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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 703 records · Page 39

The radial profile and flattening of the Milky Way’s stellar halo to 80 kpc from the SEGUE K-giant survey

We characterize the radial density, metallicity, and flattening profile of the Milky Way’s stellar halo, based on the large sample of spectroscopically confirmed giant stars from SDSS/SEGUE-2, spanning galactocentric radii 10 kpc ≤ r{sub GC} ≤ 80 kpc. After excising stars that were algorithmically attributed to apparent halo substructure (including the Sagittarius stream), the sample has 1757 K giants, with a typical metallicity precision of 0.2 dex and a mean distance accuracy of 16%. Compared to blue horizontal branch stars or RR Lyrae variables, giants are more readily understood tracers of the overall halo star population, with less bias in age or metallicity. The well-characterized selection function of the sample enables forward modeling of those data, based on ellipsoidal stellar density models, ν{sub *}(R, z), with Einasto profiles and (broken) power laws for their radial dependence, combined with a model for the metallicity gradient and the flattening profile. Among models with constant flattening, these data are reasonably well fit by an Einasto profile of n = 3.1 ± 0.5 with an effective radius r{sub eff}=15±2 kpc and a flattening of q = 0.7 ± 0.02, or comparably well by an equally flattened broken power law, with radial slopes of α{sub in} = 2.1 ± 0.3 and α{sub out} = 3.8 ± 0.1, with a break radius of r{sub break} = 18 ± 1 kpc; this is largely consistent with earlier work. We find a modest but significant metallicity gradient within the “outer” stellar halo, [Fe/H] decreasing outward. If we allow for a variable flattening q=f(r{sub GC}), we find the distribution of halo giants to be considerably more flattened at small radii, q(10 kpc) = 0.55 ± 0.02, compared to q(>30 kpc) = 0.8 ± 0.03. Remarkably, the data are then very well fit by a single power law with index of 4.2 ± 0.1 on the variable r{sub q}≡√(R{sup 2}+(z/q(r)){sup 2}). In this simple and better-fitting model, there is a break in flattening at ∼20 kpc, instead of a break in the radial density function. While different parameterizations of the radial profile vary in their parameters, their implied density gradient, ∂lnν{sub ∗}/∂lnr, is stable along a direction intermediate between major and minor axis; this gradient is crucial in any dynamical modeling that uses halo stars as tracers.

79 ASTRONOMY AND ASTROPHYSICS↗

Reticular Electronic Tuning of Porphyrin Active Sites in Covalent Organic Frameworks for Electrocatalytic Carbon Dioxide Reduction

Here, the electronic character of porphyrin active sites for electrocatalytic reduction of CO 2 to CO in a two-dimensional covalent organic framework (COF) was tuned by modification of the reticular structure. Efficient charge transport along the COF backbone promotes electronic connectivity between remote functional groups and the active sites and enables the modulation of the catalytic properties of the system. A series of oriented thin films of these COFs was found to reduce CO 2 to CO at low overpotential (550 mV) with high selectivity (faradaic efficiency of 87%) and at high current densities (65 mA/mg), a performance well beyond related molecular catalysts in regard to selectivity and efficiency. The catalysts are stable for more than 12 h without any loss in reactivity. X-ray absorption measurements on the cobalt L-edge for the modified COFs enable correlations between the inductive effects of the appended functionality and the electronic character of the reticulated molecular active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Plane shear flows of frictionless spheres: Kinetic theory and 3D soft-sphere discrete element method simulations

We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different values of the collisional coefficient of restitution. Then, we perform 3D Discrete Element simulations of plane flows of frictionless, inelastic spheres, sheared between walls made bumpy by gluing particles in a regular array, at fixed average volume fraction and distance between the walls. The results of the numerical simulations are used to derive boundary conditions appropriated in the cases of large and small bumpiness. Those boundary conditions are, then, employed to numerically integrate the differential equations of Extended Kinetic Theory, where the breaking of the molecular chaos assumption at volume fraction larger than 0.49 is taken into account in the expression of the dissipation rate. We show that the Extended Kinetic Theory is in very good agreement with the numerical simulations, even for coefficients of restitution as low as 0.50. When the bumpiness is increased, we observe that some of the flowing particles are stuck in the gaps between the wall spheres. As a consequence, the walls are more dissipative than expected, and the flows resemble simple shear flows, i.e., flows of rather constant volume fraction and granular temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Direct Visualization of Localized Vibrations at Complex Grain Boundaries

