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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Automated Direct Perturbation Calculations with SCALE TSUNAMI [Abstract]

In nuclear criticality safety analysis, the sensitivity of the eigenvalue keff to uncertainties in nuclear data and its evaluation are crucial. The TSUNAMI sequences within the SCALE code system offer users various options with both multigroup (MG) and continuous-energy (CE) 3D Monte Carlo (MC) transport capabilities for calculating keff sensitivity coefficients and storing them in a sensitivity data file (SDF). Each methodology available in TSUNAMI offers distinct advantages and limitations, and its effectiveness can vary based on the specific problem being solved. As a best practice, practitioners typically use the direct perturbation (DP) method as a confirmatory step alongside their sensitivity calculations to verify the accuracy of the sensitivity data generated. In this process, DP calculations are usually performed on select nuclides, those considered most important for validating their total sensitivities. However, because of code limitations, analysts use a workaround method when conducting DP calculations for a single nuclide: rather than perturbing the nuclide's microscopic cross section, an equivalent number density for this nuclide is calculated to reflect the effect of a change in the macroscopic cross section due to a perturbation in the microscopic cross section. The current approach requires rerunning the CSAS criticality calculation several times with model changes. Although this method can yield results with acceptable accuracy, it is labor-intensive and prone to errors.

AZURE: SAMMY↗
DOE OSTI2024

Destructive Examination Protocol for 3013-Container-Package Storing Plutonium-Bearing Materials

The 3013-container-package consists of a convenience, inner and outer container and is used for long-term storage of plutonium-bearing materials. A destructive examination (DE) protocol has been developed to examine the container package visually and with microscopic aid to find any corrosion conditions that could result in the loss of the integrity of the container package over its lifetime. The DE protocol contains three main steps: initial container examination, helium (He) leak testing, and detailed imaging and analysis of the inner container closure weld region (ICCWR). The ICCWR has been determined to be bounding, defined as exhibiting worst case conditions for stress corrosion cracking (SCC) of the inner container. To assess SCC in the ICCWR, the inner container lid is cut into quarters and the weld and He-leak testing gasket are removed. Then a citric acid wash is performed to remove adherent chlorides from the ICCWR. The wash is then sent for analysis to determine the concentration of chlorides in the ICCWR. While the analysis for chloride concentration is being performed, the quarter sections are further sectioned into 1/8th subsections by cutting each section in half. These subsections are washed using nitric acid to remove corrosion products. Then each subsection is imaged using a Wide Angle 3-D Measurement System (WAMS). After analysis of microscope images for potential SCC, additional imaging can be performed, including subsurface imaging. After review, a determination is made of whether the container integrity may potentially affect the safe storage of the material.

container↗
DOE OSTI2020

Versatile compact heater design for in situ nano-tomography by transmission X-ray microscopy

A versatile, compact heater designed at National Synchrotron Light Source-II for in situ X-ray nano-imaging in a full-field transmission X-ray microscope is presented. Heater design for nano-imaging is challenging, combining tight spatial constraints with stringent design requirements for the temperature range and stability. Finite-element modeling and analytical calculations were used to determine the heater design parameters. Performance tests demonstrated reliable and stable performance, including maintaining the exterior casing close to room temperature while the heater is operating at above 1100°C, a homogenous heating zone and small temperature fluctuations. Two scientific experiments are presented to demonstrate the heater capabilities: (i) in situ 3D nano-tomography including a study of metal dealloying in a liquid molten salt extreme environment, and (ii) a study of pore formation in icosahedral quasicrystals. The progression of structural changes in both studies were clearly resolved in 3D, showing that the new heater enables powerful capabilities to directly visualize and quantify 3D morphological evolution of materials under real conditions by X-ray nano-imaging at elevated temperature during synthesis, fabrication and operation processes. This heater design concept can be applied to other applications where a precise, compact heater design is required.

