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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 1,207 records · Page 67

Structure of coagulation factor VIII bound to a patient-derived anti-C1 domain antibody inhibitor

The development of pathogenic antibody inhibitors against coagulation factor VIII (FVIII) occurs in ~30% of congenital hemophilia A patients receiving FVIII replacement therapy as well as in all cases of acquired hemophilia A. KM33 is an anti-C1 domain antibody inhibitor previously isolated from a severe hemophilia A patient. In addition to potently blocking FVIII binding to von Willebrand factor and phospholipid surfaces, KM33 disrupts FVIII binding to lipoprotein receptor-related protein 1 (LRP1), which drives FVIII hepatic clearance and antigen presentation in dendritic cells. Here, we report on the structure of FVIII bound to NB33, a recombinant derivative of KM33, by single-particle cryo-electron microscopy. Furthermore, structural analysis reveals the NB33 epitope localizes to FVIII residues R2090-S2094 and I2158-R2159 which constitute membrane-binding loops in the C1 domain. Further analysis reveals multiple FVIII lysine and arginine residues, previously shown to mediate binding to LRP1, dock onto an acidic cleft at the NB33 variable domain interface, thus blocking a putative LRP1 binding site. Together, these results demonstrate a novel mechanism of FVIII inhibition by a patient-derived antibody inhibitor and provide structural evidence toward engineering FVIII with reduced LRP1-mediated clearance.

59 BASIC BIOLOGICAL SCIENCES↗

Structural basis for antibody binding to adenylate cyclase toxin reveals RTX linkers as neutralization-sensitive epitopes

RTX leukotoxins are a diverse family of prokaryotic virulence factors that are secreted by the type 1 secretion system (T1SS) and target leukocytes to subvert host defenses. T1SS substrates all contain a C-terminal RTX domain that mediates recruitment to the T1SS and drives secretion via a Brownian ratchet mechanism. Neutralizing antibodies against the Bordetella pertussis adenylate cyclase toxin, an RTX leukotoxin essential for B . pertussis colonization, have been shown to target the RTX domain and prevent binding to the α M β 2 integrin receptor. Knowledge of the mechanisms by which antibodies bind and neutralize RTX leukotoxins is required to inform structure-based design of bacterial vaccines, however, no structural data are available for antibody binding to any T1SS substrate. Here, we determine the crystal structure of an engineered RTX domain fragment containing the α M β 2 -binding site bound to two neutralizing antibodies. Notably, the receptor-blocking antibodies bind to the linker regions of RTX blocks I–III, suggesting they are key neutralization-sensitive sites within the RTX domain and are likely involved in binding the α M β 2 receptor. As the engineered RTX fragment contained these key epitopes, we assessed its immunogenicity in mice and showed that it elicits similar neutralizing antibody titers to the full RTX domain. The results from these studies will support the development of bacterial vaccines targeting RTX leukotoxins, as well as next-generation B . pertussis vaccines.

59 BASIC BIOLOGICAL SCIENCES↗

Foamed Cement Interactions with CO 2

Geologic carbon storage (GCS) is a potentially viable strategy to reduce greenhouse emissions. Understanding the risks to engineered and geologic structures associated with GCS is an important first step towards developing practices for safe and effective storage. The widespread utilization of foamed cement in wells may mean that carbon dioxide (CO 2 )/brine/foamed cement reactions may occur within these GCS sites. Characterizing the difference in alteration rates as well as the physical and mechanical impact of CO 2 /brine/foamed cement is an important preliminary step to ensuring offshore and onshore GCS is a prudent anthropogenic CO 2 mitigation choice.

36 MATERIALS SCIENCE↗

Mitigation of Safety and Environmental Challenges Posed by Low and Ultra-low GWP Refrigerants

The abatement of safety and environmental burden associated with low and ultra-low Global Warming Potential (GWP) refrigerants is a critical undertaking. As the industry shifts towards more environmentally friendly alternatives, mitigating the potential risks and ensuring safety standards becomes paramount. The adoption of low GWP and ultra-low GWP refrigerants contributes significantly to minimizing the greenhouse gas impact on the environment, aligning with global climate and sustainability goals. However, it is essential to address safety concerns and potential environmental implications associated with the end use of these refrigerants.A method to mitigate the safety risk in a flammable refrigerant based HVACR system is the primary focus of this paper. Advent of A2L and A3 refrigerants as replacements to high GWP refrigerants requires careful handling of leak episodes to lower or eliminate the risk associated with creating flammable mixtures capable of fire/explosion hazard. Solid materials tailored to target the molecule of interest (i.e., refrigerant.) by engineering the microporous structure as well as chemically functionalizing the surface to attract and hold on to the chemical compound being removed from the gas stream was realized. Additionally, a chromatic transformation technique is investigated for rapid on-site analysis of refrigerant blends. Preliminary results demonstrating the feasibility of both of these methods for successful deployment of low-GWP refrigerants are presented.

