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At least 595 records · Page 33

The parameters of a VCM test for the selection of space materials

Materials for space applications must have low outgassing rates at normal operating temperatures and the outgassing products should include a minimum of condensables at the temperatures of nearby surfaces. A screening method, developed years ago, consists of holding a material sample at 398 K (125 C) for 24 hours and measuring its percentage total mass loss (TML) and the percentage volatile condensable mass (VCM) accreted on a 298 K (25 C) collector. In general, the material is acceptable if the TML is less than 1 percent and the VCM is less than 0.1 percent. This paper presents an analysis of the test and its results. It shows that the results of TML and VCM can be used to provide data on outgassing rates and to derive an 'equivalent activation energy' for the material. The energy variables are needed for the calculation of pressure in compartments, the molecular contamination of critical surfaces, and other problems in molecular flow and surface physics. The analysis points out the criticality of the test and its limits with regards to the detection of condensables from certain materials.

Scialdone, J. J.↗

An evaluation of the sandwich beam compression test method for composites

The sandwich beam in a four-point bending compressive test method for advanced composites is evaluated. Young's modulus and Poisson's ratio were obtained for graphite/polyimide beam specimens tested at 117 K, room temperature, and 589 K. Tensile elastic properties obtained from the specimens were assumed to be equal to the compressive elastic properties and were used in the analysis. Strain gages were used to record strain data. A three-dimensional finite-element model was used to examine the effects of the honeycomb core on measured composite mechanical properties. Results of the analysis led to the following conclusions: (1) a near uniaxial compressive stress state existed in the top cover and essentially all the compressive load was carried by the top cover; (2) laminate orientation, test temperature, and type of honeycomb core material were shown to affect the type of beam failure; and (3) the test method can be used to obtain compressive elastic constants over the temperature range 117 to 589 K.

Shuart, M. J.↗

Molecular Identification of Microbial Contaminants

Microorganisms can have significant impacts on the success of NASA’s missions, including the integrity of materials, the reliability of scientific results, and maintenance of crew health. Robust cleaning and sterilization protocols are currently in place in NASA facilities, but agency experts agree that microbial contamination is unavoidable and its impact on NASA’s missions and science must be minimized. Therefore, it is critical to understand: 1) what specific microorganisms are present, 2) how they may impact scientific objectives, and 3) how to select appropriate mitigation strategies. The Marshall Space Flight Center (MSFC) Planetary Protection (PP) microbiology lab historically relied solely upon enumeration of culturable microbial contamination associated with spacecraft materials or cleanrooms. However, this process is time consuming, many microbes cannot be cultured, and very few can be identified with any fidelity using NASA standard microbiological methods. The work described in this white paper includes the establishment of molecular identification capabilities at MSFC, including DNA isolation, amplification, purification, and Sanger sequencing. This capability will not only improve planetary protection efforts at MSFC (i.e. by identifying contaminating microorganisms in cleanrooms or on spacecraft) but also offers a service center-wide for the identification of contaminants that arise in other projects, processing locations, or during set up and roll out of spacecraft. This work also lays the foundation for higher throughput efforts to identify large populations of microbes across the lifetime of a project and serves as the starting point for future work into whole genome sequencing, non-culture based methods, or additional characterization studies. Ultimately, accurate identification informs appropriate mitigation strategies, increasing the chances of success for NASA’s missions and objectives.

