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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The importance of ester cleavage in the butylamine pretreatment of hybrid poplar

Butylamine is an effective in-and-out pretreatment solvent for hybrid poplar. It penetrates the cell walls and breaks ester cross-linkages, facilitating lignin release and improving enzymatic digestion. This work explores the “in-and-out” pretreatment of hybrid poplar with butylamine as a distillable protic solvent and reagent. The butylamine solvent can be removed by vacuum distillation with >95% solvent removal in all cases, providing a valuable scheme for efficient solvent recovery and recycling. Running the reaction with neat butylamine at 140 °C for 3 hours results in high yields of monosaccharides (90% glucose and 71% xylose) after enzymatic digestion, and a good tolerance to water content with no significant reduction in glucose yield up to an 8 : 1 water : butylamine ratio. We investigate the mechanisms of this pretreatment using powder X-ray diffraction, thermogravimetric analysis, fluorescence microscopy, elemental analysis, solid state and solution state nuclear magnetic spectroscopy to observe chemical and material markers of the pretreatment chemistry. The results suggest that the butylamine leaves the macro and microstructural properties of the lignocellulose relatively unaltered, but conducts targeted ester cleavage chemistry to remove cross-links between the various biopolymers and partially solubilize the lignin component of the biomass. These findings should act to guide future development of pretreatment chemistry for the development of biorefinery processes, and assist in the utilization of biomass as a starting point for chemical syntheses.

Palasz, Joseph M↗
DOE OSTI2020

Chapter 15: Summary and Outlook

In the various chapters of this book, numerous characterization techniques are presented that can be applied to thin-film solar cells to determine (micro)structural, compositional, electrical, and optoelectronic properties. What has yet to be more fully elucidated is to what extent these characterization techniques can be combined, in a correlative way, to enhance the information gathered on materials and devices. Indeed, it is valuable to consider combining techniques to verify the relevance of the measured materials properties or to obtain them on different length scales-to compare surface with bulk properties, or to correlate structure and composition of materials with electrical and optoelectronic properties.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2012

Spacer-less, decoupled granular L1{sub 0} FePt magnetic media using Ar-He sputtering gas

Spacer materials are often used to fabricate granular L1{sub 0} FePt media and reduce the grain size, however, at the expense of reduced out-of-plane coercivity. Here, we demonstrate a spacer-less method in which adding 1% helium to argon sputtering gas leads to a substantial improvement in the chemical ordering, as well as the magnetic and microstructural properties of FePt. This change is attributed to the modification in the ion current density of the plasma caused by the excited metastable helium species. Helium plays a pivotal role in providing the Fe and Pt atoms optimal adatom mobility, thereby, producing well-ordered L1{sub 0} FePt media. This leads to an enhancement of the out-of-plane coercivity from 15 to 22 kOe. Furthermore, exchange decoupled grains with a twofold reduction in their diameter to {approx}24 nm are also achieved. These properties are crucial for magnetic media of the future for data storage recording densities beyond 1 Tb/in{sup 2}.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Grain size effect on the giant dielectric constant of CaCu{sub 3}Ti{sub 4}O{sub 12} nanoceramics prepared by mechanosynthesis and spark plasma sintering

In the present work, CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) nanoceramics with different grain sizes were prepared by spark plasma sintering (SPS) at different temperatures (SPS-800, SPS-900, SPS-975, and SPS-1050) of the mechanosynthesized nano-powder. Structural and microstructural properties were studied by XRD and field-emission scanning electron microscope measurements. The grain size of CCTO nanoceramics increases from 80 nm to ∼200 nm for the ceramics sintered at 800 °C and 975 °C, respectively. Further increase of SPS temperature to 1050 °C leads to micro-sized ceramics of 2–3 μm. The electrical and dielectric properties of the investigated ceramics were studied by impedance spectroscopy. Giant dielectric constant was observed in CCTO nanoceramics. The dielectric constant increases with increasing the grain size of the nanoceramics with values of 8.3 × 10{sup 3}, 2.4 × 10{sup 4}, and 3.2 × 10{sup 4} for SPS-800, SPS-900, and SPS-975, respectively. For the micro-sized SPS-1050 ceramics, the dielectric constant dropped to 2.14 × 10{sup 4}. The dielectric behavior is interpreted within the internal barrier layer capacitance picture due to the electrical inhomogeneity of the ceramics. Besides the resistive grain boundaries that are usually observed in CCTO ceramics, domain boundaries appear as a second source of internal layers in the current nanoceramics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Microstructural studies of nanocrystalline barium zirconium titanate (BZT) for piezoelectric applications