Cheekatamarla, Praveen↗

Foamed Cement Interactions with CO 2

Geologic carbon storage (GCS) is a potentially viable strategy to reduce greenhouse emissions. Understanding the risks to engineered and geologic structures associated with GCS is an important first step towards developing practices for safe and effective storage. The widespread utilization of foamed cement in wells may mean that carbon dioxide (CO 2 )/brine/foamed cement reactions may occur within these GCS sites. Characterizing the difference in alteration rates as well as the physical and mechanical impact of CO 2 /brine/foamed cement is an important preliminary step to ensuring offshore and onshore GCS is a prudent anthropogenic CO 2 mitigation choice. In a typical oil and gas well, cement is placed in the annulus between the steel casing and formation rock for both zonal isolation and casing support. The cement must have sufficient strength to secure the casing in the hole and withstand the stress of drilling, perforating, and fracturing (e.g. API, 1997, 2010 Worldwide Cementing Practices). As such, measuring the mechanical and properties of cement is an important step in predicting cement behavior under applied downhole stresses (Nelson, 2006). Zonal isolation is the prevention of fluids migrating to different zones outside of the casing and is strongly impacted by the permeability of the wellbore cement (Nelson, 2006). Zonal isolation depends on both the mechanical behavior and permeability (a physical property) of the cement (Mueller and Eid, 2006; Nelson, 2006). Long-term integrity of cement depends on the mechanical properties of the cement sheath, such as Young’s Modulus (Griffith et al., 2004). The cement sheath’s ability to withstand the stresses from changes in pressure and temperature is predominantly determined by the mechanical properties, including Young’s modulus, Poisson’s ratio, and tensile strength. Any geochemical alteration may impact both the mechanical and physical properties of the cement, thus ultimately impacting the structural integrity of the wellbore. In this study, atmospheric foamed cements were generated using a neat cement and three foam qualities (volume of entrained gas in the cement) - 10%, 20%, and 30 % gas volume. The samples were immersed in a 0.25 M NaCl brine followed by the injection of supercritical CO 2 at 28.9 MPa and 50°C. Petrophysical properties were examined for representative samples using computed tomography (CT) and scanning electron microscopy (SEM). CT scanning of representative samples across the range of reacted cements revealed macroscopic changes in structure due to brine/CO 2 /cement interactions. The high foam quality samples resulted in more CO 2 -saturated brine infiltrating radially deeper into the cement and thus were more susceptible to alteration. After 56 days of exposure, the 30% foam quality sample had the most reaction resulting in an alteration depth of 8.35 ± 0.13 mm with a calculated 34.6 ± 0.2% reacted area and 5.76 ± 0.2% reacted pore space area. The neat sample on the other hand, had a reaction depth of 0.31 ± 0.13 mm with a calculated 0.15 ± 0.08% reacted area and 0.57 ± 0.05% reacted pore area. Physical measurements of the exposed samples were consistent with this degree of alteration having 47.02% porosity and the highest permeability of 0.041 mD. These results indicate that the greater surface area provided by the increase of pore space in the higher quality foam coupled with carbonate diffusion reactions enabled greater alteration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Foamed Cement Interactions with CO 2

Geologic carbon storage (GCS) is a potentially viable strategy to reduce greenhouse emissions. Understanding the risks to engineered and geologic structures associated with GCS is an important first step towards developing practices for safe and effective storage. The widespread utilization of foamed cement in wells may mean that carbon dioxide (CO 2 )/brine/foamed cement reactions may occur within these GCS sites. Characterizing the difference in alteration rates as well as the physical and mechanical impact of CO 2 /brine/foamed cement is an important preliminary step to ensuring offshore and onshore GCS is a prudent anthropogenic CO 2 mitigation choice.

