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At least 1,117 records · Page 62

Experimentally informed structure optimization of amorphous TiO 2 films grown by atomic layer deposition

Amorphous titanium dioxide TiO 2 (a-TiO 2 ) has been widely studied, particularly as a protective coating layer on semiconductors to prevent corrosion and promote electron–hole conduction in photoelectrochemical reactions. The stability and longevity of a-TiO 2 is strongly affected by the thickness and structural heterogeneity, implying that understanding the structure properties of a-TiO 2 is crucial for improving the performance. This study characterized the structural and electronic properties of a-TiO 2 thin films (~17 nm) grown on Si by atomic layer deposition (ALD). Fluctuation spectra V(k) and angular correlation functions were determined with 4-dimensional scanning transmission electron microscopy (4D-STEM), which revealed the distinctive medium-range ordering in the a-TiO 2 film. A realistic atomic model of a-TiO 2 was established guided by the medium-range ordering and the previously reported short-range ordering of a-TiO 2 film, as well as the interatomic potential. The structure was optimized by the StructOpt code using a genetic algorithm that simultaneously minimizes energy and maximizes the match to experimental short- and medium-range ordering. The StructOpt a-TiO 2 model presents improved agreements with the medium-range ordering and the k-space location of the dominant 2-fold angular correlations compared with a traditional melt-quenched model. The electronic structure of the StructOpt a-TiO 2 model was studied by ab initio calculations and compared to the crystalline phases and experimental results. Finally, this work uncovered the medium-range ordering in a-TiO 2 thin films and provided a realistic a-TiO 2 structure model for further investigation of structure–property relationships and materials design. In addition, the improved multi-objective optimization package StructOpt was provided for structure determination of complex materials guided by experiments and simulations.

36 MATERIALS SCIENCE↗

Confirmation of Radiological Non-Impact Status for TA-16-380

Environmental Protection and Compliance, Environmental Stewardship (EPC-ES) has evaluated radiological process knowledge and surveys and found that the structure and associated building materials in Technical Area 16 Building 380 (TA-16-380) are candidates for unrestricted use and public release. This finding is consistent with the requirements of DOE Order 458.1, Radiation Protection of the Public and the Environment and LANL Procedure FSD-004, Environmental Radiation Protection.

54 ENVIRONMENTAL SCIENCES↗

Structure of the poxvirus decapping enzyme D9 reveals its mechanism of cap recognition and catalysis

Poxviruses encode decapping enzymes that remove the protective 5' cap from both host and viral mRNAs to commit transcripts for decay by the cellular exonuclease Xrn1. Decapping by these enzymes is critical for poxvirus pathogenicity by means of simultaneously suppressing host protein synthesis and limiting the accumulation of viral double-stranded RNA (dsRNA), a trigger for antiviral responses. Here we present a high-resolution structural view of the vaccinia virus decapping enzyme D9. This Nudix enzyme contains a domain organization different from other decapping enzymes in which a three-helix bundle is inserted into the catalytic Nudix domain. The 5' mRNA cap is positioned in a bipartite active site at the interface of the two domains. Specificity for the methylated guanosine cap is achieved by stacking between conserved aromatic residues in a manner similar to that observed in canonical cap-binding proteins VP39, eIF4E, and CBP20, and distinct from eukaryotic decapping enzyme Dcp2.

59 BASIC BIOLOGICAL SCIENCES↗

The Presence of Virus Neutralizing Antibodies Is Highly Associated with Protection against Virulent Challenge in Domestic Pigs Immunized with ASFV live Attenuated Vaccine Candidates

African swine fever virus (ASFV) is currently producing a pandemic affecting a large area of Eurasia, and more recently, the Dominican Republic in the Western Hemisphere. ASFV is a large and structurally complex virus with a large dsDNA genome encoding for more than 150 genes. Live attenuated virus strains can induce protection in domestic swine against disease produced by homologous virulent parental viruses. The roles of the different immune mechanisms induced by the attenuated strains in protection still need to be understood. In particular, the role of ASFV neutralizing antibody in protection still is an important controversial issue to be elucidated. Here we present the development of a novel methodology to detect virus neutralizing antibodies based on the reduction of virus infectivity in a Vero cell adapted ASFV strain. The described method was used to assess levels of virus neutralizing antibodies in domestic swine inoculated with live attenuated ASFV. Results demonstrated a high association between the presence of virus neutralizing antibodies and protection in 84 animals immunized with the recombinant vaccine candidates ASFV-G-Δ9GL/ΔUK or ASFV-G-ΔI177L. To our knowledge, this is the first report demonstrating an association between virus neutralizing antibodies and protection against virulent challenge in such a large number of experimental individuals.

