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All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Second-Generation Six-Limbed Experimental Robot

The figure shows the LEMUR II - the second generation of the Limbed Excursion Mechanical Utility Robot (LEMUR), which was described in "Six-Legged Experimental Robot" (NPO-20897), NASA Tech Briefs, Vol. 25, No. 12 (December 2001), page 58. The LEMUR II incorporates a number of improvements, including new features, that extend its capabilities beyond those of its predecessor, which is now denoted the LEMUR I. To recapitulate: the LEMUR I was a six-limbed robot for demonstrating robotic capabilities for assembly, maintenance, and inspection. The LEMUR I was designed to be capable of walking autonomously along a truss structure toward a mechanical assembly at a prescribed location and to perform other operations. The LEMUR I was equipped with stereoscopic video cameras and image-data-processing circuitry for navigation and mechanical operations. It was also equipped with a wireless modem, through which it could be commanded remotely. Upon arrival at a mechanical assembly, the LEMUR I would perform simple mechanical operations with one or both of its front limbs. It could also transmit images to a host computer. Each of the six limbs of the LEMUR I was operated independently. Each of the four rear limbs had three degrees of freedom (DOFs), while each of the front two limbs had four DOFs. The front two limbs were designed to hold, operate, and/or be integrated with tools. The LEMUR I included an onboard computer equipped with an assortment of digital control circuits, digital input/output circuits, analog-to-digital converters for input, and digital-to-analog (D/A) converters for output. Feedback from optical encoders in the limb actuators was utilized for closed-loop microcomputer control of the positions and velocities of the actuators. The LEMUR II incorporates the following improvements over the LEMUR I: a) The drive trains for the joints of the LEMUR II are more sophisticated, providing greater torque and accuracy. b) The six limbs are arranged symmetrically about a hexagonal body platform instead of in straight lines along the sides. This symmetrical arrangement is more conducive to omnidirectional movement in a plane. c) The number of degrees of freedom of each of the rear four limbs has been increased by one. Now, every limb has four degrees of freedom: three at the hip (or shoulder, depending on one s perspective) and one at the knee (or elbow, depending on one s perspective). d) Now every limb (instead of only the two front limbs) can perform operations. For this purpose, each limb is tipped with an improved quick-release mechanism for swapping of end-effector tools. e) New end-effector tools have been developed. These include an instrumented rotary driver that accepts all tool bits that have 0.125-in. (3.175-mm)-diameter shanks, a charge-coupled-device video camera, a super bright light-emitting diode for illuminating the work area of the robot, and a generic collet tool that can be quickly and inexpensively modified to accept any cylindrical object up to 0.5 in. (12.7 mm) in diameter. f) The stereoscopic cameras are mounted on a carriage that moves along a circular track, thereby providing for omnidirectional machine vision. g) The control software has been augmented with software that implements innovations reported in two prior NASA Tech Briefs articles: the HIPS algorithm ["Hybrid Image-Plane/Stereo Manipulation" (NPO-30492), Vol. 28, No. 7 (July 2004), page 55] and the CAMPOUT architecture ["An Architecture for Controlling Multiple Robots" (NPO-30345), Vol. 28, No. 10 (October 2004), page 65].

Kennedy, Brett↗
DOE OSTI2021

Hybrid machine learning/physics-based approach for predicting oxide glass-forming ability

Predicting the liquid compositions that will vitrify at experimentally accessible quench rates remains one of the grand challenges in the field of condensed matter physics. This glass-forming ability can be quantified as the critical quench rate needed to suppress crystallization. Knowledge of this critical quench rate also informs which glass composition could be used for new applications. There have been several physical and empirical models presented in the literature to predict the critical quench rate/glass forming ability. These models range from those theoretically derived to those quantified only through experimental characterization. In this work, we instead propose a new method to calculate the critical quench rate using the recently developed toy landscape model combined with machine learning. The toy landscape model accesses the underlying physics that control the vitrification behavior by directly simulating the liquid thermodynamics and kinetics. In conclusion, the results are discussed in terms of industrial impact, physical insights, and how the glass science community can develop improved predictions of glass-forming ability.

