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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Evaluation of AGR-3/4 In-pile Silver Release Predictions Against Post-Irradiation Examination Measurements

Fuel performance modeling codes that accurately predict the transport of radionuclides in high-temperature gas-cooled reactors that utilize tristructural isotopic (TRISO) fuel particles are an important aspect of reactor safety analyses. One objective of the Advanced Gas Reactor (AGR)-3/4 experiment was to assess the transport of fission products through fuel particles and their subsequent release into the compact matrix and structural graphite materials. This was accomplished by irradiating uranium oxycarbide (UCO) driver fuel particles and designed-to-fail (DTF) particles to serve as known sources of fission products. The fission product of particular interest when it comes to such transport is silver (Ag-110 m), as it has a 250-day half-life and has relatively high mobility in the TRISO coating layers. Furthermore, to assess the current modeling capabilities and diffusion parameters employed in the fuel performance codes PARFUME and BISON, the fractional release of silver release predicted by the two codes were compared against post-irradiation examination measurements from the AGR-3/4 experiment.

AGR-3/4 Experiment↗
DOE OSTI2013

Diffusion mediated agglomeration of CdS nanoparticles via Langmuir–Blodgett technique

Graphical abstract: - Highlights: • Diffusion mediated agglomeration of CdS nanoparticles are discussed. • Formation of CdS nanoparticles are confirmed by the change of chain length in XRD. • AFM shows the agglomeration of particles with a film swelling of about 5 Å. • UV–vis absorbance suggests that the grown particles show quantum confinement. • Hexagonal form of particle was confirmed by UV–vis reflectivity. - Abstract: We have reported a diffusion mediated agglomeration of cadmium sulphide (CdS) nanoparticles within cadmium arachidate (CdA{sub 2}) film matrix. The structural morphology and formation of CdS nanoparticles are characterized by X-ray diffraction (XRD), X-ray reflectivity (XRR), atomic force microscopy (AFM) and ultraviolet-visible spectroscopy techniques. X-ray diffraction (XRD) results show a change in bilayer difference from 53.04 Å to 43 Å after the sulphidation. An epitaxial growth of the films by ∼5 Å after sulphidation is confirmed from atomic force microscopy studies. The particle size calculated form UV–vis absorption edges are found to be varying from 2.6 nm to 3.3 nm for the different layers. A lateral dimension of 72–80 nm from AFM measurements and a size of 2.6–3.3 nm have confirmed one side flat pseudo two-dimensional disk-like nanoparticles. UV–vis reflectivity peak at E{sub 1} (A) confirms the formation of hexagonal CdS nanoparticles along the c-axis.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Carbon nanotube based pressure sensor for flexible electronics

Highlights: • The electromechanical change of vertically aligned carbon nanotubes. • Fabrication of CNT field-effect transistor on flexible substrate. • CNT based FET integrated active pressure sensor. • The integrated device yields an increase in the source-drain current under pressure. - Abstract: A pressure sensor was developed based on an arrangement of vertically aligned carbon nanotubes (VACNTs) supported by a polydimethylsiloxane (PDMS) matrix. The VACNTs embedded in the PDMS matrix were structurally flexible and provided repeated sensing operation due to the high elasticities of both the polymer and the carbon nanotubes (CNTs). The conductance increased in the presence of a loading pressure, which compressed the material and induced contact between neighboring CNTs, thereby producing a dense current path and better CNT/metal contacts. To achieve flexible functional electronics, VACNTs based pressure sensor was integrated with field-effect transistor, which is fabricated using sprayed semiconducting carbon nanotubes on plastic substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Sol–gel synthesis, structure and luminescence properties of Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} phosphors

