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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Indium hydroxide to oxide decomposition observed in one nanocrystal during in situ transmission electron microscopy studies

The high-resolution transmission electron microscopy (HR-TEM) is used to study, in situ, spatially resolved decomposition in individual nanocrystals of metal hydroxides and oxyhydroxides. This case study reports on the decomposition of indium hydroxide (c-In(OH){sub 3}) to bixbyite-type indium oxide (c-In{sub 2}O{sub 3}). The electron beam is focused onto a single cube-shaped In(OH){sub 3} crystal of {l_brace}100{r_brace} morphology with ca. 35 nm edge length and a sequence of HR-TEM images was recorded during electron beam irradiation. The frame-by-frame analysis of video sequences allows for the in situ, time-resolved observation of the shape and orientation of the transformed crystals, which in turn enables the evaluation of the kinetics of c-In{sub 2}O{sub 3} crystallization. Supplementary material (video of the transformation) related to this article can be found online at (10.1016/j.jssc.2012.09.022). After irradiation the shape of the parent cube-shaped crystal is preserved, however, its linear dimension (edge) is reduced by the factor 1.20. The corresponding spotted selected area electron diffraction (SAED) pattern representing zone [001] of c-In(OH){sub 3} is transformed to a diffuse strongly textured ring-like pattern of c-In{sub 2}O{sub 3} that indicates the transformed cube is no longer a single crystal but is disintegrated into individual c-In{sub 2}O{sub 3} domains with the size of about 5-10 nm. The induction time of approximately 15 s is estimated from the time-resolved Fourier transforms. The volume fraction of the transformed phase (c-In{sub 2}O{sub 3}), calculated from the shrinkage of the parent c-In(OH){sub 3} crystal in the recorded HR-TEM images, is used as a measure of the kinetics of c-In{sub 2}O{sub 3} crystallization within the framework of Avrami-Erofeev formalism. The Avrami exponent of {approx}3 is characteristic for a reaction mechanism with fast nucleation at the beginning of the reaction and subsequent three-dimensional growth of nuclei with a constant growth rate. The structural transformation path in reconstructive decomposition of c-In(OH){sub 3} to c-In{sub 2}O{sub 3} is discussed in terms of (i) the displacement of hydrogen atoms that lead to breaking the hydrogen bond between OH groups of [In(OH){sub 6}] octahedra and finally to their destabilization and (ii) transformation of the vertices-shared indium-oxygen octahedra in c-In(OH){sub 3} to vertices- and edge-shared octahedra in c-In{sub 2}O{sub 3}. - Graphical abstract: Frame-by-frame analysis of video sequences recorded of HR-TEM images reveals that a single cube-shaped In(OH){sub 3} nanocrystal with {l_brace}100{r_brace} morphology decomposes into bixbyite-type In{sub 2}O{sub 3} domains while being imaged. The mechanism of this decomposition is evaluated through the analysis of the structural relationship between initial (c-In(OH){sub 3}) and transformed (c-In{sub 2}O{sub 3}) phases and though the kinetics of the decomposition followed via the time-resolved shrinkage of the initial crystal of indium hydroxide. Highlights: Black-Right-Pointing-Pointer In-situ time-resolved High Resolution Transmission Electron Microscopy. Black-Right-Pointing-Pointer Crystallographic transformation path. Black-Right-Pointing-Pointer Kinetics of the decomposition in one nanocrystal.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Crystal structure, magnetic properties and bonding analysis of M 3 Pt 23 Ge 11 (M=Ca, Sr, Ba and Eu)

The properties of Pt-based materials can be intriguing due to the importance of spin-orbit coupling for Pt. Herein, we report four new phases with formulas M 3 Pt 23 Ge 11 (M ​= ​Ca, Sr, Ba and Eu), which adopt the same structure type as Ce3Pt23Si11. Magnetic susceptibility measurements indicate that none of the phases is superconducting above 1.8 ​K, while for Eu 3 Pt 23 Ge 11 ferromagnetic ordering is observed at ~ 3 ​K. The low Curie temperature for that material compared to that of Eu 3 Pt 23 Si 11 may be due to its larger Eu–Eu distance. One potential factor that destabilizes the structure of other rare-earth based M 3 Pt 23 Ge 11 is demonstrated through COHP calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modeling gas, hydrates, and slope stability on the U.S. Atlantic margin during Pleistocene glacial cycles

