No More Conductance Decay: Toward Efficient Long-Range Transport in Molecular Wires
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Engineering↗
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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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Optically Addressable Light Valve Based on a GaN:Mn Photoconductor
Semi-insulating manganese-doped gallium nitride (GaN:Mn) layers epitaxially grown on unintentionally doped GaN substrates were used as photoconductors in optically addressable light valves (OALVs) to withstand higher operational laser fluences compared to current state-of-the-art OALVs where bismuth silicon oxide (BSO; Bi 12 SiO 20 ) layers are used as photoconductors. GaN:Mn promises to be an exciting material for optoelectronic operations due to its large laser fluence handling capability and photoresponsivity near the band edge. The laser damage thresholds for the semi-insulating epitaxial GaN:Mn layer and the n-type substrate layer were measured to be 2.4 and 4.2 J/cm 2 , respectively. These are 6–10 times higher than that of BSO (0.4 J/cm 2 ). These measurements were performed by exposing ~200 sites on the samples to increasing fluence levels from a Gaussian pulsed Nd:YAG laser system (1064 nm) operating at a 5 Hz repetition rate with a 3 ns pulse width. Photoresponsivity of the GaN:Mn material was investigated at discrete wavelengths of 447, 405, and 380 nm. Further, the peak photoresponsivity was observed under an illumination wavelength of 380 nm and is attributed to stronger absorption. The OALV was fabricated by attaching a 110-μm-thick GaN:Mn layer grown on a 280-μm-thick n-GaN layer to a 3-mm-thick BK7 optical window. A twisted nematic E7 liquid crystal was introduced to the 5 μm gap between the two components. Transmission levels of >90% were achieved for the fabricated OALVs for a peak voltage of 40 V, constrained by transmission “bleed-through”.
36 MATERIALS SCIENCE↗
Alkali Cation-Mediated Modulation of CO 2 Reduction Activity on Tin Electrodes in [EMIM][BF 4 ]/H 2 O Electrolytes
The development of efficient CO 2 reduction technologies hinges upon a thorough understanding of the intricate interplay between solution cations and the characteristics of the electrode surface. Recently, ionic liquids (ILs) have emerged as promising electrolytes for the CO 2 reduction reaction. However, the effect of alkali cations on the electrochemical CO 2 reduction (CO 2 R) reaction remains unclear in ILs. Here, in this report, we studied alkali cation effects by assessing the electrocatalytic CO 2 R activity with the IL 1-ethyl-3-methylimidazolium tetrafluoroborate, [EMIM][BF 4 ], in water with alkali metal co-cations (i.e., Li + , Na + , and K + ) using a polycrystalline Sn catalyst. Contrary to previous findings in purely aqueous media with inorganic cations, where alkali cations strongly enhance CO 2 R via pH modulation and strengthening of interfacial electric fields, alkali cations in electrolytes containing the IL [EMIM][BF4] negatively impact CO 2 R activity on Sn electrodes. These results were attributed to the larger radius and higher concentration of the IL organic cation [EMIM] + that mitigates the impact of alkali cations. These findings highlight the complex interplay between IL cations and alkali metals in shaping CO 2 R performance.
Chemistry↗
Self-consistent hardness measurements spanning eleven decades of strain rate on a single material surface
A comprehensive understanding of material strength across strain rates typically requires the combination of results from different methods, which often vary in loading conditions and/or sampled volumes, leading to discrepancies in material behavior. This study presents a microindentation approach to measure hardness covering eleven orders of magnitude in strain rate, from quasi-static to phonon drag-dominated rates, on a single material surface under uniform testing conditions. By engineering the geometry of impactors used in laser induced particle impact testing, we extend the breadth of accessible strain rates, including multiple distinct rates exceeding 10⁵ s⁻¹. This self-consistent approach provides clearer insights into high-rate deformation mechanisms. Our results demonstrate a gradual increase in hardness with strain rate from quasi-static up to ultra-high rates, where a sharp upturn in hardness is observed.