20 FOSSIL-FUELED POWER PLANTS↗

Mechanical Characterization of Woven Composites at Different Temperatures

This work is to characterize the mechanical properties of the selected composites along both on- and off- fiber axes at the ambient loading condition (+25°C), as well as at the cold (-54°C), and high temperatures (+71°C). A series of tensile experiments were conducted at different material orientations of 0°, 22.5°, 45°, 67.5°, 90° to measure the ultimate strength and strain $σ_{f}, ϵ_{f}$, and material engineering constants, including Young's modulus Ε and Poisson's ratio ν. The composite materials in this study were one carbon composite carbon (AS4C/UF3662) and one E-galss (E-glass/UF3662) composite. They both had the same resin of UF 3362, but with different fibers of carbon AS4C and E-glass. The mechanical loading in this study was limited to the quasi-static loading of 2 mm/min (1.3x10 ^(-3) in/s), which was equivalent to 5x10 (-4) strain rate. These experimental data of the mechanical properties of composites at different loading directions and temperatures were summarized and compared. These experimental results provided database for design engineers to optimize structures through ply angle modifications and for analysts to better predict the component performance.

36 MATERIALS SCIENCE↗

DOE BES: Directed Assembly of Bio-inspired Supramolecular Materials for Energy Transport and Capture: Mesoscale Construction of Functional Materials in Hydrodynamic Flows. Final Project Report

The precise engineering of mesoscale structures based on molecular building blocks holds enormous promise to catalyze the development of new functional materials for advanced energy technologies. Bio-inspired and synthetic/bio-hybrid systems can play a key role in this effort due to their inherent programmable function and high degrees of sequence control. Despite recent progress, the ability to precisely control the supramolecular assembly of bio-hybrid molecules remains a central problem in the field. Our research aims to fundamentally understand the assembly mechanism of bio-hybrid materials, specifically focusing on sequence-controlled synthetic pi-conjugated oligopeptides. Moreover, we aim to develop new methods for the directed assembly of materials based on tailored fluid flows to guide the emergent structural, optical, and electronic properties of synthetic pi-conjugated peptides. Overall, our team has made substantial progress on this project through four major Thrusts: (1) Understanding the role of kinetics on the assembly process of synthetic π-conjugated peptides. (2) Probing the role of chemistry on the structural properties of these materials. (3) Real-time in situ investigation of the sol-gel transition and assembly of π-conjugated peptides. (4) Achieving large-area macroscopic alignment and assembly of these materials. In the following report, we explain major research progress in each of these research Thrusts.

59 BASIC BIOLOGICAL SCIENCES↗

9 th American Conference on Neutron Scattering (ACNS 2018)

The 9th American Conference on Neutron Scattering (ACNS) was held June 24-28, 2018 in College Park, Maryland. The meeting was coordinated by the Neutron Scattering Society of America (NSSA) and attracted 335 registered attendees. The meeting was chaired by NSSA vice president Patrick Woodward (The Ohio State University) assisted by NSSA president Despina Louca (University of Virginia, NSSA secretary Katherine Page (Oak Ridge National Laboratory), and local organizing chairs Rob Briber (University of Maryland) and Peter Gehring (NIST Gaithersburg). As in past years, the Materials Research Society assisted with planning, logistics and operation of the conference. The meeting schedule consisted of a morning common session featuring a lecture by a scientist receiving an award from the NSSA and a plenary lecture. The remainder of the scientific program consisted of four parallel sessions featuring invited and contributed talks together with poster sessions in the afternoon / evening. The science program was coordinated by program co-chairs Efrain Rodriguez (University of Maryland) and Matt Helgeson (University of California Santa Barbara) and was divided into the following research areas: (a) Advances in Neutron Methods; (b) Hard Condensed Matter; (c) Soft Matter; (d) Biological Structures and Dynamics; (e) Neutrons for Energy and Sustainability; (f) Materials Chemistry and Synthesis; (g) Structural Materials and Engineering; and (h) Neutron Physics.

36 MATERIALS SCIENCE↗

P2 September EPC Monthly Program Review [Slides]

Pollution Prevention (P2) Program Overview: Reduce or eliminate waste wherever possible through structural change; Provide engineering and technical support and funding for innovation.