Abstract Grain boundaries (GBs) are a prolific microstructural feature that dominates the functionality of a wide class of materials. The functionality at a GB results from the unique atomic arrangements, different from those in the grain, that have driven extensive experimental and theoretical studies correlating atomic‐scale GB structures to macroscopic electronic, infrared optical, and thermal properties. In this work, a SrTiO 3 GB is examined using atomic‐resolution aberration‐corrected scanning transmission electron microscopy and ultrahigh‐energy‐resolution monochromated electron energy‐loss spectroscopy, in conjunction with density functional theory. This combination enables the correlation of the GB structure, nonstoichiometry, and chemical bonding with a redistribution of vibrational states within the GB dislocation cores. The new experimental access to localized GB vibrations provides a direct route to quantifying the impact of individual boundaries on macroscopic properties.

36 MATERIALS SCIENCE↗

Frequency‐Locked Wireless Multifunctional Surface Acoustic Wave Sensors

Abstract Surface acoustic waves (SAWs) have shown great potential for developing sensors for structural health monitoring (SHM) and lab‐on‐a‐chip (LOC) applications. Existing SAW sensors mainly rely on measuring the frequency shifts of high‐frequency (e.g., >0.1 GHz) resonance peaks. This study presents frequency‐locked wireless multifunctional SAW sensors that enable multiple wireless sensing functions, including strain sensing, temperature measurement, water presence detection, and vibration sensing. These sensors leverage SAW resonators on piezoelectric chips, inductive coupling‐based wireless power transmission, and, particularly, a frequency‐locked wireless sensing mechanism that works at low frequencies (e.g., <0.1 GHz). This mechanism locks the input frequency on the slope of a sensor's reflection spectrum and monitors the reflection signal's amplitude change induced by the changes of sensing parameters. The proof‐of‐concept experiments show that these wireless sensors can operate in a low‐power active mode for on‐demand wireless strain measurement, temperature sensing, and water presence detection. Moreover, these sensors can operate in a power‐free passive mode for vibration sensing, with results that agree well with laser vibrometer measurements. It is anticipated that the designs and mechanisms of the frequency‐locked wireless SAW sensors will inspire researchers to develop future wireless multifunctional sensors for SHM and LOC applications.

Bo, Luyu↗

Trifunctional Electrode Additive for High Active Material Content and Volumetric Lithium-Ion Electrode Densities

The use of electrode additives such as binder and conductive additive (CA) in addition to high pore volume for electrolytes, results in reduced volumetric energy densities of all battery electrodes. Here, it is proposed to use poly(furfuryl alcohol) (PFA) conductive resin as a trifunctional electrode additive to replace polyvinylidene fluoride (PVDF) and CA while simultaneously enabling low porosity electrode function. The resultant PFA binder has a long-range ordered structure of conjugated diene, which allow electronic conductivity that leads to a CA-free electrode fabrication process. The oxygen heteroatoms in the PFA structure reduce the diffusion barriers of lithium ions, lowers the amount of required electrolyte/pore volume and thus, increasing electrode density. Serving as a trifunctional electrode additive, a high electrode density of 2.65 g cm -3 of the LiFePO 4 (LFP) electrode and therefore the highest volumetric energy density of 1551 Wh L -1 so far. The LFP electrode using PFA binder can achieve a capacity retention of ≈ 80% and Coulombic efficiency of over 99.9% after cycling for 500 times. The presented in situ polymerization strategy could revolutionize the electrode process, with the advantages of being simple, environmentally friendly, and easily scalable to industrial applications.