Crystallization↗
DOE OSTI2022

Multi-process tooling for discontinuous carbon and hybrid glass fiber thermoplastics

Expensive tooling often constraints the use of composites in the design and development of automotive parts. While there is significant confidence and knowledge in sheet and bulk metals, composite processes are less understood in mass production environment. The processes used to produce composites and resulting properties are influenced by fiber length attrition, resin to fiber ratio, process waste etc. Tool designs are determined very early in the engineering process. It is cost prohibitive to build additional tools, in the event it becomes obvious a better processing method and material would be beneficial, the original decision is not easily changed. In the present work we recognize the bottleneck of tooling costs and provide an approach of multi-process tooling. The innovation of this work is the design and demonstration of a single tool for different processes namely injection, injection-compression and extrusion-compression. The materials used in this study were long and short fiber thermoplastics (LFTs and SFTs). The resulting structure-property relationships have been reported for the materials and processing methods with a battery tray (BT) tool.

Vaidya, Uday↗
NASA NTRS1999

The Analysis and Design of Low Boom Configurations Using CFD and Numerical Optimization Techniques

The use of computational fluid dynamics (CFD) for the analysis of sonic booms generated by aircraft has been shown to increase the accuracy and reliability of predictions. CFD takes into account important three-dimensional and nonlinear effects that are generally neglected by modified linear theory (MLT) methods. Up to the present time, CFD methods have been primarily used for analysis or prediction. Some investigators have used CFD to impact the design of low boom configurations using trial and error methods. One investigator developed a hybrid design method using a combination of Modified Linear Theory (e.g. F-functions) and CFD to provide equivalent area due to lift driven by a numerical optimizer to redesign or modify an existing configuration to achieve a shaped sonic boom signature. A three-dimensional design methodology has not yet been developed that completely uses nonlinear methods or CFD. Constrained numerical optimization techniques have existed for some time. Many of these methods use gradients to search for the minimum of a specified objective function subject to a variety of design variable bounds, linear and nonlinear constraints. Gradient based design optimization methods require the determination of the objective function gradients with respect to each of the design variables. These optimization methods are efficient and work well if the gradients can be obtained analytically. If analytical gradients are not available, the objective gradients or derivatives with respect to the design variables must be obtained numerically. To obtain numerical gradients, say, for 10 design variables, might require anywhere from 10 to 20 objective function evaluations. Typically, 5-10 global iterations of the optimizer are required to minimize the objective function. In terms of using CFD as a design optimization tool, the numerical evaluation of gradients can require anywhere from 100 to 200 CFD computations per design for only 10 design variables. If one CFD computation requires an hour of computational time on a Cray computer, one can see that the use of constrained numerical optimization quickly becomes impractical.Hence, in order to practically couple a numerical design optimization technique with a CFD method, the CFD method must be extremely efficient with running times on the order of only minutes. The CFD Euler code developed under NASA sponsorship and referred to as MIM3D-SB for the most part fulfills these efficiency requirements. Analysis of wing- body configurations can be computed in a matter of a few minutes. The present study will concentrate on the feasibility of the use of this CFD code in conjunction with a numerical design optimization technique for the sonic boom reduction of candidate HSCT configurations. A preliminary supersonic aircraft design system has been established that utilizes the numerical design optimization code NPSOL developed at Stanford University coupled with the supersonic NUM3D-SB CFD code. Many questions still need to be answered in regard to using CFD and numerical optimizers as design tools. There are difficulties related to both the CFD codes and the numerical optimizers. Numerical optimizers can converge to a local minima rather than a global minima. This behavior is largely a function of the initial guess in the design space. The optimizer also is searching for a minimum of the function in terms of its derivative without any regard to the actual function value. Numerically (i.e. CFD) determined gradients can also generate spurious numerical local minima. In addition, for the sonic boom problem, grid fineness will also determine the accuracy of the final design solution. Design optimization methods work well on problems defined by continuous objective functions. The sonic boom signature design problem is not necessarily defined by a continuous objective function. The signature can have a variety of shapes; i.e. from N-wave to multiple shocks. The far-field or ground signature may not transition continuously from one shape to another and hence, may exhibit discontinuous behavior. This is also a source of difficulty in using design optimization methods.In the following sections, several low boom and one reference aircraft configuration will be analyzed to predict their sonic boom signature characteristics. Modifications to some of these designs will also be presented to demonstrate the feasibility of using CFD as a design tool and to demonstrate the feasibility of designing shaped sonic boom signatures. Design modifications to some configurations will be presented to demonstrate the feasibility of achieving shaped signatures with reduced levels and not necessarily to represent realistic or aerodynamically efficient design modifications. Fuselage volume or camber are used as design variables in order to have a minimal effect on the primary wing aerodynamics. The paper will also seek to demonstrate whether a hybrid or ramped signature is feasible to achieve. For the low-boom configurations, the CFD predicted signatures will be compared qualitatively to their MLT design signatures.