54 ENVIRONMENTAL SCIENCES↗

Nanoporous Wood Chips Based Sizable, Robust, and Low-Cost Honeycomb Vacuum Insulation Panels (DOE BENEFIT Final Research Performance Progress Report (RPPR))

Conventional vacuum insulation panels (VIPs) suffer from severe limitations including high cost, vulnerability to perforation, and significant performance degradation over time due to vacuum loss. InventWood Inc. (IW) and partnering teams completely re-engineered the VIP structure by constructing arrays of isolated vacuum-cells to enable limited cutting at designated areas (in between vacuum cells) and reduced consequential vacuum loss due to puncture. The teams also replaced the expensive vacuum insulation core materials with a low-cost commercial wood pulp and recycled long fiber. The wood pulp derived VIP can deliver an overall panel insulation of R15 (<0.01W/m·K) with over 90% thermal resistance retention after cutting (R13.5 overall, R5 along the cut edges). In addition, the vacuum-cell-array design minimizes edge losses, resulting in more durable performance, longer service life (>50 years), and higher R-value per dollar towards a cost target of <$1/ft 2 ·in. It is anticipated that the Nanochip-VIP will attract strong market interest and become an affordable insulation solution for energy efficient buildings and retrofits, leading to significant reductions in energy usage.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Analysis of the Fatigue Strength of Welds in Terms of Local Stress

A local approach is developed for calculating the fatigue strength of welded metal structures, selecting the basic weld structure, and identifying the group of welded structures corresponding to that basic structure. To that end, the stress state of typical welded structures is analyzed on the basis of two-level stress concentrators. The results may be used to develop standards for calculating the fatigue strength of welded metal structures.

42 ENGINEERING↗

Robots in the Production of Polymer-Composite Components

Two robot systems for the shaping and machining of polymer-composite products are described. In the shaping system, an industrial robot lays out the fibers as prepreg tape. In the machining system, the boring and milling of polymer composites is improved. This system is adapted for the machining of sound-absorbing structures in airplane engines,.

42 ENGINEERING↗

Crystal Plasticity Simulation of Magnesium and Its Alloys: A Review of Recent Advances

Slip and extension twinning are the dominant deformation mechanisms in Magnesium (Mg) and its alloys. Crystal plasticity is a powerful tool to study these deformation mechanisms. Different schemes have incorporated crystal plasticity models to capture different properties, which vary from the simple homogenization Taylor model to the full-scale crystal plasticity finite element model. In the current study, a review of works available in the literature that addresses different properties of Mg and its alloys using crystal plasticity modes is presented. In addition to slip and twinning, detwinning is another deformation mechanism that is activated in Mg and its alloys. The different models that capture detwinning will also be addressed here. Finally, the recent experimental frameworks, such as in-situ neutron diffraction, 3D high energy synchrotron X-ray techniques, and digital image correlation under scanning electron microscopy (SEM-DIC), which are incorporated along crystal plasticity models to investigate the properties of Mg and its alloys, are addressed. Future research directions towards improving the deformation response of Mg and its alloys are identified, which can lead to increased deployment of the lightest structural metal in engineering applications.

36 MATERIALS SCIENCE↗

In-Situ Calibrated Modeling of Residual Stresses Induced in Machining under Various Cooling and Lubricating Environments

Although many functional characteristics, such as fatigue life and damage resistance depend on residual stresses, there are currently no industrially viable ‘Digital Process Twin’ models (DPTs) capable of efficiently and quickly predicting machining-induced stresses. By leveraging advances in ultra-high-speed in-situ experimental characterization of machining and finishing processes under plane strain (orthogonal/2D) conditions, we have developed a set of physics-based semi-analytical models to predict residual stress evolution in light of the extreme gradients of stress, strain and temperature, which are unique to these thermo-mechanical processes. Initial validation trials of this novel paradigm were carried out in Ti-6Al4V and AISI 4340 alloy steel. A variety dry, cryogenically cooled and oil lubricated conditions were evaluated to determine the model’s ability to capture the tribological changes induced due to lubrication and cooling. The preliminarily calibrated and validated model exhibited an average correlation of better than 20% between the predicted stresses and experimental data, with calculation times of less than a second. Based on such fast-acting DPTs, the authors envision future capabilities in pro-active surface engineering of advanced structural components (e.g., turbine blades).

36 MATERIALS SCIENCE↗

Wire bundle formed into grids with minute interstices

Deforming the ends of a bundle of closely packed parallel wires to restrict the interstices to substantially uniform and minute dimensions produces grids or filters for ion engines. Porous metal structures made by this process are also used as fuel cell electrodes, diffusion membranes, and catalysts.

Todd, H. H.↗

Development of porous ionizer materials.

Porous structures for ion engine application, discussing ionizer materials preparation, based on powder metallurgy and two-phase tungsten base alloy

POWDER METALLURGY↗