Engineering↗
Autonomous fabrication of tailored defect structures in 2D materials using machine learning-enabled scanning transmission electron microscopy
Materials with tailored quantum properties can be engineered from atomic-scale assembly techniques, but existing methods often lack the agility and accuracy to precisely and intelligently control the manufacturing process. Here, we demonstrate a fully autonomous approach for fabricating atomic-level defects using electron beams in scanning transmission electron microscopy (STEM) that combines advanced machine learning and automated beam control. As a proof of concept, we achieved controlled fabrication of MoS-nanowire (MoS-NW) edge structures by iterative and targeted exposure of MoS 2 monolayer to a focused electron beam to selectively eject sulfur atoms, utilizing high-angle annular dark-field (HAADF) imaging for feedback-controlled monitoring of structural evolution of defects. A machine learning framework combining a random forest model and a convolutional neural network (CNN) was developed to decode the HAADF image and accurately identify atomic positions and species. This atomic-level information was then integrated into an autonomous decision-making platform, which applied predefined fabrication strategies to instruct beam control about atomic sites to be ejected. The selected sites were subsequently exposed to a localized electron beam using an FPGA-controlled scan routine with precise control over beam positioning and duration. While the MoS-NW edge structures produced exhibit promising mechanical and electronic properties, the proposed methods to build the autonomous fabrication framework is material-agnostic and can be extended to other 2D materials for the creation of diverse defect structures and heterostructures beyond Mo S2 .
Engineering↗
Synthesis of 2D layered transition metal (Ni, Co) hydroxides via edge-on condensation
Abstract Layered transition metal hydroxides (LTMHs) with transition metal centers sandwiched between layers of coordinating hydroxide anions have attracted considerable interest for their potential in developing clean energy sources and storage technologies. However, two-dimensional (2D) LTMHs remain largely understudied in terms of physical properties and applications in electronic devices. Here, for the first time we report > 20 μm α-Ni(OH) 2 2D crystals, synthesized from hydrothermal reaction. And an edge-on condensation mechanism assisted with the crystal field geometry is proposed to understand the 2D intra-planar growth of the crystals, which is also testified through series of systematic comparative studies. We also report the successful synthesis of 2D Co(OH) 2 crystals (> 40 μm) with more irregular shape due to the slightly distorted octahedral geometry of the crystal field. Moreover, the detailed structural characterization of synthesized α-Ni(OH) 2 are performed. The optical band gap energy is extrapolated as 2.54 eV from optical absorption measurements and the electronic bandgap is measured as 2.52 eV from reflected electrons energy loss spectroscopy (REELS). We further demonstrate its potential as a wide bandgap (WBG) semiconductor for high voltage operation in 2D electronics with a high breakdown strength, 4.77 MV/cm with 4.9 nm thickness. The successful realization of the 2D LTMHs opens the door for future exploration of more fundamental physical properties and device applications.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Tensile properties of the neutron irradiated HT-9 ACO-3 duct
HT-9, a ferritic-Martensitic steel, has attracted significant interest as a structural and cladding material for a variety of high dose nuclear component applications. This study examines the tensile properties of a HT-9 fuel assembly duct from the fast flux test facility, FFTF. The duct, from the Advanced Core Oxide-3 (ACO-3) irradiation test, was subjected to fast neutron irradiation exposure ranging from 3 dpa above the core top to nearly 155 dpa near the core mid-plane, spanning a temperature range from 382 °C at the lower end to 504 °C at the top. Due to the combination of thermal and neutron flux gradients along the core height. This yields a variety of irradiation damage processes which depend on core location. Tensile properties of specimens extracted at different positions along the height of the irradiated duct were measured at 25 °C, 200 °C and near their in-core irradiation temperature. The results show temperature has a greater impact than dose on post-irradiation strength and ductility. Two irradiation temperature regimes were determined, below irradiation temperatures of 420 °C irradiation hardening increases as irradiation temperature decreases, and above that temperature relatively minor changes are observed in tensile properties. These results are discussed in terms of expected microstructural changes, indicating that dislocation content is a strong contributor in these findings.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Pinning ångström-size solid ionic channels for rare-earth element separation
High-purity rare-earth elements are essential for modern technologies, yet current solvent extraction processes are energy-intensive and environmentally harmful because of inadequate selectivity and ligand toxicity. Although combining size exclusion and binding affinity can improve lanthanide separation, the role of long-range confinement remains underexplored. Here we report lanthanide separation in aqueous systems using extremely confined manganese oxide solid ionic channels with optimized layer spacing. Different lanthanides induce distinct solid-state phase transformations in manganese oxide, creating a strong driving force for separation. Two lanthanide groups, differing by ~1.4 Å in spacing, were identified and confirmed to be stable by density functional theory. The narrower confinement of heavier Group II lanthanides improves cross-group separation by increasing the dehydration barrier for lighter Group I lanthanides without inducing strong binding. Here, we further developed a strategy to pin the confinement dimensions and enhance same-group separation, increasing enrichment factors for La–Nd and La–Pr pairs from 1.6 ± 0.1 and 1.5 ± 0.1 to 5.4 ± 0.1 and 4.2 ± 0.1, respectively.
