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At least 1,027 records · Page 57

Structure-activity relationship of Pt catalyst on engineered ceria-alumina support for CO oxidation

In heterogeneous catalysis, the promotion of low temperature activity and enhancement of thermal stability simultaneously especially for precious metal catalysts is always highly demanded but very challenging. In this work, we report a novel Pt catalyst on ceria-alumina (CeO 2 /Al 2 O 3 ) support (Pt/CA-T) engineered by a two-step ceria deposition strategy, exhibiting superior thermal stability and low-temperature carbon monoxide (CO) oxidation activity after activation. Pt single sites anchored to engineered CeO 2 edge sites are much more stable than that to CeO 2 (111) surface, and such stable single sites can be transformed into highly active Pt clusters for efficient low-temperature CO oxidation. Active site identification indicates that the CO oxidation activity of different Pt sites follows such sequence: Pt cluster step sites ≈ Pt cluster terrace sites > Pt cluster corner sites $\gg$ Pt single sites on CeO 2 . The excellent low temperature activity of activated Pt/CA-T catalyst for CO oxidation is associated with its abundant Pt cluster step and terrace sites as well as rich Pt-CeO 2 interfaces, which facilitate the adsorption of active CO species and superior oxygen activation/transfer ability. The present study provides new insights into the structure–activity relationship of Pt-CeO 2 -Al 2 O 3 catalyst, which can also guide the preparation of other highly robust supported catalysts for important industrial applications.

36 MATERIALS SCIENCE↗

The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

Koontz, Steve L.↗

Infinite possibilities: Computational structures technology

Computational Fluid Dynamics (or CFD) methods are very familiar to the research community. Even the general public has had some exposure to CFD images, primarily through the news media. However, very little attention has been paid to CST--Computational Structures Technology. Yet, no important design can be completed without it. During the first half of this century, researchers only dreamed of designing and building structures on a computer. Today their dreams have become practical realities as computational methods are used in all phases of design, fabrication and testing of engineering systems. Increasingly complex structures can now be built in even shorter periods of time. Over the past four decades, computer technology has been developing, and early finite element methods have grown from small in-house programs to numerous commercial software programs. When coupled with advanced computing systems, they help engineers make dramatic leaps in designing and testing concepts. The goals of CST include: predicting how a structure will behave under actual operating conditions; designing and complementing other experiments conducted on a structure; investigating microstructural damage or chaotic, unpredictable behavior; helping material developers in improving material systems; and being a useful tool in design systems optimization and sensitivity techniques. Applying CST to a structure problem requires five steps: (1) observe the specific problem; (2) develop a computational model for numerical simulation; (3) develop and assemble software and hardware for running the codes; (4) post-process and interpret the results; and (5) use the model to analyze and design the actual structure. Researchers in both industry and academia continue to make significant contributions to advance this technology with improvements in software, collaborative computing environments and supercomputing systems. As these environments and systems evolve, computational structures technology will evolve. By using CST in the design and operation of future structures systems, engineers will have a better understanding of how a system responds and lasts, more cost-effective methods of designing and testing models, and improved productivity. For informational and educational purposes, a videotape is being produced using both static and dynamic images from research institutions, software and hardware companies, private individuals, and historical photographs and drawings. The extensive number of CST resources indicates its widespread use. Applications run the gamut from simpler university-simulated problems to those requiring solutions on supercomputers. In some cases, an image or an animation will be mapped onto the actual structure to show the relevance of the computer model to the structure. Transferring the digital files to videotape presents a number of problems related to maintaining the quality of the original image, while still producing a broadcast quality videotape. Since researchers normally do not create a computer image using traditional composition theories or video production requirements, often the image loses some of its original digital quality and impact when transferred to videotape. Although many CST images are currently available, those that are edited into the final project must meet two important criteria: they must complement the narration, and they must be broadcast quality when recorded on videotape.

Beam, Sherilee F.↗

Overview of thermal barrier coatings in diesel engines

An understanding of delamination mechanisms in thermal barrier coatings has been developed for diesel engine applications through rig tests, structural analysis modeling, nondestructive evaluation, and engine evaluation of various thermal barrier coatings. This knowledge has resulted in improved thermal barrier coatings which survive abusive cyclic fatigue tests in high output diesel engines. Although much conflicting literature now exists regarding the impact of thermal barrier coatings on engine performance and fuel consumption, the changes in fuel consumption appear to be less than a few percent and can be negative for state-of-the-art diesel engines. The ability of the thermal barrier coating to improve fuel economy tends to be dependent on a number of factors including the fuel injection system, combustion chamber design, and the initial engine fuel economy. Limited investigations on state-of-the-art diesel engines have indicated that the surface connected porosity and coating surface roughness may influence engine fuel economy. Current research efforts on thermal barrier coatings are primarily directed at reducing in-cylinder heat rejection, thermal fatigue protection of underlying metal surfaces and a possible reduction in diesel engine emissions. Significant efforts are still required to improve the plasma spray processing capability and the economics for complex geometry diesel engine components.