Siclari, Michael J.↗
DOE OSTI2022

Tolerance Factor for Stabilizing 3D Hybrid Halide Perovskitoids Using Linear Diammonium Cations

Three-dimensional (3D) halide perovskites have attracted enormous research interest, but the choice of the A-site cations is limited by the Goldschmidt tolerance factor. In order to accommodate cations that lie outside the acceptable range of the tolerance factor, low-dimensional structures usually form. To maintain the favorable 3D connection, the links among the metal-halide octahedra need to be rearranged to fit the large cations. This can result in a departure from the proper corner-sharing perovskite architectures and lead to distinctly different perovskitoid motifs with edge- and face-sharing. In this work, we report four new 3D bromide perovskitoids incorporating linear organic diammonium cations, A'Pb 2 Br 6 (A' is a +2 cation). We propose a rule that can guide the further expansion of this class of compounds, analogous to the notion of Goldschmidt tolerance factor widely adopted for 3D AMX 3 perovskites. The fundamental building blocks in A'Pb 2 Br 6 consist of two edge-shared octahedra, which are then connected by corner-sharing to form a 3D network. Different compounds adopt different structural motifs, which can be transformed from one to another by symmetry operations. Electronic structure calculations suggest that they are direct bandgap semiconductors, with relatively large band dispersions created by octahedra connected by corner-sharing. They exhibit similar electronic band structures and dynamic lattice characteristics to the regular 3D AMX 3 perovskites. Structures with smaller Pb–Br–Pb angles and larger octahedra distortion exhibit broad photoluminescence at room temperature. Furthermore, the emerging structure–property relationships in these 3D perovskitoids set the foundation for designing and investigating these compounds for a variety of optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Interfacial Electromechanics Predicts Phase Behavior of 2D Hybrid Halide Perovskites

Quasi-two-dimensional (2D) mixed-cation hybrid halide perovskites (A' 2 A N–1 M N X 3N+1 ; A' = large organic molecule with cationic group, A = [Cs + , CH 3 NH 3 + , HC(NH 2 ) 2 + ], M = [Pb, Sn, Ge], X = [I – , Br – , Cl – ]) have rapidly emerged as candidates to improve the structural stability and device lifetime of 3D perovskite semiconductor devices under operating conditions. The addition of the large A' cation to the traditional AMX 3 structure introduces several synthetic degrees of freedom and breaks M–X bonds, giving rise to peculiar critical phase behavior in the phase space of these complex materials. In this work, we propose a thermodynamic model parametrized by first-principles calculations to generate the phase diagram of 2D and quasi-2D perovskites (q-2DPKs) based on the mechanics and electrostatics of the interface between the A' cations and the metal halide octahedral network. Focusing on the most commonly studied methylammonium lead iodide system where A' is n-butylammonium (BA; CH 3 (CH 2 ) 3 NH 3 + ), we find that the apparent difficulty in synthesizing phase-pure samples with a stoichiometric index N > 5 can be attributed to the energetic competition between repulsion of opposing interfacial dipole layers and mechanical relaxation induced by interfacial stress. Our model shows quantitative agreement with experimental observations of the maximum phase-pure stoichiometric index (N crit ) and explains the nonmonotonic evolution of the lattice parameters with increasing stoichiometric index (N). This model is generalizable to the entire family of q-2DPKs and can guide the design of photovoltaic and optical materials that combine the structural stability of the q-2DPKs while retaining the charge carrier properties of their 3D counterparts.