25 ENERGY STORAGE↗

Linking Semiconductor Nanocrystals into Gel Networks through All‐Inorganic Bridges

Abstract For colloidal semiconductor nanocrystals (NCs), replacement of insulating organic capping ligands with chemically diverse inorganic clusters enables the development of functional solids in which adjacent NCs are strongly coupled. Yet controlled assembly methods are lacking to direct the arrangement of charged, inorganic cluster‐capped NCs into open networks. Herein, we introduce coordination bonds between the clusters capping the NCs thus linking the NCs into highly open gel networks. As linking cations (Pt 2+ ) are added to dilute (under 1 vol %) chalcogenidometallate‐capped CdSe NC dispersions, the NCs first form clusters, then gels with viscoelastic properties. The phase behavior of the gels for variable [Pt 2+ ] suggests they may represent nanoscale analogues of bridged particle gels, which have been observed to form in certain polymer colloidal suspensions.

Singh, Amita↗

Linking Semiconductor Nanocrystals into Gel Networks through All‐Inorganic Bridges

Abstract For colloidal semiconductor nanocrystals (NCs), replacement of insulating organic capping ligands with chemically diverse inorganic clusters enables the development of functional solids in which adjacent NCs are strongly coupled. Yet controlled assembly methods are lacking to direct the arrangement of charged, inorganic cluster‐capped NCs into open networks. Herein, we introduce coordination bonds between the clusters capping the NCs thus linking the NCs into highly open gel networks. As linking cations (Pt 2+ ) are added to dilute (under 1 vol %) chalcogenidometallate‐capped CdSe NC dispersions, the NCs first form clusters, then gels with viscoelastic properties. The phase behavior of the gels for variable [Pt 2+ ] suggests they may represent nanoscale analogues of bridged particle gels, which have been observed to form in certain polymer colloidal suspensions.

Singh, Amita↗

Toluene Uptake and Outgassing by a 3D-Printed Silicone and the Impact on Mechanical Performance

Silicone elastomers have advantageous physical properties and are widely used in various applications. Additive manufacturing (AM) of silicones provides additional utility by enabling tunable mechanical and functional properties. However, the performance of these elastomers deteriorates over time with exposure to environmental stressors. Organic solvents and volatile organic compounds (VOCs) are stressors that can cause dimensional changes to silicones with exposure and impact the overall function. Yet, the effects of such exposure on mechanical performance, including load response (LR), are not well understood. Here, in this study, we investigated the impact of a nonpolar solvent, toluene, on AM silicone material properties and compressive load. We observed that AM silicones rapidly absorbed toluene and swelled, leading to an increase in relative LR. Toluene concentration and compression did not affect uptake or swelling rates. In contrast, outgassing rates were slower for compressed coupons compared to uncompressed specimens, attributed to geometric constraints and polymer network changes impacting toluene diffusion outward. Compression also pinned the AM silicones at an enlarged state, significantly reducing relative LR after outgassing. Depending on toluene concentrations and compression, AM silicones can remain robust against toluene exposure and recover their initial printing geometry and mechanical performance after toluene outgassing and polymer relaxation.

Materials science↗

A Solvent-Free Synthesis of Lignin-Derived Renewable Carbon with Tunable Porosity for Supercapacitor Electrodes

Synthesis of multiphase materials from lignin, a biorefinery coproduct, offers limited success owing to the inherent difficulty in controlling dispersion of these renewable hyperbranched macromolecules in the product or its intermediates. Effective use of the chemically reactive functionalities in lignin, however, enables tuning morphologies of the materials. Here in this study, we bind lignin oligomers with a rubbery macromolecule followed by thermal crosslinking to form a carbon precursor with phase contrasted morphology at submicron scale. The solvent-free mixing is conducted in a high-shear melt mixer. With this, the carbon precursor is further modified with potassium hydroxide for a single-step carbonization to yield activated carbon with tunable pore structure. A typical precursor with 90 % lignin yields porous carbon with 2120 m 2 g -1 surface area and supercapacitor with 215 F g -1 capacitance. Lastly, the results show a simple route towards manufacturing carbon-based energy-storage materials, eliminating the need for conventional template synthesis.

