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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Effect of Mo-rich Fillers in Pulsed Current Gas Tungsten Arc Welding of Inconel 718 for Improved Strength and Hot Corrosion Resistance

The formation of Laves phase in the fusion zone of Inconel 718 welds is considered to be detrimental and requires major attention, as this phase deteriorates the mechanical properties and high-temperature corrosion resistance. This present study addresses the use of current pulsing technique on the gas tungsten arc welding of 5-mm-thick Inconel 718 plates. Nb-free fillers, namely ERNiCrMo-10 and ERNiCrMo-14, are chosen for joining these plates. Microstructure studies revealed the segregation of Mo-rich phases at the inter-dendritic regions of the fusion zone of both the weldments. Further, the occurrence of detrimental Laves phase was minimized while employing Mo-rich fillers. It is inferred from the tensile studies that the fractures occurred in the parent metal for ERNiCrMo-10 filler and at the fusion zone while employing ERNiCrMo-14. Room-temperature Charpy impact studies also affirm that the impact toughness of ERNiCrMo-10 welds is significantly greater than that of ERNiCrMo-14. Hot corrosion studies were performed on the coupons by exposing them to a synthetic molten salt environment comprising Na{sub 2}SO{sub 4} + 60%V{sub 2}O{sub 5} at 800 °C for 50 h. Owing to the presence of higher amounts of Cr{sub 2}O{sub 3} and NiO, both fusion zones exhibited better hot corrosion resistance than the parent metal. The novel outcome of the study reiterates that with the use of current pulsing and Mo-rich fillers, the detrimental phase shall be controlled.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Rapid Quadrupole-Time-of-Flight Mass Spectrometry Method Quantifies Oxygen-Rich Lignin Compound in Complex Mixtures

Complex mixture analysis is a costly and time-consuming task facing researchers with foci as varied as food science and fuel analysis. When faced with the task of quantifying oxygen-rich bio-oil molecules in a complex diesel mixture, we asked whether complex mixtures could be qualitatively and quantitatively analyzed on a single mass spectrometer with mid-range resolving power without the use of lengthy separations. To answer this question, we developed and evaluated a quantitation method that eliminated chromatography steps and expanded the use of quadrupole-time-of-flight mass spectrometry from primarily qualitative to quantitative as well. To account for mixture complexity, the method employed an ionization dopant, targeted tandem mass spectrometry, and an internal standard. This combination of three techniques achieved reliable quantitation of oxygen-rich eugenol in diesel from 300 to 2500 ng/mL with sufficient linearity (R{sup 2} = 0.97 ± 0.01) and excellent accuracy (percent error = 0% ± 5). To understand the limitations of the method, it was compared to quantitation attained on a triple quadrupole mass spectrometer, the gold standard for quantitation. The triple quadrupole quantified eugenol from 50 to 2500 ng/mL with stronger linearity (R{sup 2} = 0.996 ± 0.003) than the quadrupole-time-of-flight and comparable accuracy (percent error = 4% ± 5). This demonstrates that a quadrupole-time-of-flight can be used for not only qualitative analysis but also targeted quantitation of oxygen-rich lignin molecules in complex mixtures without extensive sample preparation. The rapid and cost-effective method presented here offers new possibilities for bio-oil research, including: (1) allowing for bio-oil studies that demand repetitive analysis as process parameters are changed and (2) making this research accessible to more laboratories. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Formation mechanisms of Sn-rich δ phase and its role in strengthening Cu-10Sn manufactured by laser powder bed fusion

