal effect on the fiber-dominated compression properties of carbon fiber reinforced vinyl ester resin based polymeric composite (CF/VE), used as “skin” for a polymeric composite sandwich material. Hygrothermal conditioning is achieved by saturating samples in simulated seawater at 40°C. Compression properties are evaluated for coupons extracted along warp and fill undergoing- no conditioning, conditioning till saturation (up to 6 months), and long-term conditioning (2 years). Sea-water saturation yields in up to 12% drop in compression strength with a further 3–4% drop resulting from long-term conditioning. No statistically significant modulus degradation is noticed due to short or long-term hygrothermal exposure. The failure mechanism of the warp extracted coupon, which fails in a splitting failure mode originating due to the delamination between the 0/90 interface, or the fill extracted coupon, which fails due to the instability caused by tow micro-buckling, remains unchanged due to combined exposure (short or long-term) of seawater and temperature. The loss in strength is attributed to the degradation of the fiber-matrix interface, which is validated via conducting single fiber push-in tests with a nominal diameter of 7 micron for conditioned and unconditioned coupons.

Engineering↗
DOE OSTI2022

Effects of chemical segregation on ductility-anisotropy in high strength Fe-Mn-Al-C lightweight austenitic steels

Ductile Fe-Mn-Al-C lightweight steels offer great potential as high specific strength materials for weight critical applications. In the present work, very high yield (~1 GPa) and ultimate tensile strength levels (~1.5 GPa) were obtained along the rolling and transverse directions of Fe-30Mn-8.5Al-0.9Si-0.9C-0.5Mo (wt.%), with high tensile elongation to failure of ~35%. This excellent mechanical behavior was attributed to the nanoscale, ordered κ-carbide precipitates formed during aging after rolling. However, tensile ductility was not isotropic through all directions of the rolled plate. In particular, the ductility was consistently lower than 5% true strain along the normal direction. Upon detailed microstructural investigations, micro-scale lamellar chemical micro-segregation bands were detected, which caused the observed anisotropic embrittlement along certain plate directions. These bands resulted in low failure strains along the normal direction since it is oriented perpendicular to these chemical segregation bands, resulting in a failure type reminiscent of delamination-induced cleavage fracture. Chemical segregation causes an inhomogeneous κ-carbide precipitate distribution upon aging, producing more pronounced mechanical anisotropy after peak-aging as compared to the solution heat treated samples. Surprisingly, deformation twinning was observed after tensile deformation of solution-heat treated specimens via electron-backscatter diffraction experiments, which is anomalous for a high stacking faulty energy (SFE) material. Further, it was proposed that chemical micro-segregation promotes locally different SFE regions, leading to deformation twinning in this nominally high SFE material. Overall, this work demonstrates the effects of chemical segregation on mechanical properties and microstructural evolution in a high performance, lightweight Fe-Mn-Al-C steel.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A Nearly Zero-Strain Li-Rich Rock-Salt Oxide with Multielectron Redox Reactions as a Cathode for Li-Ion Batteries

Li-rich oxide cathodes are drawing increasing attention as next-generation cathode materials for the development of high-energy-density Li-ion batteries due to their strikingly high capacities. However, transition-metal migration, irreversible structural phase transformations, and the irreversible release of oxygen are responsible for rapid capacity and voltage decay. This study reports a Li-rich cation-ordered rock-salt oxide Li x V 0.4 Ti 0.4 O 2 (LVTO, x = 0.97/1.2) with space group Fd$\bar{3}$m that delivers a high capacity of over 250 mAh g -1 and capacity retention up to 89% after 50 cycles. A comprehensive experimental analysis confirms that the capacity can be attributed to the reversible V 3+ /V 5+ multielectron cationic redox reactions and a minor contribution from reversible anionic redox reactions. Importantly, LVTO exhibits nearly zero-strain behavior upon (dis)charge cycling cycles, which is associated with reversible V migration from octahedral to tetrahedral sites. Here our results demonstrate that Li-rich rock-salt oxide LVTO could be a promising cobalt-free cathode material for Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Compositing and Characterization of SE Quadrant Waste Exemplars