36 MATERIALS SCIENCE↗
DOE OSTI2021

RKKY Exchange Bias Mediated Ultrafast All-Optical Switching of a Ferromagnet

The discovery of ultrafast helicity-independent all-optical switching (HI-AOS), as well as picosecond all-electrical switching of a ferrimagnet, has inspired the ultrafast spintronics community to explore ultrafast switching of a ferromagnet to achieve practical ultrafast storage and memory devices. Two explored mechanisms of HI-AOS of a ferromagnet in ferromagnet-ferrimagnet heterostructure are: a) exploiting the indirect exchange coupling with and b) injection of non-local spin current originated from a switching ferrimagnet. Here, in this manuscript, exchange mediated HI-AOS of a Ruderman–Kittel–Kasuya–Yosida (RKKY) exchange coupled “[Co/Pt]-multilayers/Pt spacer/CoGd” heterostructure is demonstrated. The authors have measured layer-resolved static magnetic properties, single-shot HI-AOS, and magnetization dynamics of the ferromagnetic Co/Pt multilayers (MLs), that are ferromagnetically or antiferromagnetically coupled with ferrimagnetic CoGd layers. Time-resolved magnetization dynamics reveal a 3.5 ps switching time of the Co/Pt MLs, which is the fastest switching of a ferromagnet reported to date. Employing an extended microscopic three-temperature model, the temporal dynamics of the exchange coupled ferromagnet–ferrimagnet heterostructure are simulated, qualitatively and quantitatively explaining the experimental switching phenomena. This work experimentally as well as theoretically establishes the mechanism of exchange mediated all-optical switching of ferromagnet-ferrimagnet heterostructures, which can be integrated with a magnetic tunnel junction for efficient reading after ultrafast energy-efficient switching.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Top-Down Fabrication of Atomic Patterns in Twisted Bilayer Graphene

Atomic-scale engineering typically involves bottom-up approaches, leveraging parameters such as temperature, partial pressures, and chemical affinity to promote spontaneous arrangement of atoms. These parameters are applied globally, resulting in atomic-scale features scattered probabilistically throughout the material. In a top-down approach, different regions of the material are exposed to different parameters, resulting in structural changes varying on the scale of the resolution. In this work, the application of global and local parameters is combined in an aberration-corrected scanning transmission electron microscope (STEM) to demonstrate atomic-scale precision patterning of atoms in twisted bilayer graphene. The focused electron beam is used to define attachment points for foreign atoms through the controlled ejection of carbon atoms from the graphene lattice. The sample environment is staged with nearby source materials such that the sample temperature can induce migration of the source atoms across the sample surface. Under these conditions, the electron-beam (top-down) enables carbon atoms in the graphene to be replaced spontaneously by diffusing adatoms (bottom-up). Using image-based feedback control, arbitrary patterns of atoms and atom clusters are attached to the twisted bilayer graphene with limited human interaction. Finally, the role of substrate temperature on adatom and vacancy diffusion is explored by first-principles simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An insight into microscopy and analytical techniques for morphological, structural, chemical, and thermal characterization of cellulose

Cellulose obtained from plants is a bio-polysaccharide and the most abundant organic polymer on earth that has immense household and industrial applications. Hence, the characterization of cellulose is important for determining its appropriate applications. In this article, we review the characterization of cellulose morphology, surface topography using microscopic techniques including optical microscopy, transmission electron microscopy, scanning electron microscopy, and atomic force microscopy. Additionally, other physicochemical characteristics like crystallinity, chemical composition, and thermal properties are studied using techniques including X-ray diffraction, Fourier transform infrared, Raman spectroscopy, nuclear magnetic resonance, differential scanning calorimetry, and thermogravimetric analysis. This review may contribute to the development of using cellulose as a low-cost raw material with anticipated physicochemical properties.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

An extended numerical manifold method for unsaturated soil-water interaction analysis at micro-scale