Cu-Sn alloys produced via laser powder bed fusion (L-PBF) additive manufacturing (AM) have gained significant attention because they combine the advantages of AM relevant to intricate component design with outstanding combinations of strength, ductility, and resistance to wear and corrosion. However, a detailed understanding of the microstructure that contributes to the enhancement of the mechanical properties of L-PBF Cu-10Sn alloys remains unclear. In particular, there is a lack of understanding of the formation mechanisms of the Sn-rich δ phase commonly observed in Cu-10Sn. This study reveals two distinct variants of the δ phase possessing unique morphological characteristics. These characteristics are attributed to the local solidification conditions inherent to the melt pool boundaries versus those at the interiors of melt pools. A phase transformation pathway that elucidates the origin of the morphological variants of the δ phase from the Sn-rich metastable phases during the cyclic heating of the AM process is proposed. We report superior mechanical properties in L-PBF Cu-10Sn compared to those of conventionally manufactured counterparts due to the synergistic contributions from grain boundaries, dislocations, and the δ phase. Notably, the δ phase alone contributes approximately 22 % to the overall strength observed in the L-PBF Cu-10Sn alloy. The discovery of two types of distinct Sn-rich δ phase offers key insights into precise microstructural control in AM Cu-Sn alloys to enhance mechanical properties, providing practical strategies for improving material performance for diverse applications in automotive, aerospace, and machinery industries.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Structure and magnetism in Ga-rich MnGa/GaN thin films and unexpected giant perpendicular anisotropy in the ultra-thin film limit

Here, we report structural, surface, and magnetic investigations of ferromagnetic Ga-rich MnGa thin and ultra-thin films grown on semiconducting GaN(0001) using molecular beam epitaxy. The Mn:Ga composition ratio is varied from ≈1 (stoichiometric) to ≈0.42 (very Ga-rich) for different samples. We find that the L1 0 MnGa phase is preserved down to a Mn:Ga ratio of ≈0.81. As the Ga concentration increases, we observe the coexistence of more Ga-rich phases, namely Mn3Ga5 and Mn2Ga5. Room temperature scanning tunneling microscopy imaging reveals highly epitaxial films, with atomically smooth and highly reconstructed surfaces. Magnetic characterizations show how the magnetic properties evolve with changing composition and that giant perpendicular magnetic anisotropy is induced by reducing the size of our films.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Protective effects of methane-rich saline on diabetic retinopathy via anti-inflammation in a streptozotocin-induced diabetic rat model

As the commonest complication of diabetes mellitus (DM), diabetic retinopathy (DR) is a neuro-vascular disease with chronic inflammatory. Methane could exert potential therapeutic interest in inflammatory pathologies in previous studies. Our study aims to evaluate the protective effects of methane-rich saline on DR and investigate the potential role of related MicroRNA (miRNA) in diabetic rats. Streptozotocin-induced diabetic Sprague–Dawley rats were injected intraperitoneally with methane-rich or normal saline (5 ml/kg) daily for eight weeks. Morphology changes and blood-retinal barrier (BRB) permeability were assessed by hematoxylin eosin staining and Evans blue leakage. Retinal inflammatory cytokines levels of tumor necrosis factor-α (TNF-α) and interleukin-1β (IL1-β) were evaluated by immunohistochemistry. Retinal protein expressions of glial fibrillary acidic protein (GFAP) and vascular endothelial growth factor (VEGF) were determined by western blotting. Retinal miRNA expressions were examined by miRNA-specific microarray, verified by quantitative RT-PCR and predicted by GO enrichment and KEGG pathway analysis. There was no significant changes in blood glucose level and body weight of diabetic rats with methane-rich or normal saline treatment, but the decreased retinal thickness, retinal ganglial cell loss and BRB breakdown were all significantly suppressed by methane treatment. DM-induced retinal overexpressions of TNF-α, IL-1β, GFAP and VEGF were also significantly ameliorated. Moreover, the methane treatment significantly up-regulated retinal levels of miR-192-5p (related to apoptosis and tyrosine kinase signaling pathway) and miR-335 (related to proliferation, oxidative stress and leukocyte). Methane exerts protective effect on DR via anti-inflammation, which may be related to the regulatory mechanism of miRNAs. - Highlights: • Methane exerts protective effect on diabetic retinopathy via anti-inflammation. • Therapeutic effect of methane is related to the regulatory mechanism of miRNAs. • As a therapeutic gas, methane will be a bright future.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

A valine-to-lysine substitution at position 210 induces structural conversion of prion protein into a β-sheet rich oligomer