Yonushonis, Thomas M.↗

Examination of the Capabilities of Metalorganic Vapor-Phase Epitaxy in Fabrication of Thin InAs/GaSb Layers

The capabilities of metalorganic vapor-phase epitaxy (MOVPE) in fabrication of structures with thin (1–2 nm) alternating InAs/GaSb layers on a GaSb substrate are studied. The characteristics of these structures were examined using transmission electron microscopy and methods of photo- and electroluminescence. It was found that two GaInAsSb solid solutions of different compositions were formed in the active regions of structures in the given growth conditions. The fabricated system was characterized by an emission wavelength of 4.96 μm at a temperature of 77 K. The results reveal new opportunities for bandgap engineering of semiconductor structures based on InAs/GaSb, which are designed for optoelectronic devices operating in the infrared range, provided by MOVPE.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis

An ancient enzyme family responsible for the catabolism of the prebiotic chemical cyanuric acid (1,3,5-triazine-2,4,6-triol) was recently discovered and is undergoing proliferation in the modern world due to industrial synthesis and dissemination of 1,3,5-triazine compounds. Cyanuric acid has a highly stabilized ring system such that bacteria require a unique enzyme with a novel fold and subtle active site construction to open the ring. Each cyanuric acid hydrolase monomer consists of three isostructural domains that coordinate and activate the three-fold symmetric substrate cyanuric acid for ring opening. We have now solved a series of X-ray structures of an engineered, thermostable cyanuric acid ring-opening enzyme at 1.51 ~ 2.25 Å resolution, including various complexes with the substrate, a tight-binding inhibitor, or an analog of the reaction intermediate. These structures reveal asymmetric interactions between the enzyme and bound ligands, a metal ion binding coupled to conformational changes and substrate binding important for enzyme stability, and distinct roles of the isostructural domains of the enzyme. The multiple conformations of the enzyme observed across a series of structures and corroborating biochemical data suggest importance of the structural dynamics in facilitating the substrate entry and the ring-opening reaction, catalyzed by a conserved Ser-Lys dyad.

59 BASIC BIOLOGICAL SCIENCES↗

Crystal structure of F95Q epi-isozizaene synthase, an engineered sesquiterpene cyclase that generates biofuel precursors β- and γ-curcumene

The saturated hydrocarbon bisabolane is a diesel fuel substitute that can be derived from sesquiterpene precursors bisabolene or curcumene. These sesquiterpenes are generated from farnesyl diphosphate in reactions catalyzed by eponymous terpenoid cyclases, but they can also be generated by engineered terpenoid cyclases in which cyclization cascades have been reprogrammed by mutagenesis. Here, we describe the X-ray crystal structure determination of F95Q epi-isozizaene synthase (EIZS), in which the new activity of curcumene biosynthesis has been introduced and the native activity of epi-isozizaene biosynthesis has been suppressed. F95Q EIZS generates β- and γ-curcumene regioisomers with greater than 50% yield. Structural analysis of the closed active site conformation, stabilized by the binding of 3 Mg 2+ ions, inorganic pyrophosphate, and the benzyltriethylammonium cation, reveals a product-like active site contour that serves as the cyclization template. Remolding the active site contour to resemble curcumene instead of epi-isozizaene is the principal determinant of the reprogrammed cyclization cascade. Intriguingly, an ordered water molecule comprises part of the active site contour. Additionally, this water molecule may also serve as a final proton acceptor, along with inorganic pyrophosphate, in the generation of curcumene regioisomers; it may also contribute to the formation of sesquiterpene alcohols identified as minor side products. Thus, the substitution of polar side chains for nonpolar side chains in terpenoid cyclase active sites can result in the stabilization of bound water molecules that, in turn, can serve template functions in isoprenoid cyclization reactions.

59 BASIC BIOLOGICAL SCIENCES↗

Mechanical Engineering Safety Note 1012910313-AA: CEA LTIC Structural Integrity

The LRU Target Insert Cryostat (LTIC) is the end effector of the NIF Cryogenic Target Positioner (CryoTarpos), which houses a cooling system to support cryogenic target experiments at NIF. The LTIC maintains a target at micron level positional stability and millikelvin level temperature stability during a NIF shot and is also subject to a portion of the blast load governed by the solid angle subtended by the blast shield at the front of the system. This MESN evaluates loading of the CEA LTIC, a redesigned LTIC to be fielded at Laser Megajoule (LMJ) in France, which has been designed to lay out requirements agreed upon between LLNL and CEA personnel. The LMJ version of CryoTarpos is referred to as the PCC. A high-level system overview of the LTIC on the PCC is shown.