59 BASIC BIOLOGICAL SCIENCES↗

Prediction and verification of creep behavior in metallic materials and components for the space shuttle thermal protection system. Volume 3, phase 3: Full size heat shield data correlation and design criteria

Analysis methods for predicting cyclic creep deflection in stiffened metal panel structures, were applied to full size panels. Results were compared with measured deflections from cyclic tests of thin gage L605, Rene' 41, and TDNiCr full size corrugation stiffened panels. A design criteria was then formulated for metallic thermal protection panels subjected to creep. A computer program was developed to calculate creep deflections.

Cramer, B. A.↗

Radiation Shielding Materials Containing Hydrogen, Boron, and Nitrogen: Systematic Computational and Experimental Study

The key objectives of this study are to investigate, both computationally and experimentally, which forms, compositions, and layerings of hydrogen, boron, and nitrogen containing materials will offer the greatest shielding in the most structurally robust combination against galactic cosmic radiation (GCR), secondary neutrons, and solar energetic particles (SEP). The objectives and expected significance of this research are to develop a space radiation shielding materials system that has high efficacy for shielding radiation and that also has high strength for load bearing primary structures. Such a materials system does not yet exist. The boron nitride nanotube (BNNT) can theoretically be processed into structural BNNT and used for load bearing structures. Furthermore, the BNNT can be incorporated into high hydrogen polymers and the combination used as matrix reinforcement for structural composites. BNNT's molecular structure is attractive for hydrogen storage and hydrogenation. There are two methods or techniques for introducing hydrogen into BNNT: (1) hydrogen storage in BNNT, and (2) hydrogenation of BNNT (hydrogenated BNNT). In the hydrogen storage method, nanotubes are favored to store hydrogen over particles and sheets because they have much larger surface areas and higher hydrogen binding energy. The carbon nanotube (CNT) and BNNT have been studied as potentially outstanding hydrogen storage materials since 1997. Our study of hydrogen storage in BNNT - as a function of temperature, pressure, and hydrogen gas concentration - will be performed with a hydrogen storage chamber equipped with a hydrogen generator. The second method of introducing hydrogen into BNNT is hydrogenation of BNNT, where hydrogen is covalently bonded onto boron, nitrogen, or both. Hydrogenation of BN and BNNT has been studied theoretically. Hyper-hydrogenated BNNT has been theoretically predicted with hydrogen coverage up to 100% of the individual atoms. This is a higher hydrogen content than possible with hydrogen storage; however, a systematic experimental hydrogenation study has not been reported. A combination of the two approaches may be explored to provide yet higher hydrogen content. The hydrogen containing BNNT produced in our study will be characterized for hydrogen content and thermal stability in simulated space service environments. These new materials systems will be tested for their radiation shielding effectiveness against high energy protons and high energy heavy ions at the HIMAC facility in Japan, or a comparable facility. These high energy particles simulate exposure to SEP and GCR environments. They will also be tested in the LaRC Neutron Exposure Laboratory for their neutron shielding effectiveness, an attribute that determines their capability to shield against the secondary neutrons found inside structures and on lunar and planetary surfaces. The potential significance is to produce a radiation protection enabling technology for future exploration missions. Crew on deep space human exploration missions greater than approximately 90 days cannot remain below current crew Permissible Exposure Limits without shielding and/or biological countermeasures. The intent of this research is to bring the Agency closer to extending space missions beyond the 90-day limit, with 1 year as a long-term goal. We are advocating a systems solution with a structural materials component. Our intent is to develop the best materials system for that materials component. In this Phase I study, we have shown, computationally, that hydrogen containing BNNT is effective for shielding against GCR, SEP, and neutrons over a wide range of energies. This is why we are focusing on hydrogen containing BNNT as an innovative advanced concept. In our future work, we plan to demonstrate, experimentally, that hydrogen, boron, and nitrogen based materials can provide mechanically strong, thermally stable, structural materials with effective radiation shielding against GCR, SEP, and neutrons.