This report outlines the experimental investigation and characterization of transport properties in Hanford SE quadrant High-Level Waste (HLW). The goal of the study was to establish baseline behaviors of bulk composite rheology and settling characteristics to facilitate waste treatment process design for the Waste Treatment and Immobilization Plant (WTP) and avoid waste conditions and properties favorable to bubble cascade gas release events. The study focused on two major objectives: 1) identifying, obtaining, and preparing relevant Hanford tank waste samples for evaluation and 2) quantifying the “as-received” rheology and transport properties of the samples. Twenty-three centrifuged core segments originating from tanks AN-101, AN-106, and AW-105 were selected based on compositional relevance to SE quadrant PUREX cladding waste. These materials were composited into five waste composites enriched with target analytes: aluminum (Al), iron (Fe), phosphate (PO 4 ), uranium (U), and zirconium (Zr). Physical property and transport testing examined particle size distributions, bulk densities, settling behaviors, rheological properties, shear strengths, and just-suspended mixing speeds (NJS). Testing revealed two distinct composite classifications based on rheological characteristics: non-Newtonian composites (Fe and PO 4 ) and Newtonian composites (Al, U, and Zr). The Fe and PO 4 composites exhibited slow settling rates and reduced mobilization proclivity, attributable to strong particle-particle interactions and the formation of yield structures within non-Newtonian slurries. In contrast, the Al, U, and Zr composites displayed rapid settling and dense compaction behaviors, indicative of minimal structuring and interactions. Shear strengths for all composites were generally low relative to prior studies of SE quadrant waste, with only the U composite showing elevated strength approaching values reported in previous literature. Repeat shear strength measurements revealed contributions from dense granular material in the U composite and stronger cohesive properties in the Al composite. Settling data highlighted hindered settling behavior, with rates falling more than one order of magnitude below estimates based on Stokes’ law and rate decreasing as composite UDS content increased. NJS testing demonstrated different mobilization behaviors between cohesive and granular composites. The Fe composite required the highest mixing rate for resuspension, while the Al composite was the easiest to resuspend. Comparison of measured NJS against predictions made using the Zwietering correlation suggests non-Newtonian behavior alters resuspension mechanics, rendering non-Newtonian systems more stable against resuspension lift forces relative to their granular counterparts.

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

Near-Field Radiative Heat Transfer Between Two α-MoO3 Biaxial Crystals

The near-field radiative heat transfer (NFRHT) between two semi-infinite α-MoO3 biaxial crystals is investigated numerically based on the fluctuation–dissipation theorem combined with the modified 4 × 4 transfer matrix method in this paper. In the calculations, the near-field radiative heat flux (NFRHF) along each of the crystalline directions of α-MoO3 is obtained by controlling the orientation of the biaxial crystals. The results show that much larger heat flux than that between two semi-infinite hexagonal boron nitride can be achieved in the near-field regime, and the maximum heat flux is along the [001] crystalline direction. The mechanisms for the large radiative heat flux are explained as due to existence of hyperbolic phonon polaritons (HPPs) inside α-MoO3 and excitation of hyperbolic surface phonon polaritons (HSPhPs) at the vacuum/α-MoO3 interfaces. The effect of relative rotation between the emitter and the receiver on the heat flux is also investigated. It is found that the heat flux varies significantly with the relative rotation angle. The modulation contrast can be as large as two when the heat flux is along the [010] direction. We attribute the large modulation contrast mainly to the misalignment of HSPhPs and HPPs between the emitter and the receiver. Hence, the results obtained in this work may provide a promising way for manipulating near-field radiative heat transfer between anisotropic materials.

Engineering↗
NASA NTRS1995

Numerical simulation of supersonic and hypersonic inlet flow fields

This report summarizes the research performed by North Carolina State University and NASA Ames Research Center under Cooperative Agreement NCA2-719, 'Numerical Simulation of Supersonic and Hypersonic Inlet Flow Fields". Four distinct rotated upwind schemes were developed and investigated to determine accuracy and practicality. The scheme found to have the best combination of attributes, including reduction to grid alignment with no rotation, was the cell centered non-orthogonal (CCNO) scheme. In 2D, the CCNO scheme improved rotation when flux interpolation was extended to second order. In 3D, improvements were less dramatic in all cases, with second order flux interpolation showing the least improvement over grid aligned upwinding. The reduction in improvement is attributed to uncertainty in determining optimum rotation angle and difficulty in performing accurate and efficient interpolation of the angle in 3D. The CCNO rotational technique will prove very useful for increasing accuracy when second order interpolation is not appropriate and will materially improve inlet flow solutions.

Mcrae, D. Scott↗