42 ENGINEERING↗

A VLSI Processor Engine to Support Calculation of the Vector Wave Equation

The development of a VLSI processor engine tailored to support computation of the near-field vector wave equation (VWE) is presented. Calculation of the near field is essential for evaluation of the electromagnetic fields generated by a complex radiating structure. The processor engine presented is optimized such that it takes advantage of the extensive parallelism inherent in the computational algorithm. The utilization of very large scale integration (VLSI) circuit technology and a customized reduced instruction set computer (RISC) architecture support development of a system of these processor engines, each of which is capable of performing the VWE algorithm calculation. By taking maximum advantage of the parallelism present in the calculation and dividing the problem among an array of these processor engines, the calculation can be computed in a realistic time frame.

J W Degroat↗

Total-System Approach To Design And Analysis Of Structures

Paper presents overview and study of, and comprehensive approach to, multidisciplinary engineering design and analysis of structures. Emphasizes issues related to design of semistatic structures in environments in which spacecraft launched, underlying concepts applicable to other structures within unique terrestrial, marine, or flight environments. Purpose of study to understand interactions among traditionally separate engineering design disciplines with view toward optimizing not only structure but also overall design process.

Verderaime, V.↗

Independent Peer Review of Communications, Navigation, and Networking re-Configurable Testbed (CoNNeCT) Project Antenna Pointing Subsystem (APS) Integrated Gimbal Assembly (IGA) Structural Analysis

Glenn Research Center Chief Engineer's Office requested an independent review of the structural analysis and modeling of the Communications, Navigation, and Networking re-Configurable Testbed (CoNNeCT) Project Antenna Pointing Subsystem (APS) Integrated Gimbal Assembly (IGA) to be conducted by the NASA Engineering and Safety Center (NESC). At this time, the IGA had completed its critical design review (CDR). The assessment was to be a peer review of the NEi-NASTRAN1 model of the APS Antenna, and not a peer review of the design and the analysis that had been completed by the GRC team for CDR. Thus, only a limited amount of information was provided on the structural analysis. However, the NESC team had difficulty separating analysis concerns from modeling issues. The team studied the NASTRAN model, but did not fully investigate how the model was used by the CoNNeCT Project and how the Project was interpreting the results. The team's findings, observations, and NESC recommendations are contained in this report.

Raju, Ivatury S.↗

Finite-Element Analysis of Forced Convection and Conduction

TAP2 thermal-analysis program was developed as part of research on finite element methodology for thermal analysis of convectively cooled structures, such as scramjet engines and hypersonic aircraft. Program simplifies computations when both structural and thermal analyses are required and is suited for thermal analysis of nuclear reactors and solar-panel heating systems.

Wieting, A. R.↗

Orbiter Window Hypervelocity Impact Strength Evaluation

When the Space Shuttle Orbiter incurs damage on its windowpane during flight from particles traveling at hypervelocity speeds, it produces a distinctive damage that reduces the overall strength of the pane. This damage has the potential to increase the risk associated with a safe return to Earth. Engineers at Boeing and NASA/JSC are called to Mission Control to evaluate the damage and provide an assessment on the risk to the crew. Historically, damages like these were categorized as "accepted risk" associated with manned spaceflight, and as long as the glass was intact, engineers gave a "go ahead" for entry for the Orbiter. Since the Columbia accident, managers have given more scrutiny to these assessments, and this has caused the Orbiter window engineers to capitalize on new methods of assessments for these damages. This presentation will describe the original methodology that was used to asses the damages, and introduce a philosophy new to the Shuttle program for assessing structural damage, reliability/risk-based engineering. The presentation will also present a new, recently adopted method for assessing the damage and providing management with a reasonable assessment on the realities of the risk to the crew and vehicle for return.