Highlights: • A V210I mutation has been associated with pathogenic conversion of PrP to PrP{sup Sc}. • A V210K mutation (but not the V210I mutation) impacts on the PrP structure. • The resulting structure adopts a β-sheet-rich oligomer with low stability. • A lysine substitution in the hydrophobic core induces the α→β conversion in vitro. Prion diseases are fatal neurodegenerative diseases associated with structural conversion of α-helical prion protein (PrP) into its β-sheet rich isoform (PrP{sup Sc}). Previous genetic analyses have indicated that several amino acid residues involved in the hydrophobic core of PrP (such as V180, F198, and V210) play a critical role in the development of prion diseases. To understand how these hydrophobic residues would contribute to the α-to-β conversion process of PrP, we substituted the V210 residue with bulkier (V210F, V210I, and V210L), smaller (V210A), and charged amino acids (V210K) and characterized its effects. Interestingly, although most of the mutations had little or no effect on the biochemical properties of PrP, the V210K mutation induced structural conversion of PrP into a β-structure. The β-inducing effect was prominent and observed even under a physiological condition (i.e., in the absence of denaturant, acidic pH, reducing agent, and high temperature) in contrast to the disease-associated mutations in the PrP gene. We also examined structural features of V210K PrP using guanidine-hydrochloride unfolding, dynamic light scattering, 8-anilino-1-naphthalene sulfonate fluorescence, and electron microscopy, and revealed that V210K PrP assembles into a non-fibrillar β-rich oligomer. Thus, the α-to-β conversion can be induced by introduction of a charged residue into the hydrophobic core, which provide novel insight into the structural dynamics of PrP.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Influence of CaO/FeO ratio on the formation mechanism and properties of alkali-activated Fe-rich slags

Highlights: • Effect of the CaO/FeO molar ratio in alkali-activated Fe-rich slags is unraveled. • Low CaO/FeO molar ratios enhance the early kinetics and compressive strength. • Reaction extent and strength further increase with higher CaO/FeO ratio after 7 days. • Fe{sup 2+}-trioctahedral layers of the binder are hydroxylated and in a silicate phase. • The final strength is determined by the influence of Ca on the reaction products. In the search for CO{sub 2} mitigating cement technologies, alkali-activated Fe-rich slags present a possible alternative. The influence of the chemical composition of the synthetic Fe-silicate slag on the reaction mechanisms is assessed by varying the CaO/FeO molar ratio. The alkali-activated Fe-rich slags consist of trioctahedral layers that are shown to be hydroxylated and in contact with silicates, in a similar way to phyllosilicate minerals. The formation of this phyllosilicate-like structure is hindered during the first days for samples with high CaO/FeO ratios, because of the partial incorporation of Ca in the trioctahedral layers. At later ages, the samples with higher CaO/FeO ratios gain in reaction extent, to exceed the reaction extent of low CaO/FeO ratios at 28 days and beyond. The increase in compressive strength is even more pronounced than the effect on the reaction extent, which underlines the importance of Ca on the inherent strength of the binding phases.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Determine the coordination of Al and Si of Fe-rich fly ash: The challenge in NMR and how we probe its heterogeneity using X-ray spectromicroscopy

Scanning transmission X-ray microscopy (STXM) coupled with ptychographic imaging at Al and Si K-edge is a new probe to the microscale chemistry of heterogenous materials. Here, the combined techniques are applied to study local coordination environment of Fe-rich fly ash (FA). Ptychographic imaging at Al K- and Si K-edge highlights the fine Al- and Si-rich morphological features, respectively, at 6 nm pixel resolution. STXM visualizes the inter- and intra-particle variations in the silicate polymerization degree and two types of Al coordination environment in FA. The Si K-edge of SiO4 connected with four-fold coordinated Al is higher than SiO4 sharing oxygen with six-fold coordinated Al. The result is consistent with bulk nuclear magnetic resonance spectroscopy measurement of the Fe-rich sample which, however, is sensitive to paramagnetic Fe and time-consuming. Here, we demonstrate that the combined method has great potential in the studies of chemically heterogenous aluminosilicates.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Spatially resolved X-ray imaging and molecular characterisation of sulfur and iron in organic- and sulfur-rich hydrocarbon source mudstones