To investigate unsaturated soil-water interaction at micro-scale, this work extends the numerical manifold method (NMM) by incorporating a soil-water coupling model considering specific capillary water distribution and capillary force calculation. The soil skeleton is constructed by a soil skeleton generation algorithm with random polygons. To more realistically capture the interaction between soil grains and capillary water, a capillary mechanics-based geometric algorithm is proposed to iteratively calculate the capillary water distribution. The capillary forces corresponding to the capillary water distribution are calculated based on the Young-Laplace equation. The proposed capillary water solving framework is first verified by reproducing the soil-water characteristic curve and the capillary water distribution of an ideal contact-disk model against analytical solutions. To further validate the ability of the capillary water solving framework to predict hydraulic behavior of the real soil, a laboratory test on the Toyoura sand is reproduced numerically. Then an ideal direct shear test is performed to further validate the two-way soil-water coupling procedure, in which a comparison between the numerical and analytical results regarding the shear strength and matric suction is presented. Finally, microscopic hydraulic and compression tests are conducted on two soil specimens with the same porosity and mean grain diameter but different uniformity coefficients. The results elucidate that the extended method is a potential tool to explore unsaturated soil behaviors at micro-scale.

58 GEOSCIENCES↗
DOE OSTI2019

In Situ Observation of Acicular Ferrite Nucleation and Growth at Different Cooling Rate in Ti-Zr Deoxidized Steel

The effects of cooling rate on acicular ferrite (AF) nucleation, growth, and inclusion characteristics in Ti-Zr deoxidation steel were studied by utilizing the high temperature confocal laser scanning microscope (HT-CLSM). The results indicated that with the increase of cooling rate, the ferrite start nucleation temperature decreased, and the difference of first nucleation temperature between AF and ferrite side plate (FSP) reduced. When the cooling rate increased to 10.0 °C/s, AF and FSP simultaneously nucleated at 564.5 °C. In addition, the AF actual growth rate rose with the increase of cooling rate and reached 30.13 µm/s at 10.0 °C/s cooling rate. The AF ratio in microstructure increased first and then decreased with the cooling rate increase and was up to the maximum 45.83 pct at 1.0 °C/s cooling rate. For inclusion characteristics, cooling rates had no obvious effect on inclusion types, but had a great influence on inclusions size distribution. With the cooling rate increase, the inclusion average diameter reduced, and diminished to 1.39 µm at 10.0 °C/s cooling rate. Finally, the AF nucleation on the Ti-Zr-Mn-O-S + TiN inclusion could be explained by the low lattice misfit between ferrite and TiN that precipitated on the Ti-Zr-Mn-O-S inclusion surface.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reduced-order modeling for efficient cross section library development in high-temperature gas reactor pebble-bed depletion analysis

Accurate modeling of running-in and equilibrium conditions in pebble-bed reactors (PBRs) requires precise microscopic multigroup neutron cross sections. In Griffin, deterministic neutronics calculations rely on multivariate interpolation over large cross section libraries, resulting in significant memory usage and performance bottlenecks. This work, together with a companion paper on Griffin integration, explores reduced-order models (ROMs) to replace interpolation with lightweight surrogates. Several ROM techniques are benchmarked, with deep neural networks (DNNs) demonstrating superior memory efficiency, scalability, and predictive accuracy. A total of 295 DNNs were trained to build a comprehensive isotope library, integrated into Griffin through a custom LibTorch interface for depletion analysis. Initial results demonstrate that DNN-based ROMs drastically reduce memory demands while preserving accuracy, enabling finer tabulations and additional state variables without overhead. In conclusion, the framework also supports online cross section generation and real-time DNN updates through transfer learning, improving fidelity by capturing self-shielding and evolving nuclide compositions during burnup.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Assessing Single-Source Reproducibility of Human Head Hair Peptide Profiling from Different Regions of the Scalp

