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At least 1,045 records · Page 58

Helicity, membrane incorporation, orientation and thermal stability of the large conductance mechanosensitive ion channel from E. coli

In this report, we present structural studies on the large conductance mechanosensitive ion channel (MscL) from E. coli in detergent micelles and lipid vesicles. Both transmission Fourier transform infrared spectroscopy and circular dichroism (CD) spectra indicate that the protein is highly helical in detergents as well as liposomes. The secondary structure of the proteins was shown to be highly resistant towards denaturation (25-95 degrees C) based on an ellipticity thermal profile. Amide H+/D+ exchange was shown to be extensive (ca. 66%), implying that two thirds of the protein are water accessible. MscL, reconstituted in oriented lipid bilayers, was shown to possess a net bilayer orientation using dichroic ratios measured by attenuated total-reflection Fourier transform infrared spectroscopy. Here, we present and discuss this initial set of structural data on this new family of ion-channel proteins.

NASA Discipline Cell Biology↗

From Structure to Function: Zn/Mn-Modified Maghemite as an Advanced Nanoplatform for Magnetic Hyperthermia and Radionuclide Therapy

The development of nanoplatforms capable of efficient heat generation and stable radionuclide delivery is essential for effective bimodal cancer therapy. Here, in this study, binary (Fe–M) and ternary (Fe–M–M′) metal oxide nanoparticles were synthesized via a polyol method optimized to produce flower-like γ-Fe 2 O 3 (maghemite) structures, with M and M′ representing Zn and/or Mn. Comprehensive structural and magnetic characterization was conducted to explain the relationship between composition, defect structure, and hyperthermic performance. The analyses revealed that cation substitution induced an Fe-site vacancy, primarily at octahedral positions, leading to local structural distortions, as confirmed by powder X-ray diffraction and pair distribution function analysis. The optimized composition, with Zn/Mn/Fe = 0.040:0.182:1, exhibited the highest concentration of vacancies and structural disorder. These vacancies altered the bonding environment, enhancing magnetic interactions at tetrahedral sites while weakening those at the octahedral positions. The resulting multicore nanoflowers (20–63 nm; core size 13–18 nm) displayed strong heating performance, with intrinsic loss power ranging from 0.34 to 5.77 nHm 2 kg –1 . The optimized sample achieved a temperature increase of 30 °C within 2 min and a specific absorption rate of 369 W g –1 . This composition was further coated with citrate (CA) and successfully radiolabeled with 177 Lu, achieving a radiolabeling yield of 92.7% and excellent stability, thus forming a robust nanoplatform for combined magnetic hyperthermia and radionuclide therapy. Biological evaluation of the optimized S5 composition revealed selective cytotoxicity toward HeLa and LS174 cells, while toxicity was significantly lower to A549, A375, and normal MRC-5 cells. Citrate coating of S5 nanoparticles (S5@CA) drastically reduced their cytotoxicity across all tested cell lines (IC 50 > 200 μg mL –1 ), confirming their enhanced biocompatibility for therapeutic applications. In HeLa cells subjected to magnetic hyperthermia, the viability decreased to approximately 84% after 30 min and 61% after 60 min of treatment, demonstrating the sustained hyperthermic effect at a controlled working temperature of 48 °C. These results underscore the effectiveness of cation substitution and vacancy engineering in tailoring the functional properties of maghemite-based nanomaterials for advanced multimodal cancer therapies.

36 MATERIALS SCIENCE↗

Thrust oscillations of the Space Shuttle solid rocket Booster motor during static tests

Thrust oscillations have occurred during static tests of Space Shuttle Booster solid rocket motors. These oscillations in measured axial thrust occurred primarily near 15 Hz; these oscillations late in the motor burn reach magnitudes up to approximately + or - 3% of motor thrust. The phenomenon has consistently occurred on the four demonstration motors which have been static tested and appears to be associated with small amplitude, 15 Hz pressure oscillations inside the motor. The source of the pressure oscillations is thought to be associated with the fundamental longitudinal acoustic resonance of the motor at 15 Hz. These thrust oscillations potentially can impact the design of the Space Shuttle vehicle structure. The demonstration motors have been instrumented with an array of transducers to aid in understanding the phenomenon. In addition to measuring axial and lateral thrust of the motor, pressure transducers were located to measure chamber pressure oscillations at the forward dome. Accelerometers and extensometers have measured motions of the structure. A modal survey was conducted on a fired motor to identify its structural dynamic characteristics, and these data were used to validate mathematical models of the motor in the static test facility.