Chemical engineering↗
Elucidating molecular scale interactions underlying the freezing behavior of salt solutions in silica nanopores
Elucidating the influence of nanoscale confinement on the freezing behavior of salt solutions is of fundamental interest to environmental security and materials science and engineering. Specific structural information such as the coordination environment of ions in confined aqueous medium, effects on the extended hexagonal network of water molecules and their mutual non-bonding interactions in confinement are sparse in the literature along with the change in the dynamical characteristics of water in the presence of ions. To address these knowledge gaps, the current study is focused on investigating the influence of reduced dimensionality arising from nanoscale confinement on the structural evolution of salt solutions on freezing and the associated fluid–surface interactions. In this regard, operando wide-angle X-ray scattering (WAXS) measurements and classical molecular dynamics (MD) simulations are conducted with water and 0.5 M CaCl 2 , MgCl 2 and KCl solutions confined in 4 nm sized SBA-15 silica pores upon cooling from 300 K to 200 K. The freezing point of the salt solutions is depressed to 235 K which is about 10 K lower than that of confined water. The translational dynamics of confined salt solutions indicates shifts in the fragile-to-strong dynamical crossover to a lower temperature compared to pure water. The strong electrostatic attraction between the cations and the surrounding water molecules contributes to the freezing point depression in confined salt solutions. These insights unlock the molecular-scale basis and mechanisms underlying the freezing behavior of confined salt solutions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Enhanced thermal response of 3D-printed bilayer hydrogels via nanoclay incorporation
Nanoclay enhances the actuation of thermally-responsive 3D-printed hydrogel bilayers.
Chemistry↗
Effect of Carbon Nanofibers on the Hydration of Ultrahigh-Performance Concrete: Experimental Study and Model Development
Not provided.
Construction & Building Technology↗
Growth and structure of alpha-Ta films for quantum circuit integration
Tantalum films incorporated into superconducting circuits have exhibited low surface losses, resulting in long-lived qubit states. The remaining loss pathways originate in microscopic defects that manifest as two level systems (TLSs) at low temperatures. These defects limit performance, so careful attention to tantalum film structures is critical for optimal use in quantum devices. In this work, we investigate the growth of tantalum using magnetron sputtering on sapphire, Si, and photoresist substrates. In the case of sapphire, we present procedures for the growth of fully-oriented films with α-Ta [1 1 1]//Al2O3 [0 0 0 1] and α-Ta [1 −1 0]//Al2O3 [1 0 −1 0] orientational relationships and having residual resistivity ratio (RRR) ∼ 60 for 220 nm thick films. On Si, we find a complex grain texturing with Ta [1 1 0] normal to the substrate and RRR ∼ 30. We further demonstrate airbridge fabrication using Nb to nucleate α-Ta on photoresist surfaces. For the films on sapphire, resonators show TLS-limited quality factors of 1.3 ± 0.3 × 106 at 10 mK (for a waveguide gap and conductor width of 3 and 6 μm, respectively). Structural characterization using scanning electron microscopy, x-ray diffraction, low temperature transport, secondary ion mass spectrometry, and transmission electron microscopy reveal the dependence of residual impurities and screw dislocation density on processing conditions. The results provide practical insights into the fabrication of advanced superconducting devices including qubit arrays and guide future works on crystallographically deterministic qubit fabrication.
42 ENGINEERING↗
Water content modulation enables selective ion transport in 2D MXene membranes
Separation membranes are critical for a range of processes, including but not limited to water desalination, chemical and fuel production, and recycling and recovery applications. Fundamentally, there are intrinsic trade-offs between permeability and selectivity. Local water organization and content can impact membrane structure (short- and long-range) in laminar transition metal carbide (MXene) membranes and impact selective ion permeation. Intercalation of chaotropic cesium (Cs + ) ions within the layers reduces the water content in the membrane and at the surface which cannot be found in the intercalation of other ions. Additionally, 3D imaging using focused ion beam scanning electron microscopy showed fewer defects in the Cs-MXene membrane, due to reduced local water content, leading to more efficient ion sieving. X-ray diffraction and density functional theory calculations on the nanochannel structure demonstrated that the chaotropic ion results in the smallest nanochannel size and induces a stronger resistance to water-induced nanochannel swelling. With a narrower nanochannel, the Cs-MXene membrane limits ion transport pathways, resulting in more selective transport of lithium over other metal cations, as evidenced in both experiment and molecular dynamics simulations. In conclusion, our findings highlight the potential for controlling the structural organization of 2D MXene membranes to enable on-demand transport of ions for diverse applications.