Lead-free piezoelectric ceramics based on barium titanate (BaTiO{sub 3}) with substitution of Zr{sup 4+} were prepared using sol-gel method. The Ba(Zr{sub x}Ti{sub 1-x})O{sub 3}, (BZT) powders with x = 0.0, 0.1, 0.2 and 0.3 were pressed into pellets and sintered at 1250 °C for 2 h. Focusing on the effect of Zr{sup 4+} substitutions into BaTiO{sub 3} perovskite system, the phase transition and microstructural properties of BZT ceramics were studied using XRD, SEM and EDX spectroscopy. All X-ray diffractograms were fitted using Pawley refinement model. The XRD diffractograms revealed the progressive phase transition from tetragonal to cubic phase as Zr content increased. The crystallite exhibited decreasing trend and was supported by shrinkage in grain size. The EDX analysis confirmed the successful substitution of Ti{sup 4+} with Zr{sup 4+} in BaTiO3 crystal.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Gd5Si4-PVDF nanocomposite films and their potential for triboelectric energy harvesting applications

The triboelectric energy generators prepared using the combination of self-polarized, high β-phase nanocomposite films of Gd 5 Si 4 -PVDF and polyamide-6 (PA-6) films have generated significantly higher voltage of ~425 V, short-circuit current density of ~30 mA/m 2 and a charge density of ~116.7 μC/m 2 as compared to corresponding values of ~300 V, 30 mA/m 2 and 94.7 μC/m 2, respectively for the pristine PVDF-(PA-6) combination. The magnetic measurements of the Gd 5 Si 4 -PVDF films display a ferromagnetic behavior as compared to diamagnetic nature of pristine PVDF. The presence of magnetic nanoparticles in the polymeric matrix allows for some control over the microstructural properties during the preparation process. The results open new routes for multiferroic composite films to be suitable for multi-functional magnetic and triboelectric energy harvesting applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Spectro-Microscopic Analysis of Soot Particle Composition and Source Attribution

Ambient soot particles significantly impact Earth’s radiative balance, human health, and atmospheric visibility. Their microstructural properties depend on formation and aging mechanisms, which vary by emission source and atmospheric processes. Hence, accurately identifying sources of soot enhances our understanding of their physicochemical properties and atmospheric implications. This study used a multi-modal approach to characterize and attribute sources of submicron soot particles collected in Israel during new particle formation events, biomass burning episodes, and background atmospheric conditions. Synchrotron-based X-ray microscopy was used to map soot (elemental carbon), organic carbon, and inorganic species. Implemented atomic force microscopy showed highly diverse phase states, with soot consistently exhibiting a solid-like phase. Automated µ-Raman analysis was subsequently performed on ~690 particles, identifying three soot classes based on spectral features corresponding to the "Defect" (D) and "Graphite" (G) bands of soot. We applied two-peak and five-peak fitting approaches to deconvolute the “Defect” peaks (D1, D2, D3, and D4) and G band from average Raman, revealing varying degrees of graphitic order. The degree of graphitic order was determined from metrics such as the D3 peak area, often observed when soot was internally mixed with organic material. Raman spectral features, along with temporal variations in particle classes contributions, suggest that Particle Type 1 corresponds to traffic related soot and Particle Type 2 to less graphitic soot from biomass burning, while Particle Type 3 is associated with more heterogeneous particulate representative of soot-OC mixtures emitted during new particle formation and biomass burning episodes.