Mason, D. R.↗

Lithium-ion conductive ceramic textile: A new architecture for flexible solid-state lithium metal batteries

Designing solid-state lithium metal batteries requires fast lithium-ion conductors, good electrochemical stability, and scalable processing approaches to device integration. In this work, we demonstrate a unique design for a flexible lithium-ion conducting ceramic textile with the above features for use in solid-state batteries. The ceramic textile was based on the garnet-type conductor Li 7 La 3 Zr 2 O 12 and exhibited a range of desirable chemical and structural properties, including: lithium-ion conducting cubic structure, low density, multi-scale porosity, high surface area/volume ratio, and good flexibility. The solid garnet textile enabled reinforcement of a solid polymer electrolyte to achieve high lithium-ion conductivity and stable long-term Li cycling over 500 h without failure. The textile also provided an electrolyte framework when designing a 3D electrode to realize ultrahigh cathode loading (10.8 g/cm 2 sulfur) for high-performance Li-metal batteries.

25 ENERGY STORAGE↗

Conductive nanolamellar Cu/martensite wire with high strength

Cu wires can be greatly strengthened without losing much conductivity if a continuous nanolamellar structure with Cu and a strong second constituent is achieved. Here, we report on a nanolamellar Cu/steel wire fabricated by repetitive hot-pressing, forging, rolling and subsequent wire drawing. Austenization and quenching in liquid nitrogen resulted in a Cu/martensite structure, exhibiting tensile strength of 1220 MPa. The electrical conductivity of the wire was measured to be about 60% International Annealed Copper Standard (IACS), which was comparable with Cu/Fe fabricated by alloying and casting. In situ tensile tests under high energy X-ray diffraction were utilized to explore the deformation behavior of the wire. It was discovered that the martensite carried about 60% of the load, accounting for the high strength.

36 MATERIALS SCIENCE↗

Correlation Function Analysis of Fiber Networks: Implications for Thermal Conductivity

The heat transport in highly porous fiber structures is investigated. The fibers are supposed to be thin, but long, so that the number of the inter-fiber connections along each fiber is large. We show that the effective conductivity of such structures can be found from the correlation length of the two-point correlation function of the local conductivities. Estimation of the parameters, determining the conductivity, from the 2D images of the structures is analyzed.

Martinez-Garcia, Jorge↗

Visualizing Orbital Content of Electronic Bands in Anisotropic 2D Semiconducting ReSe 2

Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as thickness-dependent changes in the valence band structure in post-transition-metal monochalcogenides and black phosphorus. Here, we use angle-resolved photoemission spectroscopy to study the electronic band structure of monolayer ReSe 2 , a semiconductor with a distorted 1T structure and in-plane anisotropy. By changing the polarization of incoming photons, we demonstrate that for ReSe 2 , in contrast to the 2H materials, the out-of-plane transition metal dz2 and chalcogen pz orbitals do not contribute significantly to the top of the valence band, which explains the reported weak changes in the electronic structure of this compound as a function of layer number. We estimate a band gap of 1.7 eV in pristine ReSe 2 using scanning tunneling spectroscopy and explore the implications on the gap following surface doping with potassium. Additionally, a lower bound of 1.4 eV is estimated for the gap in the fully doped case, suggesting that doping-dependent many-body effects significantly affect the electronic properties of ReSe 2 . Our results, supported by density functional theory calculations, provide insight into the mechanisms behind polarization-dependent optical properties of rhenium dichalcogenides and highlight their place among two-dimensional crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of microstructural damage and alteration of polytypes to determine the aging of silicon carbide

Irradiated silicon carbide (SiC) exhibits higher carrier content but a decrease in conductivity with increased irradiation. It was theorized that this conflicting data was due to structural damage due to irradiation. This theory was supported by the fact that non-irradiated 50{mu}m thick SiC is transparent for visible light and the higher the irradiation dose, the material of the same thickness became less transparent. However, changes in microscopy and polyforms observed by transmission electron microscopy in SiC due to irradiation were minor. Although existence of different polymorphs of SiC was documented, direct proof of the proposed theory has not yet been achieved.

