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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 145 records · Page 8

Gaseous contaminant transfer in membrane-based air-to-air energy exchangers

Membrane-based air-to-air energy exchangers (M–AAEEs) transfer heat and moisture between building exhaust air and fresh ventilation air streams through a membrane, thereby reducing the energy required for conditioning the fresh ventilation air. Energy exchangers are typically used in buildings with relatively clean building exhaust air, such as office buildings and schools. Recently interest in using energy exchangers in a wider range of buildings has grown, to reduce the energy consumption associated with the heating, ventilating, and air-conditioning (HVAC) systems in these buildings. However, if the building exhaust air is not clean, as would be the case for laboratories or factories, new risks are encountered when using energy exchangers. It is possible that gaseous contaminants in the exhaust air may also transfer along with the moisture through the membranes, contaminating the incoming fresh ventilation air. Current test standards provide a test procedure to determine the contamination of the fresh ventilation air by measuring the transfer of an inert tracer gas in an energy exchanger. However, the tracer gas test may not represent the transfer of common indoor air contaminants due to differences in their transport properties. Therefore, in this study, an experimental facility is developed to determine the transfer of seven different contaminants through two membranes (porous and dense) at different flow rates. Contaminant transfer is quantified using a parameter called the exhaust contaminant transfer ratio (ECTR), which gives the fraction of the contaminants transferred from the exhaust air to the fresh ventilation air. A theoretical model based on the effectiveness-number of transfer units (ε-NTU) correlation and moisture transfer resistance of the membrane is presented to determine transfer through porous membranes and validated with experimental results. The major contribution of this paper is that it presents a simple method to predict the transfer of different contaminants through a porous membrane based on the moisture transfer resistance of the membrane at different operating conditions. It is found that as contaminant diffusivity decreases, ECTR generally also decreases, and as the flow rate increases, ECTR decreases, which is consistent with the predictions from the correlation.

42 ENGINEERING↗

Reducing Non-Radiative Recombination in Perovskite Solar Cells with a SiO2-Graphene Oxide Buried Interface Layer

Perovskite solar cells (PSCs) have emerged as a transformative photovoltaic technology. However, the device performance of inverted PSCs is dramatically limited by surface defects and the underlying film morphology of metal halide perovskite (MHP) thin film. Herein, we report a novel buried interface layer consisting of SiO2 nanoparticles (NPs) chemically bonded to graphene oxide (GO), deposited atop a hydrophobic hole extraction layer (HEL) to address this limitation. The SiO2 NPs serve as insoluble scaffolds that immobilize GO sheets on the hydrophobic HEL surface, enabling the formation of homogeneous MHP thin films. Meanwhile, the GO functional groups interact with surface-uncoordinated Pb2+, suppressing interfacial defects and guiding crystal grain growth of the resultant MHP thin films. This synergistic effect suppresses non-radiative charge recombination and enhances charge extraction efficiency. As a result, a 26.07% efficiency with significantly suppressed photocurrent hysteresis is observed from PSCs incorporating the SiO2-GO buried interface layer. Moreover, the above PSCs maintain 92% of their initial PCE after 1800 h of continuous operation at the maximum power point under AM 1.5 G (100 mW/cm2) illumination at 25 degrees C in air with 50-60% relative humidity. These results demonstrate that we have developed a facile and effective way to realize high-performance inverted PSCs.

14 SOLAR ENERGY↗

Synthesis and Evaluation of Cu@ZnO Core@Shell Nanowires for Use in the Carbon Dioxide Thermal Reduction Reaction

Copper-based core@shell nanomaterials are of interest for the catalytic hydrogenation of carbon dioxide toward value-added products. In this context, we have developed a facile, microwave-based procedure for the reliable and reproducible synthesis of Cu@ZnO core@shell nanowires. A systematic assessment of the effect of rationally varying various reaction conditions on this protocol was completed in order to better evaluate the growth process of these core–shell motifs. We determined that among different reaction parameters, it was the critical role of reaction time which enabled the quantitatively reliable growth of external shells with tunable thicknesses of up to 20 nm. As a demonstration of the material’s practical viability, catalytic testing was subsequently performed for the reverse water–gas shift reaction (CO 2 + H 2 → CO + H 2 O), with the evolution of the process followed with in situ X-ray diffraction and X-ray absorption spectroscopy in order to probe structural changes and gauge stability. These tests found the catalysts to be effective at converting CO 2 to CO, with notable stability detected in the shell layer and no observed alloying between copper and zinc. Furthermore, our studies support the idea that the Cu–ZnO and CuO x –ZnO interfaces are essential for the effective activation of CO 2 and H 2 .