Rivera-Adorno, Felipe (ORCID:0000000273557999)↗
DOE OSTI2023

A fully coupled thermal–microstructural–mechanical finite element process model for directed energy deposition additive manufacturing of Ti–6Al–4V

A fully coupled thermal–microstructural–mechanical finite element modelling framework is developed to investigate the distortion and residual stresses during directed energy deposition (DED) of multi-phase Ti–6Al–4V alloy. The Johnson–Cook constitutive model is used to predict the yield strength of each phase as a function of strain, strain rate and temperature where the flow stress is calculated by a linear mixing rule based on the volumetric phase fractions. A thin-walled rectangular sample is chosen as the reference geometry and the results are compared with experimentally measured in situ thermal history and distortion data, where a reasonable agreement is achieved. The proposed modelling framework with physics-based material constitutive model provides useful information for a better understanding of process–microstructure–property relations in additive manufacturing by DED.

Tunay, Merve↗
DOE OSTI2014

Modeling of irradiation hardening of iron after low–dose and low–temperature neutron irradiation

Irradiation hardening is a prominent low-temperature degradation phenomena in materials, and is characterized both by an irradiation-induced increase in yield strength along with the loss of ductility. In this paper, a reaction–diffusion cluster dynamics model is used to predict the distribution of vacancy and interstitial clusters in iron following low-temperature (<373 K) and low-dose (<0.1 dpa) neutron irradiation. The predicted microstructure evolutions of high-purity iron samples are compared to published experimental data (positron annihilation spectroscopy and transmission electron microscopy) and show good agreement for neutron irradiation in this regime. The defect cluster distributions are then coupled to a dispersed barrier hardening model that assumes a strength factor, α, which varies with cluster type and size to compute the yield strength increase; the results of which agree reasonably well with tensile tests performed in previous studies. Furthermore, the modeling results presented here compare quite well to the experimental observations in the low-dose regime, and provide insight into the underlying microstructure–property relationships and the need for spatially dependent modeling to accurately predict the saturation behavior of yield strength changes observed experimentally at higher dose levels.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Multi-scale mechanics of granular solids from grain-resolved X-ray measurements

This work discusses an experimental technique for studying the mechanics of three-dimensional (3D) granular solids. The approach combines 3D X-ray diffraction and X-ray computed tomography to measure grain-resolved strains, kinematics and contact fabric in the bulk of a granular solid, from which continuum strains, grain stresses, interparticle forces and coarse-grained elasto-plastic moduli can be determined. We demonstrate the experimental approach and analysis of selected results on a sample of 1099 stiff, frictional grains undergoing multiple uniaxial compression cycles. We investigate the inter-particle force network, elasto-plastic moduli and associated length scales, reversibility of mechanical responses during cyclic loading, the statistics of microscopic responses and microstructure–property relationships. This work serves to highlight both the fundamental insight into granular mechanics that is furnished by combined X-ray measurements and describes future directions in the field of granular materials that can be pursued with such approaches.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Applications of analytical electron microscopy to guide the design of boron carbide

Compositional analysis of boron carbide on nanometer length scales to examine or interpret atomic mechanisms, for example, solid-state amorphization or grain-boundary segregation, is challenging. This work reviews advancements in high-resolution microanalysis to characterize multiple generations of boron carbide. First, ζ-factor microanalysis will be introduced as a powerful (scanning) transmission electron microscopy ((S)TEM) analytical framework to accurately characterize boron carbide. Three case studies involving the application of ζ-factor microanalysis will then be presented: (1) accurate stoichiometry determination of B-doped boron carbide using ζ-factor microanalysis and electron energy loss spectroscopy, (2) normalized quantification of silicon grain-boundary segregation in Si-doped boron carbide, and (3) calibration of a scanning electron microscope X-ray energy-dispersive spectroscopy (XEDS) system to measure compositional homogeneity differences of B/Si-doped arc-melted boron carbides in the as-melted and annealed conditions. Overall, the improvement and application of advanced analytical tools have helped better understand processing–microstructure–property relationships and successfully manufacture high-performance ceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2017