36 MATERIALS SCIENCE↗
The effect of dogbone sample size in the tensile testing of TATB-based plastic‑bonded explosive materials
Mechanical properties are of interest for many plastic‑bonded explosive (PBX) materials with tensile properties being of particular interest. Direct tensile measurements using dogbone-shaped samples are considered the gold standard, but they are fairly large, making testing more costly and less desirable from a safety perspective. We investigated whether the measured tensile strength depends on the dogbone specimen size, which to our knowledge, has not been reported in the literature for PBX materials. Understanding this should inform the feasibility of employing smaller samples and how sample size should be considered when comparing PBX dogbone values in the literature. The TATB-based PBX dogbone sample size was varied by (a) scaling all dimensions proportionally and (b) varying only the length of the samples. It was observed that the measured tensile peak stress (strength) was a function of the sample size, and was more dependent on the diameter (cross-sectional area) than the length of the samples. Since peak stress is calculated as peak force normalized to the diameter of the sample, one might not expect an explicit diameter dependence for the peak stress. Therefore, these results suggest there may be an additional strengthening effect as the sample diameter is increased.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Characterizations of two-photon absorption process induced by defects in aluminum nitride using Z-scan method
Abstract In this work, we reported two-photon absorption (TPA) measurements for aluminum vacancies in Aluminum nitride single crystals. We measured the linear transmission and identified the defect levels. Using the Z-scan method, we measured the TPA coefficients of the transitions between defect levels from 380 nm to 735 nm. The transition occurs between the aluminum vacancies defect levels. Furthermore, the power dependence shows good linear fitting, confirming the TPA mechanism. These results will be helpful for the design and fabrication of ultra-low loss waveguides and integrated photonics in the ultraviolet spectral range.
Engineering↗
Endowing low fatigue for elastocaloric effect by refined hierarchical microcomposite in additive manufactured NiTiCuCo alloy
Abstract NiTiCu-based shape memory alloys have been considered as ideal materials for solid-state refrigeration due to their superb cycling stability for elastocaloric effect. However, the embrittlement and deterioration caused by secondary phase and coarse grains restrict their applications, and it is still challenging since the geometric components are required. Here, bulk NiTiCuCo parts with excellent forming quality were fabricated by laser powder bed fusion (LPBF) technique. The as-fabricated alloy exhibits refined three-phases hierarchical microcomposite formed based on the rapid cooling mode of LPBF, composed of intricate dendritic Ti 2 Ni–NiTi composite and nano Ti 2 Cu embedded inside the NiTi-matrix. This configuration endows far superior elastocaloric stability compared to the as-cast counterpart. The low fatigue stems from the strong elastic coupling between the interphases with reversible martensite transformation, revealed byin-situsynchrotron high-energy x-ray diffraction. The fabrication of NiTiCuCo alloy via LPBF fills the bill of complex geometric structures for elastocaloric NiTiCu alloys. The understanding of interphase micro-coupling could provide the guide for designing LPBF fabricated shape memory-based composites, enabling their applications for special demands on other functionalities.
Engineering↗
Melt Pool characteristics on surface roughness and printability of 316L stainless steel in laser powder bed fusion
Purpose Surface quality and porosity significantly influence the structural and functional properties of the final product. This study aims to establish and explain the underlying relationships among processing parameters, top surface roughness and porosity level in additively manufactured 316L stainless steel. Design/methodology/approach A systematic variation of printing process parameters was conducted to print cubic samples based on laser power, speed and their combinations of energy density. Melt pool morphologies and dimensions, surface roughness quantified by arithmetic mean height (Sa) and porosity levels were characterized via optical confocal microscopy. Findings The study reveals that the laser power required to achieve optimal top surface quality increases with the volumetric energy density (VED) levels. A smooth top surface (Sa < 15 µm) or a rough surface with humps at high VEDs (VED > 133.3 J/mm 3 ) can serve as indicators for fully dense bulk samples, while rough top surfaces resulting from melt pool discontinuity correlate with high porosity levels. Under insufficient VED, melt pool discontinuity dominates the top surface. At high VEDs, surface quality improves with increased power as mitigation of melt pool discontinuity, followed by the deterioration with hump formation. Originality/value This study reveals and summarizes the formation mechanism of dominant features on top surface features and offers a potential method to predict the porosity by observing the top surface features with consideration of processing conditions.
Engineering↗
A Multi-Metrics In Situ Aging Detector for SiC Power MOSFET Modules with Full Driver-Integration Capability
In this paper, the concept and prototype of an aging detector for silicon carbide (SiC) power metal oxide semiconductor field effect transistor (MOSFET) are proposed and described. It leverages the resonant peak values of gate-source voltage at different instants during the switching transients to decode the change of multiple aging indicators, such as the increases of on-state resistance and threshold voltage. Modeling-based analysis is conducted to support the idea. The detector can be fully integrated into gate drivers without any additional connection to the power stage and is functional during normal power stage operation. A prototype unit was built, and preliminary tests were conducted to validate the idea and the practicality of the detector.
aging↗