Sulfurisation of organic matter (OM) is a prominent preservation mechanism, however iron sulfide precipitation, particularly pyrite (FeS2), can counteract this mechanism. There is a dearth of high-resolution, spatially-resolved spectroscopic (redox) information on sulfur and iron inventories within organic-rich rocks that would improve our understanding of prevailing environmental conditions during deposition. Here, state-of-the-art synchrotron-based X-ray absorption and fluorescence analyses of key organic- and sulfur-rich mudstones demonstrate the potential of these techniques to non-destructively map and produce detailed spectroscopic information. Detailed high-resolution analyses (μm- to mm-scale) reveal the presence of widespread sulfurised OM in the Blackstone Band of the Kimmeridge Clay Formation, in line with a persistence of euxinia over a long temporal span and low reactive iron input, facilitating the preservation of OM through sulfurisation. In contrast, the presence of sulfurised OM was transitional in the Monterey Formation, consistent with fluctuating water column redox conditions, and is less significant in the Whitby Mudstone Formation, likely due to the high reactive iron concentrations outcompeting sulfurised OM formation. Analyses of sulfur species using model compounds further indicate that the Whitby Formation is strongly enriched in inorganic reduced sulfur minerals, while both the Kimmeridge Clay and Monterey Formations are dominated by organic sulfur species. These synchrotron-based observations improve our understanding of environmental conditions during the time of deposition of these mudstones and thus show great promise in the study of organic-rich sediments, especially in allowing their depositional settings to be more accurately reconstructed.

Kimmeridge Clay Formation↗
DOE OSTI2019

Ion chemistry in premixed rich methane flames

External electric field and plasma assisted combustion show great potential for combustion enhancement, e.g., emission and ignition control. To understand soot suppression by external electric fields and flame ignition in spark ignition engines, flame ion chemistry needs to be investigated and developed. In this work, comprehensive and systematic investigations of neutral and ion chemistry are conducted in premixed rich methane flames. Cations are measured by quadrupole molecular beam mass spectrometry (MBMS), and neutrals are measured by synchrotron vacuum ultra violet photoionization time of flight MBMS (SVUV-PI-TOF-MBMS). The molecular formula and dominant isomers of various measured cations are identified based on literature survey and quantum chemistry calculations. Experimentally, we found that H 3 O + is the dominant cation in slightly rich flame (Φ = 1.5), but C 3 H 3 + is the most significant in very rich flames (Φ = 1.8 and 2.0). An updated ion chemistry model is proposed and used to explain the effects of changing equivalence ratio. To further verify key ion-neutral reaction pathways, measured neutral profiles are compared with cation profiles experimentally. Furthermore, detailed cation and neutral measurements and numerical simulations by this work help to understand and develop ion chemistry models. Deficiencies in our current understanding of ion chemistry are also highlighted to motivate further research.

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

Data on Cu- and Ni-Si-Mn-rich solute clustering in a neutron irradiated austenitic stainless steel

The data presented in this article is supplementary to the research article “Phase instabilities in austenitic steels during particle bombardment at high and low dose rates” (Levine et al.). Needle-shaped samples were prepared with focused ion beam milling from a 304L stainless steel that was irradiated with fast neutrons (E 0.1 MeV) in the BOR-60 reactor at 318 °C to 47.5 dpa. Atom probe tomography (APT) experiments in voltage mode were then conducted on a Cameca LEAP 5000X HR. Atom position, range, and mass spectrum files after reconstruction with Cameca’s IVAS software are included. Cu- and Ni-Si-Mn-rich solute nanoclusters were identified and analyzed using the Open Source Characterization of APT Reconstructions (OSCAR) program. Python code for OSCAR, information on the program’s underlying algorithm, and sample output files are provided. A proximity histogram of a Ni-Si-Mn-rich cluster and a 1D density/solute concentration profile of a Cu-rich cluster are given to demonstrate OSCAR’s analytical functionalities. The provided APT dataset is valuable for benchmarking phase instabilities in neutron-irradiated austenitic stainless steels that occur at high doses. The OSCAR program can be reused to process other APT data sets where solute nanoclustering is of interest.