36 MATERIALS SCIENCE↗

Microstructure-sensitive mechanical behavior of an additively manufactured psuedoelastic shape memory alloy

The additive manufacturing of shape memory alloys into complex geometries enables fabrication of advanced functional systems across a variety of fields and domains. This work presents results focused on the mechanical behavior of additively manufactured shape memory pseudoelastic NiTi. The deformation induced solid state phase transformation from austenite to martensite allows this system to accommodate large recoverable strains. This deformation behavior is fundamentally driven by crystal-scale transformation physics. Laser powder bed fusion processing reveals that the resulting microstructure, both grain morphology and crystallographic texture, is strongly dependent on the manufacturing processing history. Exhaustive mechanical testing demonstrates that these microstructural factors strongly impact both tensile and cyclic stress–strain behavior. Cyclic dissipative behavior, however, is similar across all tested microstructures following an initial transient period. Remarkably, analysis of spatial strain fields during tensile loading reveals two distinctly different localization “modes”. The first is initiation of localized deformation bands which continuously propagate through the tensile bar during loading. In the second mode localization is observed but lacks propagation; instead additional localization cites nucleate during subsequent loading. The latter phenomena is suspected to be driven by grain-scale deformation physics as the localized band morphologies coincide with grain morphologies. These phenomena strongly impact the resulting aggregate stress–strain behavior. Hence, manufacturers and designers of psuedoelastic functional components must at the very least consider the potential variability in properties when considering additive manufacturing processing. More ideally the process–structure–property relations can be used to further tailor and optimize final functional performance.

Additive manufacturing↗

Recent advances in ink-based additive manufacturing for porous structures

The use of porous structures is an ancient wisdom, people found its importance ever since we began to understand nature. The evolution of porous structure gives rise to multi-scale (combined nano-, micro-, and macro-) porous networks. Traditional manufacturing technologies have challenges in creating shape-complex and conformable porous structures for real-world applications. Additive manufacturing (AM) with the capability of assembling various materials with complex and customized architectures is rapidly developing. With the advancement of material development, the integration of AM and porous structure offers unparalleled and emerging opportunities for concept-to-design-to-fabrication of multi-scale porous networks, enabling the multi-functionalities of the 3D printed specimen and broadening its applications. In this work, we provide a comprehensive review of the state-of-the-art ink-based AM techniques for 3D printing porous structures. The ink design principle, ink composition, and printability are thoroughly discussed. The methodologies of various AM technologies for porous structures are analyzed. Readers can find a clear experimental guidance toward 3D printing multi-scale porous structures. The synergistic and collective merits of additive manufacturing and porous structure are highlighted and systematically discussed in this review. The challenges and promises of this field for future research are also outlined.

36 MATERIALS SCIENCE↗

Repairing large cracks and reversing fatigue damage in structural metals

Self-healing materials represent a paradigm shift from traditional materials development, enabling intrinsic repair of functionality (such as strength) after a catastrophic failure as opposed to part replacement. Several healing mechanisms have been demonstrated in polymeric and ceramic materials, but few in metallic systems. This study demonstrates a novel liquid-assisted self-healing metal-matrix composite (MMC) designed to be capable of over 90% strength recovery after a healing cycle. The aluminum (Al)-based matrix is reinforced with continuous nickel-titanium (NiTi) shape-memory alloy (SMA) reinforcements. Using a tailored heat treatment for healing, a paired effect of crack closure from the SMA reinforcement and partial liquefaction of the matrix occurs. These effects result in a compressive force across the crack surface, and, coupled with increased diffusion rates from the liquefied matrix, produces consolidation and healing in the composite structure. This work provides experimental and computational evidence for the healing mechanism under both tensile and fatigue conditions.