36 MATERIALS SCIENCE↗

Solute mixing regulates heterogeneity of mineral precipitation in porous media

Here, synchrotron X-ray microtomography was used to track the spatiotemporal evolution of mineral precipitation and the consequent alteration of the pore structure. Column experiments were conducted by injecting CaCl 2 and NaHCO 3 solutions into granular porous media either as a premixed supersaturated solution (external mixing) or as separate solutions that mixed within the specimen (internal mixing). The two mixing modes produced distinct mineral growth patterns. While internal mixing promoted transverse heterogeneity with precipitation at the mixing zone, external mixing favored relatively homogeneous precipitation along the flow direction. The impact of precipitation on pore water flow and permeability was assessed via 3-D flow simulations, which indicated anisotropic permeability evolution for both mixing modes. Under both mixing modes, precipitation decreased the median pore size and increased the skewness of the pore size distribution. Such similar pore-scale evolution patterns suggest that the clogging of individual pores depends primarily on local supersaturation state and pore geometry.

42 ENGINEERING↗

Three-Dimensional Electrical Resistivity Tomography of the Solfatara Crater (Italy): Implication for the Multiphase Flow Structure of the Shallow Hydrothermal System: Resistivity Model of Solfatara Crater

The Solfatara volcano is the main degassing area of the Campi Flegrei caldera, characterized by 30 of unrest. Assessing and understanding such renewal activity is a challenging task because hydrothermal interactions with magmatic gases remain poorly understood. In this study, we decipher the complex structure of the shallow Solfatara hydrothermal system by performing the first 3-D, high-resolution, Electrical Resistivity Tomography (ERT) of the volcano. The 3-D resistivity model was obtained from the inversion of 43,432 resistance measurements performed on an area of 0.68 km 2 . The proposed interpretation of the multiphase hydrothermal structures is based on the resistivity model, a high-resolution infrared surface temperature image, and 1,136 soil CO 2 flux measurements. In addition, we realized 27 soil Cation Exchange Capacity (CEC) and pH measurements demonstrating a negligible contribution of surface conductivity to the shallow bulk electrical conductivity. Hence, we demonstrate that the resistivity changes are mainly controlled by fluid content and temperature. The high-resolution tomograms identify for the first time the structure of the gas-dominated reservoir at 50 m depth that feeds the Bocca Grande fumarole through a ~10-m-thick channel. In addition, the resistivity model reveals a channel-like conductive structure where the liquid produced by steam condensation around the main fumaroles flows down to the Fangaia area within a buried fault. The model delineates the emplacement of the main geological structures: Mt Olibano, Solfatara crypto-dome, and tephra deposits. It also reveals the anatomy of the hydrothermal system, especially two liquid-dominated plumes, the Fangaia mud pool and the Pisciarelli fumarole, respectively.

58 GEOSCIENCES↗

The joint influence of albedo and insulation on roof performance: An observational study

We focus on understanding the temperature and heat flux fields in building roofs, and how they are modulated by the interacting influences of albedo and insulation at annual, seasonal and diurnal scales. High precision heat flux plates and thermocouples were installed over multiple rooftops of varying insulation thickness and albedo in the Northeastern United States to monitor the temperature and the heat flux into and out of the roof structures for a whole year. This analysis shows that while membrane reflectivity (albedo) plays a dominant role in reducing the heat conducted inward through the roof structures during the warmer months, insulation thickness becomes the main roof attribute in preventing heat loss from the buildings during colder months. On a diurnal scale, the thermal state of the white roof structures fluctuated little compared to black roof structures; membrane temperature over white roofs ranged between 10 °C and 45 °C during summer months compared to black membranes that ranged between 10 °C and 80 °C. Insulation thickness, apart from reducing the heat conducted through the roof structure, also delayed the transfer of heat, owing to the thermal inertia of the insulation layer. Furthermore, this has important implications for determining the peak heating and cooling times.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Design Optimization and Residual Strength Assessment of a Cylindrical Composite Shell Structure