Neither microscopical hair comparisons nor mitochondrial DNA sequencing alone, or together, constitutes a basis for personal identification. Due to these limitations, a complementary technique to compare questioned and known hair shafts was investigated. Recently, scientists from Lawrence Livermore National Laboratory's Forensic Science Center and other collaborators developed a peptide profiling technique, which can infer non-synonymous single nucleotide polymorphisms (SNPs) preserved in hair shaft proteins as single amino acid polymorphisms (SAPs). In this study, peptide profiling was evaluated to determine if it can meet forensic expectations when samples are in limited quantities with the possibility that hair samples collected from different areas of a single donor’s scalp (i.e., single source) might not exhibit the same SAP profile. The average dissimilarity, percent differences in SAP profiles within each source, ranged from 0% difference to 29%. This pilot study suggests that more work is needed before peptide profiling of hair can be considered for forensic comparisons.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Dolomites in hydrated fine-grained Antarctic micrometeorites: Effective tools for analyzing secondary processes

We report detailed transmission electron microscope (TEM) observations of carbonates from one hydrated fine-grained Antarctic micrometeorite (H-FgMM). These carbonates show the occurrence of complex chemical variations and microstructures that provide important evidence regarding the formation and evolution of rarely analyzed H-FgMMs. The chemical variations were identified at both micrometer and nanometer scales, indicating that these carbonates formed under localized fluid conditions that suggest a variable chemical microenvironment. Individual carbonates grew from isolated reservoirs of fluid. Moreover, these carbonates contain manganese amounts almost twice as high as those measured in CM chondrites but similar to those identified in CI chondrites. Their particular compositions indicate reducing and progressively evolving conditions in the fluid from which these carbonates precipitated, probably due to water consumption during phyllosilicates formation. In addition to the compositional variability, microstructural features are pervasive in these carbonates, similar to those described in heavily shocked meteorites indicating that these carbonates were probably modified during shock processes after their formation. Since carbonates are highly susceptible to shock metamorphism, we suggest that it is essential to investigate their structure in detail before interpreting the isotopic measurements related to the time of their formation. Additionally, associated with carbonates, ubiquitous phosphates were identified in the micrometeorite analyzed. Future studies of these mineral associations will provide us further insight into the formation and evolution of asteroids, especially since they were both identified in the surface materials of Ryugu and Bennu.

58 GEOSCIENCES↗
DOE OSTI2020

Slip delocalization and diffusion mediated carbide formation during fatigue of a nickel-base superalloy

Fatigue crack initiation at high temperatures occurs at microscopic fatigue shear bands that form near twin boundaries in polycrystalline nickel-base superalloys that contain minimal metallurgical defects. The associated dislocation sub-structure is complex and dependent on thermal and mechanical conditions. Here we show the formation of fine-scale carbide precipitates along these fatigue shear bands in a nickel-base superalloy during fatigue above 650 °C. The formation of carbide precipitates is studied using calculations of bulk and pipe diffusion. The contribution of pipe diffusion is observed to be critical in the formation of fine-scale carbides and occurs coincident with the delocalization of slip during fatigue.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Dislocation cross-slip in precipitation hardened Mg–Nd alloys

An integrated experimental characterization and molecular dynamics (MD) simulation approach was used to explore the dislocation-precipitate interactions in a dilute Magnesium–Neodymium (Mg–Nd) precipitation hardened alloy. In situ indentation in a transmission electron microscope (TEM) and postmortem TEM characterization of deformed samples and MD simulations revealed that basal < a > type dislocations interacted differently with β 1 (Mg 3 Nd) and β"(Mg 3-7 Nd) precipitates. For β" precipitates, the basal dislocations directly shear the precipitates. For β 1 precipitates, such shearing becomes much more difficult because it requires the creation of antiphase boundaries in the ordered lattice of β 1 precipitates. Screw dislocations were observed to cross-slip from basal to the prismatic plane, which could be parallel to the broad facet of β 1 precipitates. It is postulated that double cross-slip (basal to prismatic to basal) via the Hirsch mechanism may enable screw dislocations to overcome the β 1 precipitates. MD simulations also revealed that an edge dislocation is unable to bypass the precipitate via the generation of screw dislocation segments plus the double cross-slip mechanism. The edge dislocation can bow around the precipitate, and the segment that adopts a screw character can cross-slip to the prismatic plane but with increasing applied stress, cross-slips back to the original basal plane to continue glide via precipitate shearing. Finally, the implication of glide dislocation - β 1 -precipitate interaction mechanisms on the strength and ductility of β 1 precipitate dominant microstructures is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermodynamically consistent forward and reverse degrees of rate control in reversible reactions