36 MATERIALS SCIENCE↗

Highly Active Rutile TiO 2 Nanocrystalline Photocatalysts

The controllable synthesis of rutile TiO 2 single crystal particles with the preferential orientation of {111} facets still remains a scientific and technological challenge. Here, we developed a facile route for fabrication of rutile TiO 2 nanorod crystals (RTiO 2 NRs) having high ratios of oxidative {111} to reductive {110} surfaces. RTiO 2 NRs were synthesized using a peroxo-titanium complex (PTC) approach, which was controlled by changing the Ti/H 2 O 2 ratio. The thus obtained RTiO 2 NRs revealed a high tendency to agglomerate through orientation-dependent attachment along the {110} facets. This resulted in an increased {111}/{110} surface ratio and led to a markedly improved photocatalytic activity of RTiO 2 NR aggregates. The reported findings illustrate the rich potential of the herein proposed facile and energy-efficient synthesis of nanostructured rutile TiO 2 -based photocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Oxidative Dehydrogenation of Propane to Propylene with Soft Oxidants via Heterogeneous Catalysis

Oxidative dehydrogenation of propane to propylene can be achieved using conventional, oxygen-assisted dehydrogenation of propane (O 2 –ODHP) or via the use of soft oxidants, such as CO 2 , N 2 O, S-containing compounds, and halogens/halides. The major roles of soft oxidants include inhibiting overoxidation and improving propylene selectivity, which are considered to be current challenges in O 2 -assisted dehydrogenation. For both CO 2 – and N 2 O–ODHP reactions, significant efforts have been devoted to developing redox-active (e.g., chromium, vanadate, iron, etc.), nonredox-type main group metal oxide (e.g., group IIIA, gallium), and other transition metal/metal oxide catalysts (e.g., molybdenum, palladium platinum, rhodium, ruthenium, etc.), as well as zeolite-based catalysts with adjustable acid–base properties, unique pore structures, and topologies. Metal sulfides have shown promising performance in DHP, whereas the development of suitable catalysts has lagged for SO 2 - or S-assisted ODHP. Recently, significant efforts have been focused on homogeneous and heterogeneous ODHP using halogens (e.g., Br 2 , I 2 , Cl 2 , etc.) and hydrogen halides (e.g., HCl and HBr) for the development of facile processes for C 3 H 6 synthesis. This work aims to provide a critical, comprehensive review of recent advances in oxidative dehydrogenation of propane with these soft oxidants, especially highlighting the current state of understanding of the following factors: (i) relationships between composition, structure, and catalytic performance, (ii) effects of the support, acidity, and promoters, (iii) reaction pathway and mechanistic insights, and (iv) the various roles of soft oxidants. Theoretical and computational insights toward understanding reaction mechanisms and catalyst design principles are also covered. Future research opportunities are discussed in terms of catalyst design and synthesis, deactivation and regeneration, reaction mechanisms, and alternative approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mechanochemistry-Induced Strong Metal–Support Interactions Construction toward Enhanced Hydrogenation

The construction of strong metal–support interactions (SMSIs) represented an attractive approach to producing supported noble metal nanocatalysts possessing enhanced stability by overlayer encapsulation. The development of facile approaches capable of achieving efficient, controllable, and extensive SMSI overlayer formation, particularly under neat and ambient conditions, is a long-standing challenge. In this work, a mechanochemistry-driven pathway was deployed for efficient and controllable SMSI construction under neat and ambient conditions to customize the capsulation degree and overlayer structures toward enhanced catalysis. The reducibility of the additives and the high interaction efficiency provided by the mechanochemical treatment could afford abundant active intermediates (e.g., Ti 3+ species and oxygen defects) within a short time to induce and tune the overlayer encapsulation. This facile approach could be extensively deployed to TiO2-derived nanocatalysts with diverse phases, diverse reducible metal oxides-involved systems, and different supported noble metal nanoparticles. Enhanced hydrogenation activity was achieved by the as-afforded nanocatalysts upon SMSI construction and further tuned by the encapsulation degree.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Growth of Low-Defect WSe 2 Film via High-Purity van der Waals Crystal Precursor

Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) exhibit exceptional electrical and optical properties, empowering their promising prospects for future nanoelectronics. Despite major advances in n-type 2D semiconductors, the field has yet to synthesize high-mobility p-type 2D TMDs, in particular WSe 2 , and systematically query the influence of defects. In this study, we unveil the pivotal role of substitutional impurity defects vis-à-vis the precursor used and growth method employed in defining the quality of 2D p-type WSe 2 . Density functional theory calculations suggest the adverse effect of Fe-, Co-, Ni- and Si-substituted W impurity defects on the mobility of WSe 2 , whereas defects such as O-, S-substituted Se and Mo-substituted W pose negligible impact. Guided by the theory, we pinpoint van der Waals (vdW) crystals, commonly used in mechanical exfoliation, as the optimal precursor, and develop a facile vdW crystal physical vapor deposition (PVD) method to grow high-purity monolayer 2D WSe 2 film (VPVD-WSe 2 ) that is continuous across a centimeter scale. A suite of spectroscopies confirms the markedly reduced defect density of the as-synthesized WSe 2 compared to those by typical chemical vapor deposition methods, and by PVD with commercial or hydrothermal precursors. Scanning tunneling microscopy further evidence the ultralow substitutional impurity defect density of VPVD-WSe 2 , greatly outperforming the control samples and approaching the mechanically exfoliated counterparts. The VPVD-WSe 2 based field-effect transistors exhibit notable electrical performance with record-high field-effect hole mobility up to 112 cm 2 V –1 s –1 at room temperature, exceeding the best-reported monolayer WSe 2 synthesized by chemical vapor deposition and rivaling the mechanically exfoliated 2D WSe 2 flakes.

WSe2↗

Transformation Kinetics of Phosphorus and Nitrogen in Iron-Rich Sewage Sludges during Hydrothermal Treatment and Recovery of Nutrients from Process Water

Hydrothermal treatment (HT) is an emerging technique for sustainable sewage sludge management and resource recovery. Many sludges are rich in iron (Fe) due to the common addition of Fe salts in water resource recovery facilities. To develop guidance for reaction conditions targeting nutrient recovery, this study systematically investigated the influence of HT temperature, treatment time, and sludge source on the dynamic speciation evolution of phosphorus (P) and nitrogen (N) during HT of Fe-rich sewage sludge. Complementary chemical extraction and X-ray spectroscopy analyses were conducted to characterize the treatment products. For the sludge mixture (a blend of primary and waste activated sludges), P speciation did not change significantly within 4.5 h at 125 °C HT, while soluble and labile P was converted into insoluble P over time at 175 and 225 °C HT. Strengite (FePO 4 · 2 H 2 O) preferentially formed in the hydrochars with increasing treatment temperature and/or time, whereas 125 °C HT within 1.5 h favored the formation of vivianite (Fe 3 (PO 4 ) 2 ·8H 2 O). Organic P was completely decomposed into orthophosphate when the HT temperature reached up to 175 °C. Pyrrole-N was enriched in the hydrochars. Similar reaction pathways were observed during HT of anaerobically digested sludge, though some minor differences in Fe-associated P and organic P were observed. Meanwhile, HT of the two sludges released orthophosphate and ammonia into the process waters at 175 and 225 °C, which can be recovered by a sequential process involving struvite (MgNH 4 PO 4 ·6H 2 O) precipitation and air stripping. This study provides new insights into the transformation of P and N during HT of Fe-rich sludges as well as a modular design for maximum P and N recovery from the treatment products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Molecular Engineering of Biorefining Lignin Waste for Solid-State Electrolyte