A summary of research conducted during the specified period is presented. The research objectives included the investigation of an efficient technique for the design optimization and residual strength assessment of a semi-monocoque cylindrical shell structure made of composite materials. The response surface methodology is used in modeling the buckling response of individual skin panels under the combined axial compression and shear loading. These models are inserted into the MSC/NASTRAN code for design optimization of the cylindrical structure under a combined bending-torsion loading condition. The comparison between the monolithic and sandwich skin design cases indicated a 35% weight saving in using sandwich skin panels. In addition, the residual strength of the optimum design was obtained by identifying the most critical region of the structure and introducing a damage in the form of skin-stringer and skin-stringer-frame detachment. The comparison between the two skin design concepts indicated that the sandwich skin design is capable of retaining a higher residual strength than its monolithic counterpart. The results of this investigation are presented and discussed in this report.

Rais-Rohani, Masoud↗

Synchrotron CT imaging of lattice structures with engineered defects

Understanding mechanical failure, crack propagation, and compressive behavior at the micrometer scale is essential for tailoring material properties for structural performance in cellular materials. Typically, modeling of traditional polymer foam materials is clouded by the lack of control in material morphology and its inherent stochastic structure. Additive manufacturing with sub-micrometer resolution provides a direct path for experimenters to specifically tailor structures needed by modelers to explicitly probe mechanical performance. Using laboratory-based 3D X-ray computed tomographic imaging (CT), the examination of deformation and damage provides a critical path to understand how these soft materials behave. Additionally, synchrotron CT yields realistic information at higher strain rates to directly validate the robustness of our finite element modeling. For this study, nanolithographic printing was employed to generate a series of engineered lattices with increasing levels of defects through the random removal of ligaments. These structures were mechanically tested and imaged with laboratory-based microCT. Additionally, synchrotron experiments were conducted in which the structures were imaged in 3D at 14 Hz during compression at a 0.4 s –1 strain rate. These 3D images show the changes in the structure as the ligaments bend, buckle and fracture in real time. This technique provides a robust framework for developing our methodologies and future exploration of engineered structures.

36 MATERIALS SCIENCE↗

3D Printed Carbon Aerogels for Polymer-Electrolyte Fuel Cells

Carbon aerogels (CA) are known for ultra-low density, very high surface area, fine porous structure, and excellent electrical conductivity. Recent advances in high resolution 3D printing at LLNL enable the manufacturing of complex structured CA electrodes which have been demonstrated in electrolysis, flow battery, and supercapacitor applications. Polymer-electrolyte fuel cells (PEFC) may be an excellent candidate for these materials/methods as designers seek to optimize membrane-electrode assemblies to achieve higher efficiencies. A major challenge to PEFC design is two-phase flow due to water production which causes pore flooding and leads to cell instability and degradation. To mitigate these effects, groups have investigated the creation of liquid specific pathways in the porous layers to alleviate liquid buildup and enhance gas diffusion. While some progress has been made, traditionally manufactured GDLs, which consist of randomly distributed carbon fibers, are limiting. 3D printed CAs are a promising solution as complex macroporous electrode structures can be manufactured out of micro and nano porous filaments with a high level of control. Additionally, the process may allow for the consolidation of multiple layers (MPL, GDL, & flow channels) into a single printed architecture. In this work various CA lattice structures were printed using a direct ink write (DIW) method and liquid breakthrough pressures were measured to demonstrate the ability to tune the water pathways to achieve specific pressure thresholds. Furthermore, a discussion of the prospects for printed CA electrodes in PEFC will focus on material properties, synthesis techniques, and current challenges.

36 MATERIALS SCIENCE↗

Structural Evolution of the Hogback Monocline and Its Tectonic Significance in the San Juan Basin