Graphical abstract: The phosphor powders of Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} were prepared by sol–gel method. The dependence of luminescence intensity on the Eu{sup 3+} concentration was investigated. - Highlights: • We synthesize Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} phosphors by the sol–gel method. • The effect of temperature on the crystallinity and morphology is investigated. • The phosphor presents an intense CT band in near UV range (370–410 nm). • The concentration quenching mechanism is the exchange interaction. - Abstract: Double-perovskite Ba{sub 2}Zn{sub 1−x}MoO{sub 6}:xEu{sup 3+} (x = 0, 0.02, 0.04, 0.06, 0.08, 0.1) orange–red emitting phosphors were synthesized by using the sol–gel method. The crystalline structure and photoluminescence properties of the phosphors were investigated. The X-ray diffraction (XRD) patterns indicate that the structure of matrix Ba{sub 2}ZnMoO{sub 6} is cubic double-perovskite with space group Fm-3m. The Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} phosphors present an intense broad charge transfer (CT) band absorption in near UV range (370–410 nm), which attributes to the charge transfer state of MoO{sub 6}, and performs orange–red emission of Eu{sup 3+} ({sup 5}D{sub 0} → {sup 7}F{sub 1} transition) at around 596 nm. A low concentration quenching occurs in Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} and the optimal doping concentration is about 6 mol%. The Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} phosphors are considered to be a promising orange–red emitting phosphor for near ultraviolet GaN-based white light emitting diode.

36 MATERIALS SCIENCE↗
DOE OSTI2026

In situ studies on heavy ion irradiation and partial oxidation induced stacking faults and nanograins in tungsten nanolaminates

Understanding the microstructural evolution of tungsten (W) under extreme irradiation environments is critical for its application as a plasma-facing material in future fusion reactors. Heavy ion irradiation study offers expedited damage accumulation and thus allows irradiation tolerance property prediction in a short period of time. In this study we explore in situ Kr ion irradiation of W nanolaminates at 800 °C and uncover a complex interplay of irradiation-induced transformations, including the emergence of stacking faults, nanograin formation, and generation of thickened grain boundaries defined as GB regions with the thickness of up to 15 nm. High-resolution transmission electron microscopy studies reveal the formation of extended planar faults and a metastable hexagonal close-packed (hcp) phase within the body-centered cubic (bcc) matrix. These structural transitions are facilitated by irradiation-induced shear. They are further stabilized by the presence of oxygen, which promotes stacking fault formation and vacancy trapping. Elevated temperatures enhance defect mobility, enabling dynamic recrystallization into ultrafine grains and the thickening of GBs due to defect absorption and impurity segregation. These findings unravel non-equilibrium phase transformation pathways in heavy ion irradiated W and highlight the critical role of impurity-mediated defect dynamics in governing its radiation tolerance properties.

Wazeer, Adil [Purdue University]↗
DOE OSTI2021

Single-Step Direct Laser Writing of Multimetal Oxygen Evolution Catalysts from Liquid Precursors

We investigate a laser direct-write method to synthesize and deposit metastable, mixed transition metal oxides and evaluate their performance as oxygen evolution reaction catalysts. This laser processing method enabled the rapid synthesis of diverse heterogeneous alloy and oxide catalysts directly from cost-effective solution precursors, including catalysts with a high density of nanocrystalline metal alloy inclusions within an amorphous oxide matrix. The nanoscale heterogenous structures of the synthesized catalysts were consistent with reactive force-field Monte Carlo calculations. By evaluating the impact of varying transition metal oxide composition ratios, we created a stable Fe 0.63 Co 0.19 Ni 0.18 O x /C catalyst with a Tafel slope of 38.23 mV dec -1 and overpotential of 247 mV, a performance similar to that of IrO 2 . Synthesized Fe 0.63 Co 0.19 Ni 0.18 O x /C and Fe 0.14 Co 0.46 Ni 0.40 O x /C catalysts were experimentally compared in terms of catalytic performance and structural characteristics to determine that higher iron content and a less crystalline structure in the secondary matrix decreases the charge transfer resistance and thus is beneficial for electrocatalytic activity. Furthermore, this conclusion is supported by density-functional theory calculations showing distorted active sites in ternary metal catalysts are key for lowering overpotentials for the oxygen evolution reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Spin and phonon anomalies in epitaxial self-assembled CoFe{sub 2}O{sub 4}-BaTiO{sub 3} multiferroic nanostructures