42 ENGINEERING↗
DOE OSTI2024

Formation of Mn-rich interfacial phases in Co 2 Fe x Mn 1-x Si thin films

Here, we report the formation of Mn-rich regions at the interface of Co 2 Fe x Mn 1-x Si thin films grown on GaAs substrates by molecular beam epitaxy (MBE). Scanning transmission electron microscopy (STEM) with electron energy loss (EEL) spectrum imaging reveals that each interfacial region: (1) is 1–2 nm wide, (2) occurs irrespective of the Fe/Mn composition ratio and in both Co-rich and Co-poor films, and (3) displaces both Co and Fe indiscriminately. We also observe a Mn-depleted region in each film directly above each Mn-rich interfacial layer, roughly 3 nm in width in the x = 0 and x = 0.3 films, and 1 nm in the x = 0.7 (less Mn) film. We posit that growth energetics favor Mn diffusion to the interface even when there is no significant Ga interdiffusion into the epitaxial film. Element-specific X-ray magnetic circular dichroism (XMCD) measurements show larger Co, Fe, and Mn orbital to spin magnetic moment ratios compared to bulk values across the Co 2 Fe x Mn 1-x Si compositional range. The values lie between reported values for pure bulk and nanostructured Co, Fe, and Mn materials, corroborating the non-uniform, layered nature of the material on the nanoscale. Finally, SQUID magnetometry demonstrates that the films deviate from the Slater-Pauling rule for uniform films of both the expected and the measured composition. The results inform a need for care and increased scrutiny when forming Mn-based magnetic thin films on III-V semiconductors like GaAs, particularly when films are on the order of 5 nm or when interface composition is critical to spin transport or other device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Triazine containing N-rich microporous organic polymers for CO{sub 2} capture and unprecedented CO{sub 2}/N{sub 2} selectivity

Targeted synthesis of microporous adsorbents for CO{sub 2} capture and storage is very challenging in the context of remediation from green house gases. Herein we report two novel N-rich microporous networks SB-TRZ-CRZ and SB-TRZ-TPA by extensive incorporation of triazine containing tripodal moiety in the porous polymer framework. These materials showed excellent CO{sub 2} storage capacities: SB-TRZ-CRZ displayed the CO{sub 2} uptake capacity of 25.5 wt% upto 1 bar at 273 K and SB-TRZ-TPA gave that of 16 wt% under identical conditions. The substantial dipole quadruple interaction between network (polar triazine) and CO{sub 2} boosts the selectivity for CO{sub 2}/N{sub 2}. SB-TRZ-CRZ has this CO{sub 2}/N{sub 2} selectivity ratio of 377, whereas for SB-TRZ-TPA it was 97. Compared to other porous polymers, these materials are very cost effective, scalable and very promising material for clean energy application and environmental issues. - Graphical abstract: We report two novel N-rich microporous polymeric materials by doping of triazine containing tripodal dopant in the organic framework. These materials showed excellent CO{sub 2} storage capacities as high as 25.5 wt% under 1 bar pressure with exceptional CO{sub 2}/N{sub 2} selectivity of 377. - Highlights: • Triazine containing trimodal moiety incorporated in polycarbazolic and poly triphenylamine networks. • N-rich crosslinked polymers with high BET surface area and 1.5–1.7 nm size large micropores. • CO{sub 2} uptake capacity of 25.5 wt% upto 1 bar at 273 K. • These crosslinked porous polymers showed exceptional CO{sub 2}/N{sub 2} selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Solid-state transformation of Fe-rich intermetallic phases in Al–5.0Cu–0.6Mn squeeze cast alloy with variable Fe contents during solution heat treatment