Radiation↗

Topological electride phase of sodium at high pressures and temperatures

Sodium, a textbook example of a nearly-free-electron metal, exhibits unforeseen pressure-induced behavior including the stabilization of numerous polymorphs—some possessing extremely complex unit cells—as well as a metal-to-insulator transition to the iconic hP4 phase. However, until recently, most of the experimental and theoretical studies on solid sodium have been restricted to the low-temperature regime. In this work, using ab initio evolutionary structure searches coupled with quasiharmonic calculations, we discover seven new phases of sodium that are more stable than the known hP4 phase at pressure-temperature conditions that were recently attained in ramp-compression experiments. From these, our calculations suggest that P6 3 /m Na is the ground state between ≈250 GPa at 710 K and ≈350 GPa at 1900 K. Electronic structure calculations show that this phase is a topological semimetal with a Dirac nodal surface that is protected by a nonsymmorphic symmetry S 2z and an electride owing to its non-nuclear charge localized within one-dimensional honeycomb channels and zero-dimensional cages. Our results highlight the complexity of dense sodium's free-energy landscape and intricate electronic structure that emerges at finite temperatures and conditions where ionic cores overlap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Aluminum 2219-T87 and 5456-H116 - A comparative study of spacecraft wall materials in dual-wall structures under hypervelocity impact

All earth-orbiting spacecraft are susceptible to high-speed impacts by pieces of orbital debris. To prevent mission failure and possibly loss of life, protection against perforation by high-speed orbital debris particles must be included in the spacecraft design. Although any number of materials can be used to manufacture perforation-resistant structures, aluminum is often used in such systems because of its relatively high strength-to-weight ratio. This paper presents the results of a study in which the high speed impact response characteristics of dual-wall structures made from two different aluminum alloys were analyzed to determine which alloy would be more suitable for use in a perforation-resistant dual-wall structural system that is to be exposed to the orbital debris environment. Impact response characteristics were obtained numerically and experimentally. At impact speeds below 7 km/s, it was found that the two aluminum alloys considered contributed similar levels of perforation resistance; at speeds in excess of 7 km/s, aluminum 2219-T87 was superior to aluminum 5546-H116 in preventing perforation of dual-wall structural systems.

Schonberg, William P.↗

Real-Time X-ray Radiography Diagnostics of Components in Solid Rocket Motors

Solid rocket motors (SRMs) typically use nozzle materials which are required to maintain their shape as well as insulate the underlying support structure during the motor operation. In addition, SRMs need internal insulation materials to protect the motor case from the harsh environment resulting from the combustion of solid propellant. In the nozzle, typical materials consist of high density graphite, carbon-carbon composites and carbon phenolic composites. Internal insulation of the motor cases is typically a composite material with carbon, asbestos, Kevlar, or silica fibers in an ablative matrix such as EPDM or NBR. For both nozzle and internal insulation materials, the charring process occurs when the hot combustion products heat the material intensely. The pyrolysis of the matrix material takes away a portion of the thermal energy near the wall surface and leaves behind a char layer. The fiber reinforcement retains the porous char layer which provides continued thermal protection from the hot combustion products. It is of great interest to characterize both the total erosion rates of the material and the char layer thickness. By better understanding of the erosion process for a particular ablative material in a specific flow environment, the required insulation material thickness can be properly selected. The recession rates of internal insulation and nozzle materials of SRMs are typically determined by testing in some sort of simulated environment; either arc-jet testing, flame torch testing, or subscale SRMs of different size. Material recession rates are deduced by comparison of pre- and post-test measurements and then averaging over the duration of the test. However, these averaging techniques cannot be used to determine the instantaneous recession rates of the material. Knowledge of the variation in recession rates in response to the instantaneous flow conditions during the motor operation is of great importance. For example, in many SRM configurations the recession of the solid propellant grain can drastically alter the flow-field and effect the recession of internal insulation and nozzle materials. Simultaneous measurement of the overall erosion rate, the development of the char layer, and the recession of the char-virgin interface during the motor operation can be rather difficult. While invasive techniques have been used with limited success, they have serious drawbacks. Break wires or make wire sensors can be installed into a sufficient number of locations in the charring material from which a time history of the charring surface can be deduced. These sensors fundamentally alter the local structure of the material in which they are imbedded. Also, the location of these sensors within the material is not known precisely without the use of an X-ray. To determine instantaneous recession rates, real-time X-ray radiography (X-ray RTR) has been utilized in several SRM experiments at PSU. The X-ray RTR system discussed in this paper consists of an X-ray source, X-ray image intensifier, and CCD camera connected to a capture computer. The system has been used to examine the ablation process of internal insulation as well as nozzle material erosion in a subscale SRM. The X-ray source is rated to 320 kV at 10 mA and has both a large (5.5 mm) and small (3.0 mm) focal spot. The lead-lined cesium iodide X-ray image intensifier produces an image which is captured by a CCD camera with a 1,000 x 1,000 pixel resolution. To produce accurate imagery of the object of interest, the alignment of the X-ray source to the X-ray image intensifier is crucial. The image sequences captured during the operation of an SRM are then processed to enhance the quality of the images. This procedure allows for computer software to extract data on the total erosion rate and the char layer thickness. Figure 1 Error! Reference source not found.shows a sequence of images captured during the operation the subscale SRM with the X-ray RTR system. The X-rayTR system, alignment procedure, uncertainty determination, and image analysis process will be discussed in detail in the full manuscript.