Temperature dependent magnetic and phonon anomalies in epitaxial self-assembled CoFe{sub 2}O{sub 4} (CFO) rods embedded in BaTiO{sub 3} (BTO) matrix nanostructures were investigated. The temperature dependence of A{sub 1}(2TO) phonon frequency of BTO indicates that the BTO matrix experiences structural transformations. The lattice strain produced during the structural transformations drives spin reorientation in CFO rods, resulting in anomalous changes of magnetization. Through correlating the phonon anomalies with the increase of in-plane spin ordering, we show the spin-phonon coupling induces the softening of A{sub 1g} and A{sub 1}(2TO) phonons. It suggests that spin strongly couples with lattice strain and phonons in this nanostructure.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2012

Architecture for interoperable software in biology

Understanding biological complexity demands a combination of high-throughput data and interdisciplinary skills. One way to bring to bear the necessary combination of data types and expertise is by encapsulating domain knowledge in software and composing that software to create a customized data analysis environment. To this end, simple flexible strategies are needed for interconnecting heterogeneous software tools and enabling data exchange between them. Drawing on our own work and that of others, we present several strategies for interoperability and their consequences, in particular, a set of simple data structures—list, matrix, network, table and tuple—that have proven sufficient to achieve a high degree of interoperability. We provide a few guidelines for the development of future software that will function as part of an interoperable community of software tools for biological data analysis and visualization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

LDA + $U_{sc}$ calculations of phase relations in FeO

Using the LDA + $U_{sc}$ method, we present calculation phase relations of iron monoxides involving five polytypes in multiple spin-state configurations. In this work, the Hubbard parameter $\textit{U}$ is determined self-consistently simultaneously with the occupation matrix and structures at arbitrary pressures. The Hubbard parameter strongly depends on pressure, structure, and spin state. Comparison with experimental structural data indicates the LDA + $U_{sc}$ can predict structure, compression curves, phase relations, and transition pressures very well for the insulating $\textit{B}$1 and $\textit{iB}$8 states. However, it requires additional calculations using the Mermin functional that includes the electronic entropic contribution to the free energy to obtain an $\textit{nB}$8 metallic state and a consistent $\textit{iB}$8 to $\textit{nB}$8 insulator to metal transition pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Lithium-Ion Battery Life Model with Electrode Cracking and Early-Life Break-in Processes

This paper develops a physically justified reduced-order capacity fade model from accelerated calendar- and cycle-aging data for 32 lithium-ion (Li-ion) graphite/nickel-manganese-cobalt (NMC) cells. The large data set reveals temperature-, charge C-rate-, depth-of-discharge-, and state of charge (SOC)-dependent degradation patterns that would be unobserved in a smaller test matrix. Model structure is informed by incremental capacity analysis that shows loss of lithium inventory and cathode-material loss as the dominant capacity fade mechanisms. The model includes terms attributable to solid-electrolyte interface (SEI) growth, electrode cracking, cycling-driven acceleration of SEI growth, and "break-in" mechanisms that slightly decrease or increase available Li inventory early in life. The study explores what mathematical couplings of these mechanisms best describe calendar aging, cycle aging, and mixed calendar/cycle aging. Various approaches are discussed for extracting relevant stress factors from complex cycling profiles to predict lifetime during real-world battery loads using models trained on constant-current laboratory test results. The complexity of the present human-driven model identification process motivates future work in machine learning to more widely search and statistically discern the optimal model that correctly extrapolates capacity fade based on physical knowledge.