The San Juan Basin is recognized as a Laramide foreland basin. It is located within the Colorado Plateau, a broad tectonic province characterized by a thick sedimentary sequence that was segmented into smaller sub basins during the Late Cretaceous to Paleogene Laramide orogeny. The Hogback Monocline lies along the northwestern margin of the San Juan Basin and is considered a Laramide-age structure formed in response to compressional stress. In this study, we interpret surface and subsurface datasets to construct a structural geological model and evaluate its tectonic significance. Through seismic data, we identify key fault and fold geometries at depth. The seismic dataset used in this study was reprocessed in depth and constrained with well log velocity data to enhance seismic imaging quality. Additionally, we performed well log correlations to identify formation tops and assess variations in basin infill and thickness geometry. A series of structural cross-sections, constructed using seismic data and a high density of boreholes, are presented to evaluate geometric variations along the structure and its evolution during basin development. Furthermore, kinematic restoration and forward modeling analyses were conducted to validate our structural interpretation. This work suggests that the Hogback Monocline formed through fault-propagation folding and flexural slip affecting the pre-Laramide sedimentary sequence under compressional stresses associated with the Laramide orogeny. This structure is interpreted as a high-angle reverse fault that influenced the geometry of the late basin infill. Additionally, monocline bending along the structure may have been controlled by fault relay systems and, in some cases, influenced by strike-slip faulting.

Reyes, Martin [New Mexico Bureau o fGeology and Mi↗

Finite element analyses of plane thermal entry-length flows

It is pointed out that the design of actively cooled engine and airframe structures for hypersonic flight requires strong interaction between fluid, thermal, and structural analyses. Research programs are being conducted to develop an integrated thermal-structural analysis capability based upon the finite element method. In connection with these programs, a finite element engineering approach has been developed based upon a number of assumptions customarily used in practical heat transfer analysis. An evaluation is conducted of the finite element engineering approach for entry-length flows. The evaluation makes use of an analysis of plane thermal entry-length flows by a finite element approach utilizing mean fluid temperatures with a convection coefficient. Another analysis is based on a finite element continuum approach, taking into account the rigorous momentum, mass, and energy equations of viscous, incompressible flow. The engineering approach was found to give excellent agreement with the rigorous continuum approach for Peclet number values not less than 100.

Thornton, E. A.↗

Stacking disorder and thermal transport properties of α-RuCl 3

α-RuCl 3 , a well-known candidate material for Kitaev quantum spin liquid, is prone to stacking disorder due to the weak van der Waals bonding between the honeycomb layers. After a decade of intensive experimental and theoretical studies, the detailed correlation between stacking degree of freedom, structure transition, magnetic, and thermal transport properties remains unresolved. In this work, we reveal the effects of a small amount of stacking disorder inherent even in high quality α-RuCl 3 crystals. This small amount of stacking disorder results in the variation of the magnetic ordering temperature, and it suppresses the structure transition and thermal conductivity. Crystals with a minimal amount of stacking disorder have a T N > 7.4 K and exhibit a well-defined structure transition around 140 K upon cooling. For those with more stacking faults and a T N below 7 K, the structure transition occurs well below 140 K upon cooling and is incomplete, manifested by the diffuse streaks and the coexistence of both high-temperature and low-temperature phases down to the lowest measurement temperature. Both types of crystals exhibit oscillatory field-dependent thermal conductivity and a plateaulike feature in thermal Hall resistivity in the field-induced quantum spin liquid state. However, α-RuCl 3 crystals with a minimal amount of stacking disorder have a higher thermal conductivity that pushes the thermal Hall conductivity to be closer to the half-integer quantized value. Importantly, these findings demonstrate a strong correlation between layer stacking, structure transition, magnetic, and thermal transport properties, underscoring the importance of interlayer coupling in α-RuCl3 despite the weak van der Waals bonding.

36 MATERIALS SCIENCE↗

Critical joints in large composite primary aircraft structures. Volume 2: Technology demonstration test report

A program was conducted to develop the technology for critical structural joints in composite wing structure that meets all the design requirements of a 1990 commercial transport aircraft. The results of four large composite multirow bolted joint tests are presented. The tests were conducted to demonstrate the technology for critical joints in highly loaded composite structure and to verify the analytical methods that were developed throughout the program. The test consisted of a wing skin-stringer transition specimen representing a stringer runout and skin splice on the wing lower surface at the side of the fuselage attachment. All tests were static tension tests. The composite material was Toray T-300 fiber with Ciba-Geigy 914 resin in 10 mil tape form. The splice members were metallic, using combinations of aluminum and titanium. Discussions are given of the test article, instrumentation, test setup, test procedures, and test results for each of the four specimens. Some of the analytical predictions are also included.

Bunin, Bruce L.↗