Lignin is the second most abundant renewable biopolymer on Earth but also a waste in both the paper industry and lignocellulosic biorefineries. Recently, lignin valorization has been extensively sought after to return economics, enhance carbon efficiency, and improve the bioeconomy, but the commercial value and size compatibility still hinder its applications. In this study, we developed a facile strategy to apply lignin waste into a solid-state electrolyte (SSE), which represents a safe next generation energy storage. Here, lignin was grafted with polyethylene glycol (PEG), an efficient lithium-ion (Li + ) conductive polymer, to enable its ion conduction. The synthesized PEG-g-lignin was mixed with poly(vinylidene fluoride)-co-hexafluoropropylene (PVDF-HFP) and PEG-g-lignin-based bis(trifluoromethanesulfonyl)imide (LiTFSI) to prepare a solid polymer electrolyte (SPE), which has an ionic conductivity of 2.5 × 10 –5 S/cm at 25 °C. This result was further enhanced to 6.5 × 10 –5 S/cm by adding an ion-conductive ceramic of Li 6.4 La 3 Ga 0.2 Zr 2 O 12 (LLGZO), which is referred to as composite polymer electrolyte (CPE). These data represent the highest ones among reported polymer-based SSE. A mechanistic study by using 2D HSQC NMR revealed that PEG-g-lignin has increased ether type β–O–4 linkages that can promote the interchain hopping of Li+ between lignin polymer chains, and 31 P NMR revealed that the lignin phenolic end can be associated by Li + . Moreover, the abundant aromatic moieties and methoxyl in PEG-g-lignin also enhanced Li + association and improved its ionic conductivity. The superior ionic conductivity of PEG-g-lignin-based SSE can enable massive applications of this biorefining waste in all-solid-state lithium batteries (ASSLBs), which has potential to promote the energy sector by promoting the bioeconomy and enhancing the renewability and sustainability of future energy storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polyethylene Upcycling to Liquid Alkanes in Molten Salts under Neat and External Hydrogen Source-Free Conditions

Development of facile approaches to convert plastic waste into liquid fuels under neat conditions is highly desired but challenging, particularly without noble metal catalysts and an external hydrogen source. Herein, highly efficient and selective polyethylene-to-gasoline oil (branched C 6 –C 12 alkanes) conversion was achieved under mild conditions (<170 °C) using commercially available AlCl 3 -containing molten salts as reaction media and to provide catalytic sites (no extra solvents, additives, or hydrogen feeding). The high catalytic efficiency and selectivity was ensured by the abundant active Al sites with strong Lewis acidity (comparable to the Al type in acidic zeolite) and highly ionic nature of the molten salts to stabilize the carbenium intermediates. Dynamic genesis of the Al sites was elucidated via time-resolved Al K-edge soft X-ray and 27 Al NMR, confirming the tricoordinated Al 3+ as active sites and its coordination with the as-generated alkene/aromatic intermediates. Further, the carbenium formation and polyethylene chain variation was illustrated by inelastic neutron scattering (INS) and an isotope-labeling experiment. Theoretical simulations further demonstrated the successive hydride abstraction, β-scission, isomerization, and internal hydrogen transfer reaction pathway with AlCl 3 as active sites. This facile catalytic system can further achieve the conversion of robust, densely assembled, and high molecular weight plastic model compounds to liquid alkane products in the diesel range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Free-standing ultrathin lithium metal–graphene oxide host foils with controllable thickness for lithium batteries

Thin (≤20 μm) and free-standing Li metal foils would enable precise prelithiation of anode materials and high-energy-density Li batteries. Existing Li metal foils are too thick (typically 50 to 750 μm) or too mechanically fragile for these applications. Here, we developed a facile and scalable process for the synthesis of an ultrathin (0.5 to 20 μm), free-standing and mechanically robust Li metal foil within a graphene oxide host. In addition to low areal capacities of ~0.1 to 3.7 mAh cm –2 , this Li foil also has a much-improved mechanical strength over conventional pure Li metal foil. Our Li foil can improve the initial Coulombic efficiency of graphite (93%) and silicon (79.4%) anodes to around 100% without generating excessive Li residue, and increases the capacity of Li-ion full cells by 8%. In conclusion, the cycle life of Li metal full cells is prolonged by nine times using this thin Li composite anode.