14 SOLAR ENERGY↗
DOE OSTI2023

The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6

Abstract A member of the RMn 6 Sn 6 rare-earth family materials, TbMn 6 Sn 6 , recently showed experimental signatures of the realization of a quantum-limit Chern magnet. In this work, we use quantum Monte Carlo (QMC) and density functional theory with Hubbard U (DFT + U ) calculations to examine the electronic structure of TbMn 6 Sn 6 . To do so, we optimize accurate, correlation-consistent pseudopotentials for Tb and Sn using coupled-cluster and configuration–interaction (CI) methods. We find that DFT + U and single-reference QMC calculations suffer from the same overestimation of the magnetic moments as meta-GGA and hybrid density functional approximations. Our findings point to the need for improved orbitals/wavefunctions for this class of materials, such as natural orbitals from CI, or for the inclusion of multi-reference effects that capture the static correlations for an accurate prediction of magnetic properties. DFT + U with Mn magnetic moments adjusted to the experiment predict the Dirac crossing in bulk to be close to the Fermi level, within ~120 meV, in agreement with the experiments. Our non-stoichiometric slab calculations show that the Dirac crossing approaches even closer to the Fermi level, suggesting the possible realization of Chern magnetism in this limit.

36 MATERIALS SCIENCE↗
DOE OSTI2022

2022 LLNL Nuclear Science and Security Summer Internship Program

The Lawrence Livermore National Laboratory (LLNL) Nuclear Science and Security Summer Internship Program (NS 3 IP) is designed to give graduate and undergraduate students an opportunity to come to LLNL for 8–10 weeks of hands-on research. Students conduct research under the supervision of a staff scientist, attend a weekly lecture series, interact with other students, and present their work to the LLNL scientific community at the end of the program. Students also have the opportunity to meet staff scientists one-on-one, participate in LLNL facility tours (e.g., the National Ignition Facility and Center for Accelerator Mass Spectrometry), and gain a better understanding of the various science programs at LLNL. Due to the travel and access restrictions imposed by the COVID-19 pandemic, the 2022 NS 3 IP was organized as a hybrid internship program. Five of the 20 NS 3 IP students participated remotely. One of the 8 students funded directly by DTRA participated remotely. With LLNL’s extensive institutional support, remote students accessed the laboratory’s cyberinfrastructure through a secure virtual desktop environment and all seminars, mentor interactions, summer presentations, and laboratory tours had a remote option. The hybrid approach to the internship program provided flexibility to both the interns and their mentors to construct creative research projects that maximized student exposure to nuclear science research that is relevant to DTRA and LLNL. We anticipate continuing a hybrid internship format in the summer of 2023.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Investigation of the Effect of Framework Flexibility on Adsorption in SIFSIX-3-Cu using a Machine-Learned Force Field

Metal-organic frameworks (MOFs) are a promising class of adsorbents. The performance of MOF sorbents relies on high selectivity and low regeneration energy. This work focuses on the use of machine learned force fields (MLFFs) to model adsorption in a flexible MOF, SIFSIX-3-Cu. A DeePMD-based MLFF was trained to reproduce DFT (PBE+D3) energies, forces, and stresses, using an iterative sampling scheme combining sampling based on molecular dynamics, Monte Carlo, and geometry optimization to capture both attractive and repulsive regions of the potential energy surface. Flexibility of the MOF was explicitly included in this model. Hybrid Monte Carlo/molecular dynamics (MC/MD) simulations using the MLFF predicted adsorption isotherms in good agreement with experimental data for a range of pressures (40 Pa – 104 Pa) in contrast to rigid models, which overpredict CO2 adsorption at low pressures. The improvement was the result of a description of the variability of fluorine-fluorine diagonal distances at adsorption sites. This detailed description of flexibility afforded by the MLFF resulted in more accurate predictions adsorption isotherms when compared to the experimentally measured values. These results underscore the importance of including framework flexibility when modeling adsorption phenomena in MOFs, particularly for low pressure applications and provide a robust procedure for training MLFF models for MOFs.