The net rate of a composite reaction is the difference between the forward and reverse reaction rates, which are kinetically distinct despite sharing elementary reaction steps and therefore have different rate-controlling transition states and species. Thus, degrees of rate control defined to identify rate-controlling transition states and species for the net rate confound contributions from the forward and reverse reactions. Herein, the forward and reverse degrees of rate control are defined to independently quantify the extent that species and transition states control the forward and reverse rates in reversible reactions. These degrees of rate control are defined as the relative change in the forward and reverse reaction rates per k B T decrease in the standard-state molecular free energies of transition states and species, and they are related to experimentally measurable quantities such as steady-state fractional coverages, reaction orders, and energies and entropies of activation of the forward and reverse reaction rates. The forward/reverse degrees of rate control represent stoichiometric coefficients for species and transition states in an equilibrium between the apparent initial states and the apparent transition states of the apparent rate-controlling steps of forward and reverse overall reactions. At equilibrium, the apparent transition states for the forward reaction and reverse reaction converge, and thus the forward and reverse rate-controlling steps combine to form a single apparent rate-controlling step at equilibrium. Here, this apparent rate-controlling step is comprised of an apparent initial state, transition state, and final state, where the apparent final state of the forward reaction is the apparent initial state of the reverse reaction. The apparent rate-controlling step behaves identically to an elementary step reaction at equilibrium with a pseudo-mass-action rate function given by the transition-state-theory (TST) form rate function (Foley and Bhan, 2020) with a stoichiometric number equal to the affinity-averaged stoichiometric number, $\bar{σ}$ The ratio of the forward and reverse TST-form rate functions is identical to the overall thermodynamic equilibrium relation, consistent with the principles of microscopic reversibility and detailed balance at equilibrium.

42 ENGINEERING↗
DOE OSTI2021

Constraint and size effects in confined layer plasticity

Plane strain finite element analyses are used to model the experiments for a thin metal layer confined between elastic solids. Here, the thin metal layer undergoes elastic-plastic deformations, here modelled by strain gradient plasticity, while the rest of the solid deforms only elastically. Plane strain is assumed and finite strains are accounted for. The microscopic boundary condition at the band interface is initially taken to be zero plastic strain increment, but plastic straining at the interface is allowed when the plastic strain gradient at the interface has exceeded a critical value. When the narrow metal band is inclined 45° relative to the direction of compression of the solid simple shear develops in the band and predictions are rather similar to those of a one-dimensional analysis for an infinite band. For a band at 90° the elastic parts give significant constraint on plastic flow, the stress fields are non-uniform along the band and the average nominal compressive stress shows strong sensitivity to the layer thickness and to the width of the specimen. Remarkably good qualitative, and in some cases quantitative, agreement is found with the experimental observations. Considering also other band angles, both the average nominal shear and compressive stress show variations with the angle.

36 MATERIALS SCIENCE↗
DOE OSTI2025

In situ self-ion (Fe + ) irradiation of ODS-FeCrAl alloy fuel cladding materials with different Cr contents: The early stages of Cr-rich α’ phase precipitation