25 ENERGY STORAGE↗

Foil backlighter development at the OMEGA laser facility for extended x-ray absorption fine structure experiments

Extended x-ray absorption fine structure (EXAFS) measurements require a bright and continuous x-ray source and a detection system with high spectral resolution to capture the modulations of the absorption coefficient above the material absorption edge. When performing EXAFS measurements under laser-driven dynamic compression, it is hence critical to optimize the backlighter x-ray emission. In this study, a series of experiments has been conducted at the OMEGA laser facility to characterize titanium (Z = 22), iron (Z = 26), germanium (Z = 32), molybdenum (Z = 42), silver (Z = 47), and gold (Z = 79) foil backlighters irradiated with 3 kJ–12 kJ of laser energy. The spectra have been recorded using a dual crystal spectrometer (DCS), a two-channel transmission spectrometer covering 11 keV–45 keV and 19 keV–90 keV energy bands. The DCS has been calibrated so that the spectral intensities can be compared between different campaigns.

47 OTHER INSTRUMENTATION↗

Measurements of K-edge and L-edge extended x-ray absorption fine structure at the national ignition facility (invited)

High-energy-density laser facilities and advances in dynamic compression techniques have expanded access to material states in the Terapascal regime relevant to inertial confinement fusion, planetary science, and geophysics. However, experimentally determining the material temperature in these extreme conditions has remained a difficult challenge. Extended X-ray Absorption Fine Structure (EXAFS), referring to the modulations in x-ray absorption above an absorption edge from photoelectrons’ interactions with neighboring atoms, has proven to be a versatile and robust technique for probing material temperature and density for mid-to-high Z elements under dynamic compression. The current platform at the National Ignition Facility has developed six configurations for EXAFS measurements between 7 and 18 keV for different absorption edges (Fe K, Co K, Cu K, Ta L3, Pb L3, and Zr K) using a curved-crystal spectrometer and a bright, continuum foil x-ray source. Here, in this work, we describe the platform geometry, x-ray source performance, spectrometer resolution and throughput, design considerations, and data in ambient and dynamic-compression conditions.

36 MATERIALS SCIENCE↗

Three-colour digital holographic microscopy based on a Mach – Zender interferometer and a solid-state RGB laser

We have developed a facility for recording colour digital holograms involving a Mach – Zender interferometer and a pulsed solid-state RGB laser, which radiates simultaneously at three wavelengths: 451, 532, and 634 nm. These wavelengths are obtained in the conversion of the radiation of a pulsed Nd{sup 3+} : YAG laser (1064 nm), which operates in the regime of intracavity parametric oscillation at a wavelength of 1570 nm, with the subsequent conversion of its frequencies to the red, green, and blue spectral regions in nonlinear KTP-crystal elements. The combination of this three-wavelength pulsed light source with the Mach – Zender interferometer provides the simultaneous recording of three spectral digital holograms with one matrix RGB radiation detector. Pulsed three-colour digital holography shows promise for the analysis of fast processes and rapidly varying colour phase objects. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Roadmap on cosmic EUV and x-ray spectroscopy

Cosmic EUV/x-ray spectroscopists, including both solar and astrophysical analysts, have a wide range of high-resolution and high-sensitivity tools in use and a number of new facilities in development for launch. As this bandpass requires placing the spectrometer beyond the Earth’s atmosphere, each mission represents a major investment by a national space agency such as NASA, ESA, or JAXA, and more typically a collaboration between two or three. In general justifying new mission requires an improvement in capabilities of at least an order of magnitude, but the sensitivity of these existing missions are already taxing existing atomic data quantity and accuracy. This roadmap reviews the existing missions, showing how in a number of areas atomic data limits the science that can be performed. The missions that will be launched in the coming Decade will without doubt require both more and improved measurements of wavelengths and rates, along with theoretical calculations of collisional and radiative cross sections for a wide range of processes.