Atomistic Simulation↗
DOE OSTI2020

HYBRID MANUFACTURING TECHNIQUE USING LARGE-SCALE ADDITIVE MANUFACTURING AND COMPRESSION MOLDING FOR HIGH PERFORMANCE COMPOSITES

Additive Manufacturing (AM) or 3-D printing has moved from small-scale prototypes to large-scale functional structures. With the introduction of large-scale 3D printers into the market a new industry has been born. For the first time, we are presenting the idea of preparing large-scale 3-D printed β-stage preforms to be used in traditional compression molding (CM) manufacturing technique to prepare final functional structures. Short carbon fiber (CF) reinforced material acrylonitrile butadiene Styrene i.e. ABS with 20% CF is used in present work. It is shown that highly aligned 3D printed short carbon fiber composite maintains its orientation after compression molding. A sandwich panel is prepared to show the capability to prepare complicated parts by integrating AM and CM. Interphase of the prepared dissimilar material is also studied using SEM. Samples prepared using AM-CM integration showed 11% and 79 % improvement in tensile strength and tensile modulus respectively compared to the traditional extrusion compression molding (ECM) process.

Kumar, Vipin↗
NASA NTRS1981

Lightning detection from Space Science and Applications Team review

The various needs for lightning data that exist among potential users of satellite lightning data were identified and systems were defined which utilize the optical and radio frequency radiations from lightning to serve as the satellite based lightning mapper. Three teams worked interactively with NASA to develop a system concept. An assessment of the results may be summarized as follows: (1) a small sensor system can be easily designed to operate on a geostationary satellite that can provide the bulk of the real time user requirements; (2) radio frequency systems in space may be feasible but would be much larger and more costly; RF technology for this problem lags the optical technology by years; and (3) a hybrid approach (optical in space and RF on the ground) would provide the most complete information but is probably unreasonably complex and costly at this time.

Few, A. A., Jr.↗
NASA NTRS2011

Multiple-Event, Single-Photon Counting Imaging Sensor

The single-photon counting imaging sensor is typically an array of silicon Geiger-mode avalanche photodiodes that are monolithically integrated with CMOS (complementary metal oxide semiconductor) readout, signal processing, and addressing circuits located in each pixel and the peripheral area of the chip. The major problem is its single-event method for photon count number registration. A single-event single-photon counting imaging array only allows registration of up to one photon count in each of its pixels during a frame time, i.e., the interval between two successive pixel reset operations. Since the frame time can t be too short, this will lead to very low dynamic range and make the sensor merely useful for very low flux environments. The second problem of the prior technique is a limited fill factor resulting from consumption of chip area by the monolithically integrated CMOS readout in pixels. The resulting low photon collection efficiency will substantially ruin any benefit gained from the very sensitive single-photon counting detection. The single-photon counting imaging sensor developed in this work has a novel multiple-event architecture, which allows each of its pixels to register as more than one million (or more) photon-counting events during a frame time. Because of a consequently boosted dynamic range, the imaging array of the invention is capable of performing single-photon counting under ultra-low light through high-flux environments. On the other hand, since the multiple-event architecture is implemented in a hybrid structure, back-illumination and close-to-unity fill factor can be realized, and maximized quantum efficiency can also be achieved in the detector array.