Changes in temperature and sea level can cause dissociation of methane hydrates in shallow marine sediments, leading to seafloor destabilization. Along the U.S. Atlantic margin, there exists a well-documented history of slope failure and numerous recorded occurrences of gas seeps. Several studies have linked slope failure in the region to gas seepage and hydrate dissociation driven by glacial-interglacial transitions, but this linkage has not been quantitatively demonstrated. Along the shelf edge, in an area where shallow methane gas seeps have been identified, we modeled methane gas and hydrate formation using a one-dimensional fluid flow model. Methane gas formation was modeled over the last 120,000 years to simulate a glacial-interglacial cycle. Here, we ran this model at 16,044 individual locations in the region between 29° N – 45° N and 82° W – 66° W at a resolution of 1 x 1 arcminutes, focusing specifically on water depths between 200 and 1000 m that bracket the seafloor outcrop of the base of the hydrate stability zone. Using historic temperature and pressure records from the last 120,000 years, sediment properties in the area, and factor of safety calculations, we found that hydrate dissociation alone is unlikely to cause sediment failure in the region, implying that an additional driving force would be necessary for failure to occur.

Hydrate dissociation↗
DOE OSTI2018

Numerical simulations of depressurization-induced gas production from an interbedded turbidite gas hydrate-bearing sedimentary section in the offshore India: Site NGHP-02-16 (Area-B)

The recent National Gas Hydrate Program Expedition 02 (NGHP-02) identified the existence of gas hydrate-bearing sand reservoirs at a number of sites in the offshore of India including Site NGHP-02-16 in Area-B of the Krishna-Godavari Basin. The architecture of that gas hydrate accumulation is characterized by thin, gas hydrate-bearing, high quality sand layers interbedded with mud layers within a turbidite sedimentary interval. The lowest gas hydrate-bearing layer contacting a thinly-interbedded saline aquifer designates the base of the gas hydrate stability zone (BGHSZ). The proximity of the BGHSZ and the average temperature around 20 °C make the reservoir a favorable target for hydrate destabilization by means of the depressurization method. The results of the reservoir simulations indicate high gas production potential from this marine gas hydrate deposit with manageable concomitant water production using a well completion design that hydraulically isolates layers with water-saturated sands. Using a detailed geological input model, the predicted cumulative gas rates reach ~3.1 × 10 4 m 3 /day (~1.1 MMscf/day) after 90 days of continuous depressurization and demonstrate sustained production rates ~3.0 × 10 4 m 3 /day (~1.0 MMscf/day) after 5 years of production. The interbedded nature of this gas hydrate occurrence promotes the development of horizontal dissociation interfaces between gas hydrate-bearing sand and mud layers. As a result, non-uniform gas production along the horizontal interfaces becomes a primary determinant of reservoir performance. Simulation cases have been executed to determine the impact of the uncertainty in in situ reservoir permeability and the manner in which intrinsic permeability dynamically changes during dissociation in response to the imposed effective stress increase. Here, the cases based on low initial effective permeability and high sensitivity of compaction to stress result in the least favorable production predictions.

58 GEOSCIENCES↗
DOE OSTI2013

Retained austenite thermal stability in a nanostructured bainitic steel

The unique microstructure of nanostructured bainite consists of very slender bainitic ferrite plates and high carbon retained austenite films. As a consequence, the reported properties are opening a wide range of different commercial uses. However, bainitic transformation follows the T{sub 0} criteria, i.e. the incomplete reaction phenomena, which means that the microstructure is not thermodynamically stable because the bainitic transformation stops well before austenite reaches an equilibrium carbon level. This article aims to study the different microstructural changes taking place when nanostructured bainite is destabilized by austempering for times well in excess of that strictly necessary to end the transformation. Results indicate that while bainitic ferrite seems unaware of the extended heat treatment, retained austenite exhibits a more receptive behavior to it. - Highlights: • Nanostructured bainitic steel is not thermodynamically stable. • Extensive austempering in these microstructures has not been reported before. • Precipitation of cementite particles is unavoidable at longer austempering times. • TEM, FEG-SEM and XRD analysis were used for microstructural characterization.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Dual-phase glassy/nanoscale icosahedral phase materials in Cu–Zr–Ti–Pd system alloys