The Al–5.0 wt.% Cu–0.6 wt.% Mn alloys with a variable Fe content were prepared by squeeze casting. Optical microscopy (OM), Deep etching technique, scanning electron microscopy(SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to examine the solid-state transformation of Fe-rich intermetallics during the solution heat treatment. The results showed that the Chinese script-like α-Fe, Al{sub 6}(FeMn) and needle-like Al{sub 3}(FeMn) phases transform to a new Cu-rich β-Fe (Al{sub 7}Cu{sub 2}(FeMn)) phase during solution heat treatment. The possible reaction and overall transformation kinetics of the solid-state phase transformation for the Fe-rich intermetallics were investigated. - Graphical abstract: Display Omitted - Highlights: • The α-Fe, Al{sub 6}(FeMn) and Al{sub 3}(FeMn) phases change to the β-Fe phases. • Possible reactions of Fe phases during solution heat treatment are discussed. • The overall fractional transformation rate follows an Avrami curve.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Effect of Zn on microstructure, texture and mechanical properties of Al-Mg-Si-Cu alloys with a medium number of Fe-rich phase particles

Highlights: • Zn has a negligible influence on the final recrystallization microstructure and texture of Al-Mg-Si-Cu alloys. • By adding Fe-rich phase particles to refine the recrystallization grain sizes could control the texture. • The deep drawability of Al-Mg-Si-Cu alloys could be affected by solute Zn atom besides the microstructure and texture. - Abstract: The effect of Zn on the microstructure, texture evolution and mechanical properties of Al-Mg-Si-Cu alloys with a medium number of Fe-rich phase particles was investigated using tensile testing machine, optical microscopy (OM), scanning electron microscope (SEM), transmission electron microscope (TEM) and X-ray diffractometer (XRD) in the present study. The results show that Zn addition has a significant influence on the final mechanical properties, but a slight effect on microstructure and final recrystallization texture. Zn addition is favorable to increase yield strength, ultimate tensile strength and elongation, however it is detrimental to improve r value and reduce Δr value. During the thermomechanical processing, the microstructure almost has nothing to do with Zn addition. However, Zn could prevent the secondary phase particles from precipitating during intermediate annealing. In contrast to the alloy sheet without Zn, the alloy sheet with 1.0 wt% Zn always has weaker textures before final cold rolling, but a stronger texture after experiencing final cold rolling. After solution treatment, they almost possess the same recrystallization texture. Finally, the effect of Zn addition on the recrystallization texture was discussed. Their similar recrystallization texture can be attributed to the similar microstructure, which was caused by the medium number of Fe-rich phase particles.

36 MATERIALS SCIENCE↗
DOE OSTI2013

One step synthesis of Bi@Bi{sub 2}O{sub 3}@carboxylate-rich carbon spheres with enhanced photocatalytic performance

Graphical abstract: Functional groups of sodium gluconate play synergetic roles in the formation of Bi@Bi{sub 2}O{sub 3}@carboxylate-rich carbon core–shell nanosturctures (Bi@Bi{sub 2}O{sub 3}@CRCSs). Bi@Bi{sub 2}O{sub 3}@CRCSs exhibits significant enhanced photocatalytic activity under visible light irradiation. - Highlights: • One step synthesis of Bi@Bi{sub 2}O{sub 3}@carboxylate-rich carbon spheres. • Functional groups of sodium gluconate play synergetic roles in the formation of Bi@Bi{sub 2}O{sub 3}@CRCSs. • Bi@Bi{sub 2}O{sub 3}@CRCSs exhibits enhanced photocatalytic activity under visible light irradiation. - Abstract: Bi@Bi{sub 2}O{sub 3}@carboxylate-rich carbon core-shell nanosturctures (Bi@Bi{sub 2}O{sub 3}@CRCSs) have been synthesized via a one-step method. The core–shell nanosturctures of the as-prepared samples were confirmed by X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and Raman spectroscopy. The formation of Bi@Bi{sub 2}O{sub 3}@CRCSs core–shell nanosturctures should attribute to the synergetic roles of different functional groups of sodium gluconate. Bi@Bi{sub 2}O{sub 3}@CRCSs exhibits significant enhanced photocatalytic activity under visible light irradiation (λ > 420 nm) and shows an O{sub 2}-dependent feature. According to trapping experiments of radicals and holes, hydroxyl radicals were not the main active oxidative species in the photocatalytic degradation of MB, but O{sub 2}·{sup −} are the main active oxidative species.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Morphology and elemental composition of a new iron-rich ferrite phase in highly irradiated austenitic steel