Zheng, Xinyu↗
NASA NTRSDate not supplied

Surface Transportation of the Common Habitat from Lander to Habitation Zone

The Common Habitat Architecture is a feasibility study surrounding the use of an SLS core stage liquid oxygen tank as the pressure vessel for a long-duration habitat intended for use in multiple gravity environments. The Common Habitat is used within this study as the primary habitation element in both Moon and Mars surface base camps. The Common Habitat Architecture offloads the Common Habitat from its lander and transports it to a Habitation Zone instead of leaving the habitat integrated with the lander. In this study, the Landing Zone is assumed to be approximately 3.5 kilometers from the Habitation Zone. Given the physical size and estimated 90-ton mass of the Common Habitat, a four-week trade study encompassing Moon and Mars lander identification, offloading, surface transport, and emplacement was conducted in February 2021 to assess whether there are any credible options for landing the Common Habitat on the Moon or Mars and deliver it to its intended point of use. Constrained to use only public data, the study applied subject matter expert opinion to each component of the study. The surface transportation component of the trade study assumes the habitat has been successfully offloaded from its lander and is at a point of handover to the surface transportation system. It is assumed that there are no crew present, and all human operations are performed remotely by Mission Control personnel. Three core cargo handling elements from prior NASA studies were used as the basis from which to derive surface transportation options – the Chariot, the All-Terrain Hex-Limbed Extra-Terrestrial Explorer, and the Lightweight Surface Manipulator System. Variations and hybrid combinations of these elements were used to develop transportation options for the Moon and Mars, given different habitat masses. Ultimately, several potentially feasible solutions were identified, and a solution was recommended that is common to both the Moon and Mars, with the potential to use a dissimilar system as a backup during lunar Common Habitat delivery. Next steps for sizing and additional development and analysis of the recommended surface transportation system are included as forward work.

Surface Mobility↗
NASA NTRSDate not supplied

Recommended DSMC Collision Model Parameters for Planetary Entry

Hybrid simulation frameworks combining Computational Fluid Dynamics (CFD) and Direct Simulation Monte Carlo (DSMC) are frequently employed to efficiently perform high-fidelity simulations of environments consisting of both continuum and rarified flow. DSMC is a stochastic, particle-based method which solves the fundamental Boltzmann equation and is therefore necessary for high-Knudsen flow where continuum-based assumptions governing CFD break down. However, the DSMC methodology is generally computationally inefficient to model the continuum regime. In a CFD/DSMC hybrid approach, obtaining an accurate, high-fidelity solution hinges on the consistent treatment of transport properties and the thermo-chemical models employed within the two solvers. In principle, in regions where CFD and DSMC are both employed, the same gas mixture under the same conditions should have the same properties, regardless of simulation type. Observed differences should be due to non-equilibrium processes, rather than differences in physical models. The goal of this work is to provide a comprehensive DSMC transport database encompassing the vast majority of known gas species encountered during Earth or other planetary atmospheric entry. This goal is largely possible due to recently performed ab initio quantum chemistry calculations. Combined with other high-fidelity data, the planned database will consist of collision integral data for over 200 neutral and ionized species and over 20000 binary collisions. From these collision integrals, Nelder-Mead optimization is used to compute collision-specific Variable Soft Sphere (VSS) collision model parameters, fitted from 300 K to 20000 K. Initial comparisons of transport properties of relevant equilibrium gas mixtures show great agreement between CFD and DSMC-derived results. The completed database can be readily applied to model binary collisions of any gas mixture containing the included species over the specified temperature range, making it a valuable tool for future planetary probe modeling efforts. An example is shown below in Fig. 1. Equilibrium mixture transport properties for a 35-species mixture composed originally of 10% air and 90% pyrolysis species of a carbon-phenolic ablator material [4] are computed using both fitted VSS Parameters and the original CFD collision integral values. Deviations in computed properties between the two approaches are less than 5% for the entire temperature range.