The present work is devoted to an investigation of the formation kinetics, stability and homogeneity area of the nanoscale icosahedral phase formed on heating in the dual-phase glassy/quasicrystalline phase Cu–Zr–Ti–Pd alloys. The data obtained indicate that the Cu–Zr–Ti–Pd icosahedral phase is not a Cu-rich part of the compositional homogeneity area of the Zr–Cu–Pd one. Moreover, Ti, as well as Pd, is found to be an important element stabilizing quasicrystalline phase in the Cu–Zr–Ti–Pd alloys. The formation criteria for Cu- and Zr/Hf-based icosahedral phases are discussed based on the quasilattice constant to average atomic diameter ratio. Deviation from a certain ratio leads to destabilization of the icosahedral phase. By using the isothermal calorimetry traces transformation kinetics above and below the glass-transition region was analyzed. Some difference in the transformation kinetics above and below the glass-transition region allows us to suggest that possible structure changes occur upon glass-transition. - Highlights: • Formation kinetics, stability and homogeneity area of nanoscale icosahedral phase • Cu–Zr–Ti–Pd icosahedral phase is not a Cu-rich part of Zr–Cu–Pd one. • Ti, as well as Pd, is an important element stabilizing quasicrystalline phase. • Difference in transformation kinetics above and below glass-transition region.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of cryogenic temperatures and processing parameters on gradient-structure of a stainless steel treated by ultrasonic surface mechanical attrition treatment

Highlights: • Gradient microstructures made by SMAT are investigated for an austenitic 304 L steel. • Cryogenic shot peening reduces the surface roughness. • Cryogenic condition increases subsurface hardening by formation of additional martensite. • The maximum martensite fraction is always located at the subsurface. • Combination of parameters allow to tailor broad ranges of hardness and roughness. - Abstract: The beneficial effect of using cryogenic temperatures for the ultrasonic surface mechanical attrition treatment (SMAT) is depicted in the case of the 304 L austenitic stainless steel. The cryogenic temperatures induce an additional driving force for the formation of martensite at depth where the effect of shot peening tends to vanish, raising the subsurface hardness by 20 to 30%. The maximum amount of α′ martensite was always located within the subsurface. This is explained by different mechanisms operating at different stages during the SMAT process: (i) higher shear stresses at the subsurface due to the Hertzian contact stress, (ii) local heating due to the shot impacts and (iii) surface martensite destabilization when the microstructure enters the nanometric range. Consequently, the gradient structure formed by the SMAT superimposes different natures of gradients in terms of grain size and martensitic fraction. The steel being harder to deform at cryogenic temperatures, a significant decrease of the apparent surface roughness (down to 44%) is also obtained. An appropriate selection of processing parameters allows to tailor the surface towards a broad range of hardness and roughness values: 425 to 560 HV and 1.6 to 3.3 μm, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterization of Fuel Cladding Chemical Interaction on a High Burnup U-10Zr Metallic Fuel via Electron Energy Loss Spectroscopy Enhanced by Machine Learning