Estes, Lynda R.↗

Failure Investigation of WB-57 Aircraft Engine Cowling

The NASA Johnson Space Center (JSC) in Houston, Texas is the home of the NASA WB-57 High Altitude Research Program. Three fully operational WB-57 aircraft are based near JSC at Ellington Field. The aircraft have been flying research missions since the early 1960's, and continue to be an asset to the scientific community with professional, reliable, customer-oriented service designed to meet all scientific objectives. The NASA WB-57 Program provides unique, high-altitude airborne platforms to US Government agencies, academic institutions, and commercial customers in order to support scientific research and advanced technology development and testing at locations around the world. Mission examples include atmospheric and earth science, ground mapping, cosmic dust collection, rocket launch support, and test bed operations for future airborne or spaceborne systems. During the return from a 6 hour flight, at 30,000 feet, in the clean configuration, traveling at 175 knots indicated airspeed, in un-accelerated flight with the auto pilot engaged, in calm air, the 2-man crew heard a mechanical bang and felt a slight shudder followed by a few seconds of high frequency vibration. The crew did not notice any other abnormalities leading up to, or for the remaining 1 hour of flight and made an uneventful landing. Upon taxi into the chocks, the recovery ground crew noticed the high frequency long wire antenna had become disconnected from the vertical stabilizer and was trailing over the left inboard wing, and that the left engine upper center removable cowling panel was missing, with noticeable damage to the left engine inboard cowling fixed structure. The missing cowling panel was never recovered. Each engine cowling panel is attached to the engine nacelle using six bushings made of 17-4 PH steel. The cylinder portions of four of the six bushings were found still attached to the aircraft (Fig 1). The other two bushings were lost with the panel. The other four bushings exhibited ratchet marks (multiple fatigue origins) which initiated in the sharp radius of the flange/cylinder fillet and were observed 300 degrees around the flange perimeter (Fig 2-3). Low stress, high cycle fatigue (HCF) was observed on the fracture surfaces of all four bushings (Fig 4). To improve the cowling panel joint design and enable return to flight, new cowling bushings with thicker flanges and a larger machined flange/cylinder fillet radius were installed on all cowling panels. In addition, a spacer was added to the joint to achieve the proper stack tolerance. Finally, a time change requirement for all cowling bushings was instituted.

Martinez, J. E.↗

Opportunities and Challenges for Machine Learning-Assisted Enzyme Engineering

Enzymes can be engineered at the level of their amino acid sequences to optimize key properties such as expression, stability, substrate range, and catalytic efficiency or even to unlock new catalytic activities not found in nature. Because the search space of possible proteins is vast, enzyme engineering usually involves discovering an enzyme starting point that has some level of the desired activity followed by directed evolution to improve its “fitness” for a desired application. Recently, machine learning (ML) has emerged as a powerful tool to complement this empirical process. ML models can contribute to (1) starting point discovery by functional annotation of known protein sequences or generating novel protein sequences with desired functions and (2) navigating protein fitness landscapes for fitness optimization by learning mappings between protein sequences and their associated fitness values. In this Outlook, we explain how ML complements enzyme engineering and discuss its future potential to unlock improved engineering outcomes.

60 APPLIED LIFE SCIENCES↗

Bird impact analysis package for turbine engine fan blades

A computer program has been developed to analyze the gross structural response of turbine engine fan blades subjected to bird strikes. The program couples a NASTRAN finite element model and modal analysis of a fan blade with a multi-mode bird impact analysis computer program. The impact analysis uses the NASTRAN blade model and a fluid jet model of the bird to interactively calculate blade loading during a bird strike event. The analysis package is computationaly efficient, easy to use and provides a comprehensive history of the gross structual blade response. Example cases are presented for a representative fan blade.

Hirschbein, M. S.↗

Preliminary design of a supersonic Short Takeoff and Vertical Landing (STOVL) fighter aircraft

The preliminary design study of a supersonic Short Takeoff and Vertical Landing (STOVL) fighter is presented. A brief historical survey of powered lift vehicles was presented, followed by a technology assessment of the latest supersonic STOVL engine cycles under consideration by industry and government in the U.S. and UK. A survey of operational fighter/attack aircraft and the modern battlefield scenario were completed to develop, respectively, the performance requirements and mission profiles for the study. Three configurations were initially investigated with the following engine cycles: a hybrid fan vectored thrust cycle, a lift+lift/cruise cycle, and a mixed flow vectored thrust cycle. The lift+lift/cruise aircraft configuration was selected for detailed design work which consisted of: (1) a material selection and structural layout, including engine removal considerations, (2) an aircraft systems layout, (3) a weapons integration model showing the internal weapons bay mechanism, (4) inlet and nozzle integration, (5) an aircraft suckdown prediction, (6) an aircraft stability and control analysis, including a takeoff, hover, and transition control analysis, (7) a performance and mission capability study, and (8) a life cycle cost analysis. A supersonic fighter aircraft with STOVL capability with the lift+lift/cruise engine cycle seems a viable option for the next generation fighter.

Cox, Brian↗