CURRENT STATUS OF THE CHARACTERIZATION OF RPV MATERIALS HARVESTED FROM THE DECOMMISSIONED ZION UNIT 1 NUCLEAR POWER PLANT

The decommissioning of Units 1 and 2 of the Zion Nuclear Power Station in Zion, Illinois, after ~ 15 effective full-power years of service presents a unique opportunity to characterize the degradation of in-service reactor pressure vessel (RPV) materials and to assess currently available models for predicting radiation embrittlement of RPV steels [1-3]. Moreover, through-wall thickness attenuation and property distributions are being obtained and the results to be compared with surveillance specimen test data. It is anticipated that these efforts will provide a better understanding of materials degradation associated with extending the lifetime of existing nuclear power plants (NPPs) beyond 60 years of service and subsequent license renewal. In support of extended service and current operations of the US nuclear reactor fleet, the Oak Ridge National Laboratory (ORNL), through the U.S. Department of Energy, Light Water Reactor Sustainability (LWRS) Program, coordinated procurement of materials, components, and other items of interest from the decommissioned Zion NPPs. In this report, harvesting, cutting sample blocks, machining test specimens, test plans, and the current status of materials characterization of the RPV from the decommissioned Zion NPP Unit 1 will be discussed. The primary foci are the circumferential, Linde 80 flux, wire heat 72105 (WF-70) beltline weld and the A533B base metal from the intermediate shell harvested from a region of peak fluence (0.7 X 1019 n/cm2, E > 1.0 MeV) on the internal surface of the Zion Unit 1 vessel. Following the determination of the through-thickness chemical composition, Charpy impact, fracture toughness, tensile, and hardness testing are being performed to characterize the through-thickness mechanical properties of base metal and beltline-weld materials. In addition to mechanical properties, microstructural characterizations are being performed using various microstructural techniques, including Atom Probe Tomography, Small Angle Neutron Scattering, and Positron Annihilation Spectroscopy

Rosseel, T. M.↗
DOE OSTI2020

Frontiers in the Simulation of Dislocations

Dislocations play a vital role in the mechanical behavior of crystalline materials during deformation. To capture dislocation phenomena across all relevant scales, a multiscale modeling framework of plasticity has emerged, with the goal of reaching a quantitative understanding of microstructure–property relations, for instance, to predict the strength and toughness of metals and alloys for engineering applications. This review describes the state of the art of the major dislocation modeling techniques, and then discusses how recent progress can be leveraged to advance the frontiers in simulations of dislocations. Furthermore, the frontiers of dislocation modeling include opportunities to establish quantitative connections between the scales, validate models against experiments, and use data science methods (e.g., machine learning) to gain an understanding of and enhance the current predictive capabilities.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Composition and Manufacturing Effects on Electrical Conductivity of Li/FeS 2 Thermal Battery Cathodes

The electrical conductivity is key to the performance of thermal battery cathodes. In this work we present the effects of manufacturing and processing conditions on the electrical conductivity of Li/FeS2 thermal battery cathodes. Finite element simulations were used to compute the conductivity of three-dimensional microcomputed tomography cathode microstructures and compare results to experimental impedance spectroscopy measurements. A regression analysis reveals a predictive relationship between composition, processing conditions, and electrical conductivity; a trend which is largely erased after thermally-induced deformation. Moreover, the trend applies to both experimental and simulation results, although is not as apparent in simulations. This research is a step toward a more fundamental understanding of the effects of processing and composition on thermal battery component microstructure, properties, and performance.