M. R. Gosma↗
NASA NTRS2014

A Novel Hybrid Ultramicrotomy/FIB-SEM Technique: Preparation of Serial Electron-Transparent Thin Sections of a Hayabusa Grain

The Japanese space agency's (JAXA) Hayabusa mission returned the first particulate samples (typically <100micron) from the surface of an asteroid (25143 Itokawa). These precious samples provide important insights into early Solar System processes, but their sizes pose tremendous challenges to coordinated analysis using a variety of nano- and micro-beam techniques. The ability to glean maximal information from individual particles has become increasingly important and depends critically on sample preparation. We developed a hybrid technique combining traditional ultramicrotomy with focused ion beam (FIB) techniques, allowing for more thorough in situ investigations of grain surfaces and interiors. Using this method, we increase the number of FIB-prepared sections that can be recovered from a particle with dimensions on the order of tens of microns. These sections can be subsequently analyzed using a variety of analytical techniques. Particle RA-QD02-0211 is a approx. 40×40×20 micron particle from Itokawa containing olivine and Fe sulfides. It was embedded in low viscosity epoxy and partly sectioned to a depth of approx 10 micron; sections are placed on Cu grids with thin amorphous films for transmission electron microscope (TEM) analyses. With the sample surface partly exposed, the epoxy bullet is trimmed to a height of approx. 5mm to accommodate the allowable dimensions for FIB work (FEI Quanta 600 3D dual beam FIB-SEM). Using a diamond trim knife, the epoxy surrounding the grain is removed on 3 sides (to within a few microns of the grain); the depth of material removed extends well below the bottom of the particle. The sample is attached to an SEM pin mount, the epoxy coated with conductive paint, and the entire assembly coated with approx. 40nm of carbon to eliminate sample charging during FIB work. A protective carbon cap is placed according to the plan for the 15 FIB sections. The central 'spine' of the cap runs perpendicular to the front of the sample, and the 'ribs' protruding from either side run parallel. Each rib indicates the location of a planned FIB section, and the spine contains the final two planned sections. We use a cap with a 4 micron-wide spine and 2micron-wide ribs that have ≳3.5 micron of space between them (narrower cuts result in too much re-deposition of material inside the trenches). Using a 30kV, 3nA ion-beam we expose the front surface of the grain and commence milling trenches between sections. Rather than using the typical C-cut to prepare the sample for lift-out, an L-cut is used instead, leaving the sample connected by an interior tab. tab. Sections are lifted out, attached to TEM grids and thinned to electron transparency. TEM analyses show that our hybrid technique preserves both interior and edge features, including surface modifications from exposure to the space environment, such as damaged rims that form in response to solar wind implantation effects and adhering grains. In addition, the FIB sections provide larger areas that are free of fractures and chatter effects in comparison to the microtome thin sections, thus enabling more accurate measurements of solar flare particle track densities that are used to determine the surface exposure age of the particles.

Berger, Eve L.↗
NASA NTRS1999

Aerosols and Particulates Workshop Sampling Procedures and Venues Working Group Summary