25 ENERGY STORAGE↗
DOE OSTI2014

Non-Invasive Early Detection and Molecular Analysis of Low X-ray Dose Effects in the Lens

This is the Final Progress Report for DOE-funded research project DE-PS02-08ER08-01 titled “Non-Invasive Early Detection and Molecular Analysis of Low X-ray Dose Effects in the Lens”. The project focuses on the effects of low-linear energy transfer (LET) radiation on the ocular lens. The lens is an exquisitely radiosensitive tissue with a highly-ordered molecular structure that is amenable to non-invasive optical study from the periphery. These merits point to the lens as an ideal target for laser-based molecular biodosimetry (MBD). Following exposure to different types of ionizing radiations, the lens demonstrates molecular changes (e.g., oxidation, racemization, crosslinkage, truncation, aggregation, etc.) that impact the structure and function of the long-lived proteins in the cytosol of lens fiber cells. The vast majority of proteins in the lens comprise the highly-ordered crystallins. These highly conserved lens proteins are amongst the most concentrated and stable in the body. Once synthesized, the crystallins are retained in the fiber cell cytoplasm for life. Taken together, these properties point to the lens as an ideal system for quantitative in vivo MBD assessment using quasi-elastic light scattering (QLS) analysis. In this project, we deploy a purpose-designed non-invasive infrared laser QLS instrument as a quantitative tool for longitudinal assessment of pre-cataractous molecular changes in the lenses of living mice exposed to low-dose low-LET radiation compared to non-irradiated sham controls. We hypothesize that radiation exposure will induce dose-dependent changes in the molecular structure of matrix proteins in the lens. Mechanistic assays to ascertain radiation-induced molecular changes in the lens focus on protein aggregation and gene/protein expression patterns. We anticipate that this study will contribute to our understanding of early molecular changes associated with radiation-induced tissue pathology. This study also affords potential for translational development of molecular biodosimetry instrumentation to assess human exposure to mixed radiation fields.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2015

AGR-3/4 Final Data Qualification Report for ATR Cycles 151A through 155B-1

This report provides the qualification status of experimental data for the entire Advanced Gas Reactor 3/4 (AGR 3/4) fuel irradiation. AGR-3/4 is the third in a series of planned irradiation experiments conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) for the AGR Fuel Development and Qualification Program, which supports development of the advanced reactor technology under the INL ART Technology Development Office (TDO). The main objective of AGR-3/4 irradiation is to provide a known source of fission products for subsequent transport through compact matrix and structural graphite materials due to the presence of designed-to-fail fuel particles. Full power irradiation of the AGR 3/4 test began on December 14, 2011 (ATR Cycle 151A), and was completed on April 12, 2014 (end of ATR Cycle 155B) after 369.1 effective full power days of irradiation. The AGR-3/4 test was in the reactor core for eight of the ten ATR cycles between 151A and 155B. During the unplanned outage cycle, 153A, the experiment was removed from the ATR northeast flux trap (NEFT) location and stored in the ATR canal. This was to prevent overheating of fuel compacts due to higher than normal ATR power during the subsequent Powered Axial Locator Mechanism cycle, 153B. The AGR 3/4 test was inserted back into the ATR NEFT location during the outage of ATR Cycle 154A on April 26, 2013. Therefore, the AGR-3/4 irradiation data received during these 2 cycles (153A and 153B) are irrelevant and their qualification status isnot included in this report. Additionally, during ATR Cycle 152A the ATR core ran at low power for a short enough duration that the irradiation data are not used for physics and thermal calculations. However, the qualification status of irradiation data for this cycle is still covered in this report. As a result, this report includes data from 8 ATR Cycles: 151A, 151B, 152A, 152B, 154A, 154B, 155A, and 155B, as recorded in the Nuclear Data Management and Analysis System (NDMAS). The AGR 3/4 data streams addressed in this report include thermocouple (TC) temperatures, sweep gas data (flow rates, pressure, and moisture content), and Fission Product Monitoring System (FPMS) data (release rates, release to birth rate ratios [R/Bs], and particle failure counts) for each of the twelve capsules in the AGR 3/4 experiment. During Outage Cycle 155A, fourteen flow meters were installed downstream from fourteen FPMS monitors to measure flows from the monitors; qualification status of these data are also included in the report. The final data qualification status for these data streams is determined by a Data Review Committee (DRC) composed of AGR technical leads, Sitewide Quality Assurance (QA), and NDMAS analysts. For ATR Cycles 151A through 154B, the DRC convened on February 12, 2014, reviewed the data acquisition process, and considered whether the data met the requirements for data collection as specified in QA approved INL ART TDO data collection plans. The DRC also examined the results of NDMAS data testing and statistical analyses, and confirmed the qualification status of the data as given in this report. The qualification status of AGR-3/4 irradiation data during the first six cycles were previously reported in INL/EXT-14-31186 document. This report presents data qualification status for the entire AGR-3/4 irradiation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