Cortopassi, A. C.↗

Multiscale Cryo Electron Microscopy Reveals Interfacial Degradation and Stabilization in Battery Electrodes

Electrochemical interfaces are dynamic systems, evolving based on their local environment and reactant surface structures. The electrode-electrolyte interface in Li-ion batteries can be protective, limiting parasitic reactions with the electrolyte to passivate the surface [1]. Additionally, this interphase has an impact on the Li-ion transport through that layer based on its composition, bonding environment, and thickness. These parameters are challenging to collect and may vary depending on the electrode surface site investigated relative to its spatial position in a coin cell. This study will detail a multiscale cryogenic electron microscopy approach where millimeter-scale cross-sections through the coin cell batteries were made using a cryogenic stage within a fs-laser plasma focused ion beam (laser PFIB) with complementary energy dispersive X-ray spectroscopy able to detect variations in the composition at electrode interfaces [2]. Microscale cross-sectioning and lamella sample preparation of battery electrodes was conducted at the Center for Integrated Nanotechnologies using a Ga-ion focused ion beam (FIB) with air-free and cryo-transfer [3], followed by nanoscale mapping of composition and bonding within the CEI through cryo-scanning transmission electron microscopy (cryo-STEM) electron energy loss spectroscopy [4]. This multiscale approach enabled identification of millimeter-scale features of a battery stack with visualization of degradation in electrodes such as cracks in cathode particles, gas evolution, and SEI evolution; microscale interfacial characteristics, such as heterogeneity in the SEI or barrier layer and identification of electrolyte networks to the electrode surfaces; and nanoscale measurement of the CEI thickness, mapping of transition metal bonding within the cathode particles to identify loss of active materials, and identification of beneficial electrolyte additives incorporated into the CEI structure. This multiscale approach allows for a statistical understanding of the primary mechanisms and parasitic degradation pathways that impact performance by limiting the ion transport pathways within Li+ batteries.

36 MATERIALS SCIENCE↗

A thermally modified polymer matrix composite material with structural integrity to 371 C

The potential for utilizing surface coatings to inhibit the thermal oxidation of polymer matrix composites was studied. Isothermal, inert gas exposures of graphite/PMR-15 composites indicated that after an initial loss of weight, no significant amounts of thermal degradation products are given off during high temperature exposures in the absence of oxygen. As long as a coating remains effective, the composite material should remain stable. It was also found that the glass transition temperature T sub g of the matrix resin could be increased to values in excess of 400 C. This resulted in measured short beam shear strengths of 75.9 MPa (11 Ksi), flexural strengths of 1172 MPa (170 Ksi) and flexural moduli of 141 GPa (20.5 Msi) for the material at a test temperature of 371 C. The treatment that was used caused a decrease in the PMR-15 resin density from 1.31 to 1.29 gm/cc. It was concluded that state-of-the-art composites, protected by oxygen-impervious coatings, can be used as materials of construction with structural integrity to at least 371 C and possibly above.