The Sampling Procedures and Venues Workgroup discussed the potential venues available and issues associated with obtaining measurements. Some of the issues included Incoming Air Quality, Sampling Locations, Probes and Sample Systems. The following is a summary of the discussion of the issues and venues. The influence of inlet air to the measurement of exhaust species, especially trace chemical species, must be considered. Analysis procedures for current engine exhaust emissions regulatory measurements require adjustments for air inlet humidity. As a matter of course in scientific investigations, it is recommended that "background" measurements for any species, particulate or chemical, be performed during inlet air flow before initiation of combustion, if possible, and during the engine test period as feasible and practical. For current regulatory measurements, this would be equivalent to setting the "zero" level for conventional gas analyzers. As a minimum, it is recommended that measurements of the humidity and particulates in the incoming air be taken at the start and end of each test run. Additional measurement points taken during the run are desirable if they can be practically obtained. It was felt that the presence of trace gases in the incoming air is not a significant problem. However, investigators should consider the ambient levels and influences of local air pollution for species of interest. Desired measurement locations depend upon the investigation requirements. A complete investigation of phenomenology of particulate formation and growth requires measurements at a number of locations both within the engine and in the exhaust field downstream of the nozzle exit plane. Desirable locations for both extractive and in situ measurements include: (1) Combustion Zone (Multiple axial locations); (2) Combustor Exit (Multiple radial locations for annular combustors); (3) Turbine Stage (Inlet and exit of the stage); (4) Exit Nozzle (Multiple axial locations downstream of the nozzle). Actual locations with potential for extractive or non-intrusive measurements depend upon the test article and test configuration. Committee members expressed the importance of making investigators aware of various ports that could allow access to various stages of the existing engines. Port locations are engine si)ecific and might allow extractive sampling or innovative hybrid optical-probe access. The turbine stage region was one the most desirable locations for obtaining samples and might be accessed through boroscope ports available in some engine designs. Discussions of probes and sampling systems quickly identified issues dependent on particular measurement quantities. With general consensus, the group recommends SAE procedures for measurements and data analyses of currently regulated exhaust species (CO2, CO, THC, NO(x),) using conventional gas sampling techniques. Special procedures following sound scientific practices must be developed as required for species and/or measurement conditions not covered by SAE standards. Several issues arose concerning short lived radicals and highly reactive species. For conventional sampling, there are concerns of perturbing the sample during extraction, line losses, line-wall reactions, and chemical reactions during the sample transport to the analyzers. Sample lines coated with quartz.or other materials should be investigated for minimization of such effects. The group advocates the development of innovative probe techniques and non-intrusive optical techniques for measurement of short lived radicals and highly reactive species that cannot be sampled accurately otherwise. Two innovative probe concepts were discussed. One concept uses specially designed probes to transfer optical beams to and from a region of flow inaccessible by traditional ports or windows. The probe can perturb the flow field but must have a negligible impact on the region to be optically sampled. Such probes are referred to as hybrid probes and are under development at AEDC for measurement in the high pressure, high temperature of a combustor under development for power generation. The other concept consists of coupling an instrument directly to the probe. The probe would isolate a representative sample stream, freeze chemical reactions and direct the sample into the analyzer portion of the probe. Thus, the measurement would be performed in situ without sample line losses due either to reactions or binding at the wall surfaces. This concept was used to develop a fast, in situ, time-of-flight mass spectrometer measurement system for temporal quantification of NO in the IMPULSE facility at AEDC. Additional work is required in this area to determine the best probe and sampling technique for each species measurement requirement identified by the Trace Chemistry Working Group. A partial list of Venues was used as a baseline for discussion. Additional venues were added to the list and the list was broken out into the following categories: (1)Engines (a) Sea Level Test Stands (b) Altitude Chambers; (2) Annular Combustor Test Stands, (3) Sector Flametube Test Stands, (4) Fundamentals Rigs/Experiments.

Pachlhofer, Peter↗
DOE OSTI2021

Manipulating Surface Termination of Perovskite Manganate for Oxygen Activation

For ABO 3 perovskite oxides, one of the key issues limiting their utilization in heterogeneous catalysis is the dominant presence of catalytically inactive A-site cations at the surface. The engineering of B-site terminated perovskites is considered as an effective method to address this issue, especially when dealing with Mn/Co-based perovskite catalysts. However, to date, such a strategy has not been fully successful and remains a major challenge in the field. Herein, a Mn-terminated La 0.45 Sr 0.45 MnO 3 (B-LSM) is successfully synthesized via a one-pot hydrothermal method, in which low-valence Mn ions partially occupy the A site to form the active Mn-excess phase. Additionally, experimental results and theoretical calculations reveal that the presence of the surface Mn termination in B-LSM optimizes the hybrid orbitals of Mn 3d-O 2p and promotes the activation of surface lattice oxygen, where the pristine inert lattice O 2- is evolved into active and stable lattice O 2-x . Such structural optimization significantly reduces the activation energy barriers on going from O 2 ⁻ species to important intermediate O - species during O 2 activation. Moreover, this results in good stability and Pt-like activity for the B-LSM during CO oxidation. This work offers a new chemical route for the design of advanced perovskite-type oxides possessing novel functions.

36 MATERIALS SCIENCE↗