Fuel cladding chemical interaction (FCCI) is one of the main performance limiting factors for metallic nuclear fuels. The interaction destabilizes the martensitic microstructure and deteriorates mechanical properties of HT-9 cladding. The detection of low atomic number elements (Z<10) and overlapping of elemental peaks can be problematic in interpreting energy dispersive X-ray spectroscopy (EDS) data. Electron energy loss spectroscopy (EELS) provides precise elemental edge energy values and can detect elements with a low atomic number. This work utilizes EELS to study the distribution of lanthanides and light elements at the interaction region. The sample was prepared from the FCCI region of a U-10Zr (wt.%) solid fuel with HT-9 cladding, irradiated to a burnup of 13.2 at.%. Processing the EELS data included three major steps: 1) enhance the signal to noise ratio by denoising the spectrum with principal component analysis (PCA) method, removing background and performing deconvolution; 2) identify chemical elements with core energy loss edges; 3) confirm different phases using a popular machine learning method, K-means. This work presents qualitative assessment of lanthanides and light elements like carbon (C) and oxygen (O) enhanced by the application of machine learning algorithms. By comparing with EDS elemental maps, EELS provides higher resolution chemical maps, reveals the distribution of carbon at the interaction region supporting the formation of zirconium carbide, a rind-like microstructure feature that was proposed to mitigate the chemical interaction. Furthermore, the plasmon peak map was also found to indicate an energy shift associated with the formation of phases/compounds. K-means clustering method was used on the processed electron energy loss (EEL) spectrum to automatically reveal different phases. The resulting clustered maps from K-means clustering align well with elemental maps confirming certain phases, especially Fe-Ce and Zr-C, in the FCCI region.

EELS↗
DOE OSTI2026

Thermal cycling-driven microstructural changes of eutectic Al–Si phase change materials in SS304 containers revealed by multi-modal imaging

Aluminum-based Al–Si alloys are widely used as phase change materials (PCMs) in thermal energy storage (TES) systems owing to their high volumetric latent heat and superior thermal conductivity. However, their long-term reliability is limited by degradation processes that remain insufficiently understood. In this work, we employ a multimodal, correlative characterization framework to systematically resolve the degradation behavior of eutectic Al–Si PCMs in contact with SS304 containers under repeated thermal cycling. By integrating high-resolution electron microscopy, three-dimensional X-ray fluorescence (3D XRF) imaging, and differential scanning calorimetry (DSC), we directly link spatially resolved compositional and microstructural evolution to changes in thermophysical properties. The correlative analysis reveals that elemental leaching of Fe, Cr, and Ni from the stainless-steel container into the PCM drives the formation of intermetallic compounds (IMCs) both at the interface and within the bulk PCM, leading to pronounced compositional heterogeneity. These interfacial reactions and diffusion-induced transformations progressively destabilize the Al–Si eutectic, reducing the effective phase-transforming fraction. Consistent with these observations, DSC measurements show a decrease in melting temperature and latent heat of fusion with thermal cycling. These results underscore the critical influence of interfacial reactions and material compatibility on the stability, durability, and overall performance of Al–Si-based TES systems.

25 ENERGY STORAGE↗
DOE OSTI2018

Magnetic transition and defect characteristics of multiferroic CuFe1-xGaxO2 studied by positron annihilation spectra

Highlights: • A systematic investigation of the effect of Ga doping on the structural and magnetic properties of CuFeO{sub 2}. • Crystal defects are determined by positron annihilation spectroscopy. • There is a good correlation between antiferromagnetic stability and lattice distortion. • Crystal defects and interlayer ions in polycrystalline samples influence the magnetic properties. - Abstract: The structure, crystal defects and magnetic properties of multiferroic CuFe{sub 1-x}Ga{sub x}O{sub 2} (CFGO; x = 0–0.07) ceramics are studied systemically. Substitution of Ga{sup 3+} for Fe{sup 3+} shrinks the CFO lattice, decreases the particle size, and causes small liquid phase formation. Positron annihilation spectroscopy demonstrates that all samples contain a considerable number of vacancy defects. The overall defect environment is virtually unaffected by Ga{sup 3+} doping, but the open-volume of the defects is redistributed. Magnetic susceptibility measurements show that Ga doping enhances the strength of the antiferromagnetic interaction between high-spin Fe{sup 3+} ions as a result of reduced magnetic correlation length, but decrease the stability of the antiferromagnetic phase. The antiferromagnetic transition temperature, T{sub N2}, decreases from 11 K for x = 0 to 8 K for x = 0.07, and this destabilization of the antiferromagnetic phase is closely related to the crystal structure and defects, which are discussed in detail in this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Precipitation of gadolinium from magnetic resonance imaging contrast agents may be the Brass tacks of toxicity