Bowles, Kenneth J.↗

A thermally modified polymer matrix composite material with structural integrity to 371 C

The potential for utilizing surface coatings to inhibit the thermal oxidation of polymer matrix composites was studied. Isothermal, inert gas exposures of graphite/PMR-15 composites indicated that after an initial loss of weight, no significant amounts of thermal degradation products are given off during high temperature exposures in the absence of oxygen. As long as a coating remains effective, the composite material should remain stable. It was also found that the glass transition temperature T sub g of the matrix resin could be increased to values in excess of 400 C. This resulted in measured short beam shear strengths of 75.9 MPa (11 Ksi), flexural strengths of 1172 MPa (170 Ksi) and flexural moduli of 141 GPa (20.5 Msi) for the material at a test temperature of 371 C. The treatment that was used caused a decrease in the PMR-15 resin density from 1.31 to 1.29 gm/cc. It was concluded that state-of-the-art composites, protected by oxygen-impervious coatings, can be used as materials of construction with structural integrity to at least 371 C and possibly above.

Bowles, Kenneth J.↗

The Disruptive Technology That is Additive Construction: System Development Lessons Learned for Terrestrial and Planetary Applications

Disruptive technologies are unique in that they spawn other new technologies and applications as they grow. These activities are usually preceded by the question, "What If?" For example, "What if we could use an emerging technology and in-situ materials to promote exploration on the Moon or Mars, and then use that same technology to keep our troops out of harm's way and/or help the worlds' homeless?" This question allows us to flip the mindset of "how can people create more valuable innovation?" to "how can innovation create more valuable people?." This approach allows us to view augmented human labor as an inclusive opportunity, not a threat. The discipline of Additive Construction is growing rapidly due to the flexibility, speed, safety and logistics benefits offered as compared to standard construction techniques. Additive construction is a disruptive technology in that it employs the principles of additive manufacturing on a human habitat structure scale. Developed initially for emergency management and disaster relief applications, additive construction has now grown into military infrastructure and planetary (Moon and Mars) surface infrastructure applications as well. Additive Construction with Mobile Emplacement (ACME) is a NASA technology development project that seeks to demonstrate the feasibility of constructing shelters for human crews, and other surface infrastructure, on the Moon or Mars for a future human presence. The ACME project will allow, for the first time, the 3-dimensional printing of surface structures on planetary bodies using local materials for construction, thereby tremendously reducing launch and transportation mass and logistics. Some examples of infrastructure that could be constructed using robotic additive construction methods are landing pads, rocket engine blast protection berms, roads, dust free zones, equipment shelters, habitats and radiation shelters. Terrestrial applications include the development of surface structures using Earth-based materials for emergency response, disaster relief, general construction, and housing at all economic levels. This paper will describe the progress made by the NASA ACME project with a focus on prototypes and full scale additive construction demonstrations using both Portland cement concrete and other indigenous material mixtures. Rationale for the use of additive construction for both terrestrial and planetary applications will be explored and a thorough state-of-the-art of additive construction techniques will be presented. An evolutionary history of NASA's additive construction development efforts, dating back to 2004, will be included. The paper will then step through a series of trade studies performed to inform key processing and design decisions in the development of the full-scale ACES-3 system developed by NASA and the Jacobs Space Exploration Group for the U.S. Army Corps of Engineers (USACE) Construction Engineers Research Laboratory (CERL) in Champaign, IL. The selection of aggregate and binders, based on in-situ materials, will also be presented and discussed