36 MATERIALS SCIENCE↗

Visualization of the human CD4{sup +} T-cell response in humanized HLA-DR4-expressing NOD/Shi-scid/γc{sup null} (NOG) mice by retrogenic expression of the human TCR gene

Highlights: • β-Lactoglobulin (BLG) specific TCR genes were introduced to human HSC by retrovirus. • Human HSC with BLG-specific TCR were transplanted into NOG-HLA-DR4 I-A{sup −/−} mice. • BLG-specific TCR induced positive selection of thymocytes. • BLG-specific TCR positive CD4{sup +} T cells mediated immune responses in humanized mice. - Abstract: The development of severe immunodeficient mouse strains containing various human genes, including cytokines or HLA, has enabled the reconstitution of functional human immune systems after transplantation of human hematopoietic stem cells (HSC). Accumulating evidence has suggested that HLA-restricted antigen-specific human T-cell responses can be generated in these humanized mice. To directly monitor immune responses of human CD4{sup +} T cells, we introduced β-lactoglobulin (BLG)-specific T cell receptor (TCR) genes derived from CD4{sup +} T-cell clones of cow-milk allergy patients into HSCs, and subsequently transplanted them into NOG-HLA-DR4 transgenic/I-Aβ deficient mice (NOG-DR4/I-A{sup o}). In the thymus, thymocytes with BLG-specific TCR preferentially differentiated into CD4{sup +}CD8{sup −} single-positive cells. Adoptive transfer of mature CD4{sup +} T cells expressing the TCR into recipient NOG-DR4/I-A{sup o} mice demonstrated that human CD4{sup +} T cells proliferated in response to antigenic stimulation and produced IFN-γ in vivo, suggesting that functional T-cell reactions (especially Th1-skewed responses) were induced in humanized mice.

60 APPLIED LIFE SCIENCES↗

Electrically regenerated ion-exchange technology for desalination of low-salinity water sources

A promising approach to increasing freshwater availability is the effective desalination of widely available and abundant low-salinity water sources. Here we report a new approach to desalinate low-salinity water sources using inexpensive ion exchange resins (IER) which are commonly used for water softening and require regular chemical regeneration. We incorporate IER into a functional composite material that enables electrical regeneration of IER, eliminating the need for regular use of corrosive chemicals. These proof-of-concept results demonstrate reliable regeneration of IER-composite electrodes using a lab-scale prototype device. With further characterization and development, this new approach offers a path to sustainable use of conventional IER for desalination of low-salinity water sources.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bayesian strategies for uncertainty quantification of the thermodynamic properties of materials

Reliable models of the thermodynamic properties of materials are critical for industrially relevant applications that require a good understanding of equilibrium phase diagrams, thermal and chemical transport, and microstructure evolution. The goal of thermodynamic models is to capture data from both experimental and computational studies and then make reliable predictions when extrapolating to new regions of parameter space. These predictions will be impacted by artifacts present in real data sets such as outliers, systematic errors, and unreliable or missing uncertainty bounds. Such issues increase the probability of the thermodynamic model producing erroneous predictions. We present a Bayesian framework for the selection, calibration, and quantification of uncertainty of thermodynamic property models. The modular framework addresses numerous concerns regarding thermodynamic models including thermodynamic consistency, robustness to outliers, and systematic errors by the use of hyperparameter weightings and robust Likelihood and Prior distribution choices. Furthermore, the framework’s inherent transparency (e.g. our choice of probability functions and associated parameters) enables insights into the complex process of thermodynamic assessment. We introduce these concepts through examples where the true property model is known. Additionally, we demonstrate the utility of the framework through the creation of a property model from a large set of experimental specific heat and enthalpy measurements of Hafnium metal from 0 to 4900K.

36 MATERIALS SCIENCE↗

The effect of grain boundary yield and disconnections on grain boundary fracture strength

During high-temperature interfacial strain, e.g., creep or sintering, grain boundaries will sample non-equilibrium states associated with the non-equilibrium disconnections that mediate strain. This work tests the hypothesis that those non-equilibrium states should affect the mechanical properties of the grain boundary. High-temperature bicrystal tensile strain experiments performed on Sc-doped ZrO 2 as a function of strain rate enable the observation of fracture before and after grain boundary yield. Yielded boundaries exhibit a median fracture strength ≈ 50 % lower than those that did not yield. Molecular dynamics simulations performed on boundaries with and without interstitial-type disconnection loops indicate that the presence of those loops reduce the failure stress.

36 MATERIALS SCIENCE↗