The formation of gadolinium-rich nanoparticles in multiple tissues from intravenous magnetic resonance imaging contrast agents may be the initial step in rare earth metallosis. The mechanism of gadolinium-induced diseases is poorly understood, as is how these characteristic nanoparticles are formed. Gadolinium deposition has been observed with all magnetic resonance imaging contrast agent brands. Aside from endogenous metals and acidic conditions, little attention has been paid to the role of the biological milieu in the degradation of magnetic resonance imaging contrast agents into nanoparticles. Herein, we describe the decomposition of the commercial magnetic resonance imaging contrast agents Omniscan and Dotarem in the presence of oxalic acid, a well-known endogenous compound. Omniscan dechelated rapidly and preluded measurement by the means available, while Dotarem underwent a two-step decomposition process. The decomposition of both magnetic resonance imaging contrast agents by oxalic acid formed gadolinium oxalate (Gd 2 [C 2 O 4 ] 3 , Gd 2 Ox 3 ). Furthermore, both observed steps of the Dotarem reaction involved the associative addition of oxalic acid. Adding protein (bovine serum albumin) increased the rate of dechelation. Displacement reactions could occur at lysosomal pH. Through these studies, we have demonstrated that magnetic resonance imaging contrast agents can be dissociated by endogenous molecules, thus illustrating a metric by which gadolinium-based contrast agents (GBCAs) might be destabilized in vivo.

Gadodiamide↗
DOE OSTI2023

Dose and dose rate effects on the microstructural and mechanical stability of long-range ordered precipitates in Inconel 718

Nickel-based alloys offer exceptional mechanical properties and corrosion resistance for various applications in extreme environments such as high neutron flux, temperature, and stress. Precipitates, resulting from thermal treatments, increase the strength and creep resistance of these alloys. Here, heavy ion irradiation is shown to destabilize the γ' and γ" precipitates in Inconel 718 nickel-based alloy by disordering and dissolution processes. Transmission electron microscopy and atom probe tomography reveal that the disordering and dissolution rates of the precipitates are proportional to both irradiation dose and dose rate. Irradiation induced disordering occurs at a higher rate than the dissolution. From analyzing the hardening contributions, microscale mechanical results suggest radiation-induced disordering is responsible for the majority of the softening response at low dose. In addition, low dose radiation-induced disordering results in strain localization and is believed to be the primary cause for the drastic degradation of uniform elongation and toughness in irradiated Inconel 718.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Additive manufacturing of a metastable high entropy alloy: Metastability engineered microstructural control via process variable driven elemental segregation

Compositional paradigm shift in high entropy alloys (HEAs) provided new opportunities for microstructural engineering, whereas process control during laser powder bed fusion (LPBF) additive manufacturing (AM) enable fine microstructure tailoring. Metastability engineering in transformation induced plasticity (TRIP) HEAs by addition of minor alloying elements is an attractive strategy for fine microstructural tuning. This study explored in detail the microstructural evolution during LPBF AM of a metastable Fe 40 Mn 20 Co 20 Cr 15 Si 5 (at.%) dual phase HEA (CS-HEA). LPBF processing window for CS-HEA was established based on quantitative analysis and experiments. Based on melt pool overlap lack of fusion pores were observed at lower energy densities (J) of $\textit{J}$ ≤ 31.25 J/mm 3 and key-hole formation by melt pool destabilization in case of $\textit{J}$ ≥ 75 J/mm 3 . The microstructure of CS-HEA consists of metastable FCC-γ and HCP-ε phases; LPBF process parameters governed the final phase fraction in the alloy which has been correlated to metastability alteration of the high temperature γ phase. Final microstructural engineering was devised by LPBF process control which enabled cooling rate manipulation to guide Mn and Si segregation at the cell boundaries, thereby controlling the matrix metastability and final phase fraction. Additionally, high resolution transmission electron microscopy (TEM) revealed disparity in stacking fault morphology in CS-HEA with LPBF process variable alterations associated with local variations in chemical composition and stacking fault energy. Further, the phase evolution with process parameters also affected the nanomechanical behavior of the alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Microstructural stability of tantalum-alloyed ferritic-martensitic steel with neutron irradiation to 7.4 dpa at ~490 °C