Space Processing↗

Crystalline-symmetry-protected Majorana modes in coupled quantum dots

We propose a minimalist architecture for achieving various crystalline-symmetry-protected Majorana modes in an array of coupled quantum dots. Our framework is motivated by the recent experimental demonstrations of two-site and three-site artificial Kitaev chains in a similar setup. We find that introducing a π-phase domain wall in the Kitaev chain leads to a pair of mirror-protected Majorana zero modes located at or near the junction. Joining two π junctions into a closed loop, we can simulate two distinct classes of two-dimensional higher-order topological superconducting phases, both carrying symmetry-protected Majorana modes around the sample corners. As an extension of the π junction, we further consider a general vertex structure where n Kitaev chains meet, i.e., a Kitaev n vertex. We prove that such an n vertex, if respecting a dihedral symmetry group D n , necessarily carries n vertex-bound Majorana modes protected by the D n symmetry. Resilience of the junction and vertex Majorana bound states against disorder and correlation effects is also discussed. Our architecture paves the way for designing, constructing, and exploring a wide variety of artificial topological crystalline phases in quantum-dot experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Protective, Abrasion-Resistant Coatings With Tailorable Properties

Because of their light weight and impact resistance, transparent plastic structures are becoming increasingly desirable for use not only on aircraft but also in terrestrial applications such as automotive windshields and ophthalmic lenses. However, plastics are typically soft and scratch readily, reducing their transparency with use. At the NASA Lewis Research Center, reactively deposited aluminum oxide coatings as thin as 12,000 angstroms have been demonstrated to provide improved resistance to most scratches encountered during normal use. The properties of the coating can be adjusted to tailor the surface to meet other needs, such as water shedding. These adjustments can be made during the deposition process so that multiple manufacturing steps are eliminated.

Source record↗

3D printable polymeric lightning strike protection system for fiber reinforced composites

The current embodiments include all-polymeric protective material for mitigating lightning strike damage. The protective material includes a hybrid matrix comprising PANI and MXene dispersed within a thermosetting epoxy resin. This hybrid matrix can be painted, printed, or applied as a conductive polymeric layer to a FRCP structure, for example an aircraft fuselage, wing, empennage, control surface (aileron, flap, slats, rudder, elevator) or a wind turbine blade. The protective material not only withstands lightning strikes, but also functions as shielding against electromagnetic interference and is corrosion-resistant and lightweight.

Kumar, Vipin↗

Structure-based group A streptococcal vaccine design: Helical wheel homology predicts antibody cross-reactivity among streptococcal M protein–derived peptides

Group A streptococcus (Strep A) surface M protein, an α-helical coiled-coil dimer, is a vaccine target and a major determinant of streptococcal virulence. The sequence-variable N-terminal region of the M protein defines the M type and also contains epitopes that promote opsonophagocytic killing of streptococci. Recent reports have reported considerable cross-reactivity among different M types, suggesting the prospect of identifying cross-protective epitopes that would constitute a broadly protective multivalent vaccine against Strep A isolates. In this work, we have used a combination of immunological assays, structural biology, and cheminformatics to construct a recombinant M protein–based vaccine that included six Strep A M peptides that were predicted to elicit antisera that would cross-react with an additional 15 nonvaccine M types of Strep A. Rabbit antisera against this recombinant vaccine cross-reacted with 10 of the 15 nonvaccine M peptides. Two of the five nonvaccine M peptides that did not cross-react shared high sequence identity (≥50%) with the vaccine peptides, implying that high sequence identity alone was insufficient for cross-reactivity among the M peptides. Additional structural analyses revealed that the sequence identity at corresponding polar helical-wheel heptad sites between vaccine and nonvaccine peptides accurately distinguishes cross-reactive from non–cross-reactive peptides. On the basis of these observations, we developed a scoring algorithm based on the sequence identity at polar heptad sites. When applied to all epidemiologically important M types, this algorithm should enable the selection of a minimal number of M peptide–based vaccine candidates that elicit broadly protective immunity against Strep A.

60 APPLIED LIFE SCIENCES↗

Issues in deep space radiation protection

The exposures in deep space are largely from the Galactic Cosmic Rays (GCR) for which there is as yet little biological experience. Mounting evidence indicates that conventional linear energy transfer (LET) defined protection quantities (quality factors) may not be appropriate for GCR ions. The available biological data indicates that aluminum alloy structures may generate inherently unhealthy internal spacecraft environments in the thickness range for space applications. Methods for optimization of spacecraft shielding and the associated role of materials selection are discussed. One material which may prove to be an important radiation protection material is hydrogenated carbon nanofibers. c 2001. Elsevier Science Ltd. All rights reserved.

short duration↗