AGR 3/4 Irradiation Test Final As Run Report

Several fuel and material irradiation experiments have been planned for the Idaho National Laboratory Advanced Reactor Technologies Technology Development Office Advanced Gas Reactor Fuel Development and Qualification Program (referred to as the INL ART TDO/AGR fuel program hereafter), which supports the development and qualification of tristructural-isotropic (TRISO) coated particle fuel for use in HTGRs. The goals of these experiments are to provide irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, support development and validation of fuel performance and fission product transport models and codes, and provide irradiated fuel and materials for post irradiation examination and safety testing (INL 05/2015). AGR-3/4 combined the third and fourth in this series of planned experiments to test TRISO coated low enriched uranium (LEU) oxycarbide fuel. This combined experiment was intended to support the refinement of fission product transport models and to assess the effects of sweep gas impurities on fuel performance and fission product transport by irradiating designed-to-fail fuel particles and by measuring subsequent fission metal transport in fuel-compact matrix material and fuel-element graphite. The AGR 3/4 fuel test was successful in irradiating the fuel compacts to the burnup and fast fluence target ranges, considering the experiment was terminated short of its initial 400 EFPD target (Collin 2015). Out of the 48 AGR-3/4 compacts, 42 achieved the specified burnup of at least 6% fissions per initial heavy-metal atom (FIMA). Three capsules had a maximum fuel compact average burnup < 10% FIMA, one more than originally specified, and the maximum fuel compact average burnup was <19% FIMA for the remaining capsules, as specified. Fast neutron fluence fell in the expected range of 1.0 to 5.5×1025 n/m2 (E >0.18 MeV) for all compacts. In addition, the AGR-3/4 experiment was globally successful in keeping the temperature in the twelve capsules relatively flat in a range of temperatures suitable for the measurement of fission product diffusion in compact matrix and structural graphite materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

AGR 3/4 Irradiation Test Final As Run Report, Revision 1

Several fuel and material irradiation experiments have been planned for the Idaho National Laboratory Advanced Reactor Technologies Technology Development Office Advanced Gas Reactor Fuel Development and Qualification Program (referred to as the INL ART TDO/AGR fuel program hereafter), which supports the development and qualification of tristructural-isotropic (TRISO) coated particle fuel for use in HTGRs. The goals of these experiments are to provide irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, support development and validation of fuel performance and fission product transport models and codes, and provide irradiated fuel and materials for post irradiation examination and safety testing (INL 05/2015). AGR-3/4 combined the third and fourth in this series of planned experiments to test TRISO coated low enriched uranium (LEU) oxycarbide fuel. This combined experiment was intended to support the refinement of fission product transport models and to assess the effects of sweep gas impurities on fuel performance and fission product transport by irradiating designed-to-fail fuel particles and by measuring subsequent fission metal transport in fuel-compact matrix material and fuel-element graphite. The AGR 3/4 fuel test was successful in irradiating the fuel compacts to the burnup and fast fluence target ranges, considering the experiment was terminated short of its initial 400 EFPD target (Collin 2015). Out of the 48 AGR-3/4 compacts, 42 achieved the specified burnup of at least 6% fissions per initial heavy-metal atom (FIMA). Three capsules had a maximum fuel compact average burnup < 10% FIMA, one more than originally specified, and the maximum fuel compact average burnup was <19% FIMA for the remaining capsules, as specified. Fast neutron fluence fell in the expected range of 1.0 to 5.5 × 10 25 n/m 2 (E >0.18 MeV) for all compacts. In addition, the AGR-3/4 experiment was globally successful in keeping the temperature in the twelve capsules relatively flat in a range of temperatures suitable for the measurement of fission product diffusion in compact matrix and structural graphite materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