Specimens of a reduced-activation ferritic-martensitic steel, called CNA1, were irradiated to 7.4 displacements per atom at ~490 °C in the High Flux Isotope Reactor. Vickers hardness and tensile properties revealed consistent softening that is attributed to some recovery during irradiation, with reduced laths and dislocation density. Detailed microstructural characterization by transmission electron microscopy and energy dispersive x-ray spectroscopy showed radiation-induced dislocation loops, few cavities, and slight dissolution of M 23 C 6 and MX precipitates. Partial amorphization was only observed in M 23 C 6 precipitated in matrix. Transmutation somewhat destabilized M 23 C 6 and MX, with a stronger effect on the later one by noticeable depletion of Ta with enriched W, which is consistent with the transmutation calculations. The microstructural evolution and associated strength changes were discussed with the assistance of computational thermodynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of inlet throttling on thermohydraulic instability in a large scale water-based RCCS: An experimental study

The objective of the present experimental study is to investigate the effect of inlet throttling on the thermohydraulic stability of a large scale water-based Reactor Cavity Cooling System (RCCS). The test was performed using the water-based Natural convection Shutdown heat removal Test Facility (NSTF) at Argonne, which represented a ½ axial scale and 12.5° sector slice of the full scale Framatome 625 MW t SC-HTGR RCCS concept. A two-phase steady state was first established through direct condensate refill, followed by increased inlet throttling over 10 stages, corresponding to a loss coefficient K over the range of 0.05–653. With the inlet throttling gradually increased, the system experienced a unique transition process between stabilization and destabilization. Through a stability analysis, three instability mechanisms were identified in the present test, including a compound mechanism due to both natural circulation oscillations (NCOs) and density wave oscillations (DWOs), Type-II DWOs, and geysering.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Physical mechanisms for the transition from type-III to large ELMs induced by impurity injection on EAST

Transition from type-III to large-amplitude ELMs induced by neon injection has been observed in the EAST tokamak at overlapping q 95 space between large and small ELMs. With neon injection, pedestal density gradient shows a remarkable increase accompanied by some decrease of pedestal electron temperature, and consequently the pressure gradient increases moderately and edge bootstrap current has minimal change. Further experiment demonstrates that the occurrence of large ELMs after neon injection is highly correlated with the change in edge density. Linear peeling-ballooning stability analysis indicates that the large ELM case is more unstable than the type-III ELM case during the ELM transition. A scan of pedestal density gradient in linear stability analysis shows that the direct destabilizing effect of steep pedestal density gradient on peeling-ballooning instabilities via two-fluid effects could also facilitate the transition to large ELMs. In conclusion, these results could provide more insight into the role of pedestal density gradient on pedestal stability and ELM behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Upper bound on the smuon mass from vacuum stability in the light of muon g–2 anomaly

We derive an upper bound on the smuon mass assuming that the muon anomaly is explained by the supersymmetric (SUSY) contribution. In the minimal SUSY standard model, the SUSY contribution to the muon g–2 is enhanced when the Higgsino mass parameter is large. Then, the smuon-smuon-Higgs trilinear coupling is enhanced, which may destabilize the electroweak vacuum. We calculate precisely the decay rate of the electroweak vacuum in such a case. We include one-loop effects which are crucial to determine the overall normalization of the decay rate. Requiring that the theoretical prediction of the muon anomalous magnetic moment is consistent with the observed value at the 1 and 2σ levels (equal to the central value of the observed value), we found that the lightest smuon mass should be smaller than 1.38 and 1.68 TeV (1.20 TeV) for tan β (with tan β being the ratio of the vacuum expectation values of the two Higgs bosons), respectively, and the bound is insensitive to the value of tan β.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