Here, elemental composition and morphology of a previously unidentified radiation-induced ferrite phase were investigated in a 300-series steel irradiated by neutrons in-service up to 57.6 dpa. Specimens of 18Cr-10Ni-Ti stainless steel (AISI 321 analog) were cut from a hexagonal wrapper of a fuel assembly irradiated in the BN-350 sodium-cooled fast reactor. An Fe-rich bcc-phase was observed primarily on grain boundaries. In this phase, the concentration of Cr is ~8–12% (compared to ~19% in the matrix), the concentration of Ni is ~1.5–3% (~9% in the bulk material), and the concentration of Mn is ~0.23% (1.3% in the matrix). This Fe-rich phase is distinctly different from the retained-ferrite phase, commonly found in commercial austenitic steels. The extensive appearance of this Fe-rich ferrite on grain boundaries suggests that enhanced surface–intergranular corrosion may occur in water-cooled power reactors, arising from the low Ni, Mn, and Cr concentrations in this phase.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Review of the U.S. Department of Energy's "Deep Dive" Effort to Understand Voltage Fade in Li- and Mn-rich Cathodes

With roughly two-thirds of daily oil consumption in the United States allotted for transportation, the possibility of efficient and affordable electric vehicles suggests a way to substantially alleviate the Country’s dependence on oil and mitigate the rise of greenhouse gases. Although commercialized Li-ion batteries do not currently meet the stringent demands of a would-be, economically competitive, electrified vehicle fleet, significant efforts are being focused on promising new materials for the next generation of Li-ion batteries. The leading class of materials most suitable for the challenge is the Li- and manganese-rich class of oxides. Denoted as LMR-NMC (Li-manganese-rich, nickel, manganese, cobalt), these materials could significantly improve energy densities, cost, and safety, relative to state-of-the-art Ni- and Co-rich Li-ion cells, if successfully developed.1 The success or failure of such a development relies heavily on understanding two defining characteristics of LMR-NMC cathodes. The first is a mechanism whereby the average voltage of cells continuously decreases with each successive charge and discharge cycle. This phenomenon, known as voltage fade, decreases the energy output of cells to unacceptable levels too early in cycling. The second characteristic is a pronounced hysteresis, or voltage difference, between charge and discharge cycles. The hysteresis represents not only an energy inefficiency (i.e., energy in vs energy out) but may also complicate the state of charge/depth of discharge management of larger systems, especially when accompanied by voltage fade. n 2012, the United States Department of Energy’s Office of Vehicle Technologies, well aware of the inherent potential of LMR-NMC materials for improving the energy density of automotive energy storage systems, tasked a team of scientists across the National Laboratory Complex to investigate the phenomenon of voltage fade. Unique studies using synchrotron X-ray absorption (XAS) and high-resolution diffraction (HR-XRD) were coupled with nuclear magnetic resonance spectroscopy (NMR), neutron diffraction, high-resolution transmission electron microscopy (HR-TEM), first-principles calculations, molecular dynamics simulations, and detailed electrochemical analyses. These studies demonstrated for the first time the atomic-scale, structure–property relationships that exist between nanoscale inhomogeneities and defects, and the macroscale, electrochemical performance of these layered oxides. These inhomogeneities and defects have been directly correlated with voltage fade and hysteresis, and a model describing these mechanisms has been proposed. This Account gives a brief summary of the findings of this recently concluded, approximately three-year investigation. Lastly, the interested reader is directed to the extensive body of work cited in the given references for a more comprehensive review of the subject.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