25 ENERGY STORAGE↗
DOE OSTI2020

The Effects of Annealing after Equal Channel Angular Extrusion (ECAE) on Mechanical and Magnetic Properties of 49Fe-49Co-2V Alloy

Equal channel angular extrusion (ECAE) of 49Fe-49Co-2V, also known as Hiperco® 50A or Permendur-2V, greatly improves the strength and ductility of this alloy, while sacrificing soft magnetic performance. In this work, ECAE Hiperco specimens were subjected to post-ECAE annealing in order to improve soft magnetic properties. The microstructure, mechanical properties, and magnetic performance are summarized in this study. Annealing begins above 650°C and a steep decline in yield strength is observed for heat treatments between 700 and 840°C due to grain growth and the Hall-Petch effect, although some strength benefit is still observed in fully annealed ECAE material compared to conventionally processed bar. Soft magnetic properties were assessed through B-H hysteresis curves from which coercivity (Hc) values were extracted. Hc decreases rapidly with annealing above 650°C as well, i.e. improved soft magnetic behavior. The observed trend is attributed to annealing and grain growth in this temperature regime, which facilitates magnetic domain wall movement. The coercivity vs. grain size results generally follow the trend predicted in the literature. The magnetic behavior of annealed ECAE material compares favorably to conventional bar, possibly due to mild crystallographic texturing which enhances properties in the post-ECAE annealed material. Overall, this study highlights a definitive tradeoff between mechanical and magnetic properties brought about by post-ECAE annealing and grain growth.

annealing↗
DOE OSTI2011

Southern Regional Center for Lightweight Innovative Design

The three major objectives of this Phase III project are: To develop experimentally validated cradle-to-grave modeling and simulation tools to optimize automotive and truck components for lightweighting materials (aluminum, steel, and Mg alloys and polymer-based composites) with consideration of uncertainty to decrease weight and cost, yet increase the performance and safety in impact scenarios; To develop multiscale computational models that quantify microstructure-property relations by evaluating various length scales, from the atomic through component levels, for each step of the manufacturing process for vehicles; and To develop an integrated K-12 educational program to educate students on lightweighting designs and impact scenarios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

Fabrication of Tungsten-Rhenium Cladding materials via Spark Plasma Sintering for Ultra High Temperature Reactor Applications

This research will develop an optimized, cost-effective method for producing high-purity tungsten-rhenium alloyed fuel clad forms that are crucial for the development of a very high-temperature nuclear reactor. The study will provide critical insight into the fundamental behavior (processing-microstructure- property correlations) of W-Re alloys made using this new fabrication process comprising high-energy ball milling (HEBM) and spark plasma sintering (SPS). A broader goal is to re-establish the U.S. lead in the research field of refractory alloys, such as W-Re systems, with potential applications in very high-temperature nuclear reactors. An essential long-term goal for nuclear power is to develop the capability of operating nuclear reactors at temperatures in excess of 1,000K. This capability has applications in space exploration and some special terrestrial uses where high temperatures are needed in certain chemical or reforming processes. Refractory alloys have been identified as being capable of withstanding temperatures in excess of 1,000K and are considered critical for the development of ultra hightemperature reactors. Tungsten alloys are known to possess extraordinary properties, such as excellent high-temperature capability, including the ability to resist leakage of fissile materials when used as a fuel clad. However, there are difficulties with the development of refractory alloys: 1) lack of basic experimental data on thermodynamics and mechanical and physical properties, and 2) challenges associated with processing these alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Characterization of LWRS Hybrid SiC-CMC-Zircaloy-4 Fuel Cladding after Gamma Irradiation

The purpose of the gamma irradiation tests conducted at the Idaho National Laboratory (INL) was to obtain a better understanding of chemical interactions and potential changes in microstructural properties of a mock-up hybrid nuclear fuel cladding rodlet design (unfueled) in a simulated PWR water environment under irradiation conditions. The hybrid fuel rodlet design is being investigated under the Light Water Reactor Sustainability (LWRS) program for further development and testing of one of the possible advanced LWR nuclear fuel cladding designs. The gamma irradiation tests were performed in preparation for neutron irradiation tests planned for a silicon carbide (SiC) ceramic matrix composite (CMC) zircaloy-4 (Zr-4) hybrid fuel rodlet that may be tested in the INL Advanced Test Reactor (ATR) if the design is selected for further development and testing

22 GENERAL STUDIES OF NUCLEAR REACTORS↗