Oxide-dispersion-strengthened FeCrAl (ODS-FeCrAl) alloys are candidate accident-tolerant fuel cladding materials for light water reactors because they demonstrate satisfactory resistance to materials degradation effects such as high-temperature oxidation, radiation-induced swelling, and creep. Their perspective deployment to market is challenged, however, by their inherent susceptibility to irradiation embrittlement caused by the precipitation of the brittle Cr-rich α’ phase at relatively low temperatures (≤475 °C). This work used in situ self-ion irradiation (150 keV Fe + ) in a transmission electron microscope to elucidate the early stages of Cr-rich α’ phase precipitation in three candidate ODS-FeCrAl alloy fuel cladding materials with different Cr contents (10, 12, and 20 wt.%) and microstructures. The early stages of the process resulting in the precipitation of the Cr-rich α’ phase in these three ODS-FeCrAl alloys under Fe + irradiation were investigated at room temperature and 300 °C up to total fluences of 1.7 × 10 15 ions·cm -2 (2 dpa) and 3.4 × 10 15 ions·cm -2 (4 dpa), using three damage dose rates (5 × 10 –5 , 3.3 × 10 –4 , and 2 × 10 –3 dpa·s -1 ). Post-irradiation examination via scanning transmission electron microscopy, energy-dispersive X-ray spectroscopy and electron energy loss spectroscopy suggested that the precipitation of the Cr-rich α’ phase might be promoted by the phase separation of the alloy matrix into Cr-rich and Fe-rich regions. Interestingly, oxygen impurities segregated preferentially in the Cr-rich regions, possibly promoting the radiation-assisted formation of the Cr-rich α’ phase. α’ phase precipitation was more pronounced at room temperature when compared to 300 °C, and it was clearly promoted by the progressive increase in the Cr content of the ODS-FeCrAl alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A study on the creep behavior of alloy 709 using in-situ scanning electron microscopy

In this research, an experimental evaluation of creep properties of Alloy 709 in the temperature range of 750–850 °C was undertaken. Alloy 709 is a novel austenitic stainless steel with 20% Cr and 25% Ni by wt% that was developed for application in structural components of nuclear power plants. Creep rupture tests were conducted in an in-situ heating-loading and Scanning Electron Microscope (SEM) unit equipped with Electron Backscatter Diffraction (EBSD) detector and Energy Dispersive Spectroscopy (EDS). “Real-time” creep damage mechanisms of Alloy 709 at various stresses and temperatures using a flat, un-notched sample with continuously reducing cross-section is studied so that the failure and maximum creep damage occurred at the center of the sample where the in-situ SEM imaging could be focused. Accelerated creep tests at temperatures and stresses above service conditions were performed by employing multiple blocks of constant loads where the loads were increased once the sample attained constant creep rate, indicating a secondary creep regime. This technique ensures multiple data points can be obtained from the same test, saves the time required for an otherwise long-term creep test and usage of SEM. Further, Coincident Site Lattice (CSL) boundary maps were collected as control maps before testing, and the grain boundaries were observed during the creep test to understand the effect of grain boundary character on the creep damage mechanism. Void growth, grain boundary separation, and sliding were found to be the main creep mechanisms whose rate is dependent on stress and temperature. Failure mechanisms studied on the fracture surface using SEM fractography were correlated to the sample surface observations to create complementary information to better understand the underline creep mechanism of Alloy 709.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Surpassing the stiffness-extensibility trade-off of elastomers via mastering the hydrogen-bonding clusters

The current paradigm of elastomer design typically falls into the trade-off between stiffness and extensibility. With a few reports on circumventing this trade-off behavior, e.g., increasing Young's modulus without sacrificing extensibility, the design principles to achieve improvements in both stiffness and extensibility have rarely been demonstrated. Herein, with a model system, i.e., cross-linked polydimethylsiloxane (PDMS) network, we demonstrate two approaches that can surpass the stiffness-extensibility trade-off and provide significant improvement in both parameters. Such an achievement is realized by introducing rationally arranged hydrogen-bonding units, i.e., ureidopyrimidone (UPy), leading to simultaneously improved Young's modulus and extensibility up to 158 and 3 times, respectively. Based on the experimental results, we also propose a microscopic picture of network rearrangement during the stretching process. Moreover, using this picture, we further improved Young's modulus of the elastic network without affecting its extensibility through mastering the distribution/topology of UPy clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