79 ASTRONOMY AND ASTROPHYSICS↗

Methods to Account for CAP-88 PC-Omitted Nuclides in Radioactive Air Emissions From DOE Facilities

Routine research and development activities at US Department of Energy facilities can result in the release of radioactive emissions, potentially exposing the public and the environment. Such emissions are subject to certain Clean Air Act regulations, specifically those outlined in 40 CFR Part 61, Subpart H, which are enforced by the US Environmental Protection Agency. Compliance is determined in part with a dose standard. Doses to members of the public from most US Department of Energy facility airborne emissions are modeled using CAP-88 PC software, the latest version of which contains more than 1,200 radionuclides. Radioactive effluents from US Department of Energy facilities may contain radioisotopes that are not available in CAP-88 PC, and those radioisotopes must still be evaluated to determine whether doses to members of the public are below established limits. CAP-88 PC-omitted radionuclides can be accounted for using alternate methods, including the use of surrogate radionuclides. Here, this paper elucidates the process of accounting for CAP-88 PC-omitted radionuclides by providing criteria and rationale for surrogate selection, a compilation of surrogate radionuclides used in the past by US Department of Energy facilities, a discussion of alternate methods used to account for CAP-88 PC-omitted radionuclides and a comparison of methods and impacts on receptor doses. Ultimately, this paper aims to aid in the process of surrogate selection and consequently to simplify and expedite compliance with Clean Air Act regulations.

61 RADIATION PROTECTION AND DOSIMETRY↗

Autonomy Loops for Monitoring, Operational Data Analytics, Feedback, and Response in HPC Operations

Many High Performance Computing (HPC) facilities have developed and deployed frameworks in support of continuous monitoring and operational data analytics (MODA) to help improve efficiency and throughput. Because of the complexity and scale of systems and workflows and the need for low-latency response to address dynamic circumstances, automated feedback and response have the potential to be more effective than current human-in-the-loop approaches which are laborious and error prone. Progress has been limited, however, by factors such as the lack of infrastructure and feedback hooks, and successful deployment is often site- and case-specific. In this position paper we report on the outcomes and plans from a recent Dagstuhl Seminar, seeking to carve a path for community progress in the development of autonomous feedback loops for MODA, based on the established formalism of similar (MAPE-K) loops in autonomous computing and self-adaptive systems. By defining and developing such loops for significant cases experienced across HPC sites, we seek to extract commonalities and develop conventions that will facilitate interoperability and interchangeability with system hardware, software, and applications across different sites, and will motivate vendors and others to provide telemetry interfaces and feedback hooks to enable community development and pervasive deployment of MODA autonomy loops.

autonomy loops↗

Accelerating Large-Format Metal Additive Manufacturing: How Controls R&D is Driving Speed, Scale, and Efficiency

This article highlights work at Oak Ridge National Laboratory’s Manufacturing Demonstration Facility to develop closed-loop, feedback control for laser-wire based Directed Energy Deposition, a form of metal Big Area Additive Manufacturing (m-BAAM), a process being developed in partnership with GKN Aerospace specifically for the production of Ti-6Al-4V pre-forms for aerospace components. A large-scale structural demonstrator component is presented as a case-study in which not just control, but the entire 3D printing workflow for m-BAAM is discussed in detail, including design principles for large-format metal AM, toolpath generation, parameter development, process control, and system operation, as well as post-print net-shape geometric analysis and finish machining. In terms of control, a multi-sensor approach has been utilized to measure both layer height and melt pool size, and multiple modes of closed-loop control have been developed to manipulate process parameters (laser power, print speed, deposition rate) to control these variables. Layer height control and melt pool size control have yielded excellent local (intralayer) and global (component-level) geometry control, and the impact of melt pool size control in particular on thermal gradients and material properties is the subject of continuing research. Further, these modes of control have allowed the process to advance to higher deposition rates (exceeding 7.5 lb/hr), larger parts (1-meter scale), shorter build times, and higher overall efficiency. The control modes are examined individually, highlighting their development, demonstration, and lessons learned, and it is shown how they operate concurrently to enable the printing of a large-scale, near net shape Ti-6Al-4V component.

Gibson, Brian↗