C. D. Cassilly↗

The Hard Ferromagnetism in FePS 3 Induced by Non‐Magnetic Molecular Intercalation

Abstract Manipulating the magnetic ground states of 2D magnets is a focal point of recent research efforts. Various methods have demonstrated efficacy in modulating the magnetic properties inherent to van der Waals (vdW) magnetic systems. Herein, the emergence of robust anisotropic ferromagnetism within antiferromagnetic FePS 3 is unveiled via intercalation with non‐magnetic pyridinium ions. A one‐step ion exchange reaction facilitates the formation of energetically favorable B‐phase and metastable P‐phase. Notably, both B‐ and P‐phases manifest hard ferromagnetic behavior, featuring substantial unsaturated coercive fields (>7 T) and high Curie temperatures (72–87 K). First‐principles calculations elucidate the pivotal role of electron transfer from pyridinium ions to FePS 3 in engineering magnetic exchange interactions. Calculated effective spin Hamiltonian corroborates the observed hard ferromagnetism in intercalated FePS 3 . This study offers crucial insights into hard magnetism in intercalated vdW materials, thereby presenting promising avenues for 2D vdW magnet‐based magnetic devices.

Ou, Yunbo↗

Electrochemical Activation of Ni–Fe Oxides for the Oxygen Evolution Reaction in Alkaline Media

The oxygen evolution reaction (OER) is essential to many key electrochemical devices, including H 2 O electrolyzers, CO 2 electrolyzers, and metal−air batteries. NiFe oxides have been historically identified as active for the OER, though they have been less studied in their more commercially relevant bulk oxide forms, such as NiFe 2 O 4 . Past works have demonstrated that the initial starting phase of Ni(Fe) precatalysts can influence their activation to the Ni(Fe)OOH active phase, including the rate and degree of conversion, pointing to the necessity of understanding activation protocols and in situ characteristics of catalyst materials at the device level. In this work, we investigate the characteristics of commercially relevant NiFe bulk oxides (NiFe 2 O 4 and a physical mixture of NiO and γ-Fe 2 O 3 ) during multiple activation procedures. Our results demonstrate that significant performance enhancement is observed for these bulk oxides regardless of the Fe incorporation in the initial form (i.e., atomically or macroscopically integrated), leading to significant performance enhancement (up to 30×) over time on stream. We hypothesize that this activation is due to the formation of NiFeOOH active sites on the surface, supported by in situ cyclic voltammetry and Raman spectroscopy results. We further show that not only the starting material but also the method of activation influences the number of Ni(Fe)OOH active sites formed and suggest that these sites can be quantified from the Ni 2+ to Ni 3+ redox transition using cyclic voltammetry. Broadly, this work demonstrates the necessity of in situ characterization of catalyst materials for cell-level design and testing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermal and chemical convection in planetary mantles

Melting of the upper mantle and extraction of melt result in the formation of a less dense depleted mantle. This paper describes series of two-dimensional models that investigate the effects of chemical buoyancy induced by these density variations. A tracer particles method has been set up to follow as closely as possible the chemical state of the mantle and to model the chemical buoyant force at each grid point. Each series of models provides the evolution with time of magma production, crustal thickness, surface heat flux, and thermal and chemical state of the mantle. First, models that do not take into account the displacement of plates at the surface of Earth demonstrate that chemical buoyancy has an important effect on the geometry of convection. Then models include horizontal motion of plates 5000 km wide. Recycling of crust is taken into account. For a sufficiently high plate velocity which depends on the thermal Rayleigh number, the cell's size is strongly coupled with the plate's size. Plate motion forces chemically buoyant material to sink into the mantle. Then the positive chemical buoyancy yields upwelling as depleted mantle reaches the interface between the upper and the lower mantle. This process is very efficient in mixing the depleted and undepleted mantle at the scale of the grid spacing since these zones of upwelling disrupt the large convective flow. At low spreading rates, zones of upwelling develop quickly, melting occurs, and the model predicts intraplate volcanism by melting of subducted crust. At fast spreading rates, depleted mantle also favors the formation of these zones of upwelling, but they are not strong enough to yield partial melting. Their rapid displacement toward the ridge contributes to faster large-scale homogenization.

Dupeyrat, L.↗

A Two-Dimensional Linear Bicharacteristic FDTD Method

The linear bicharacteristic scheme (LBS) was originally developed to improve unsteady solutions in computational acoustics and aeroacoustics. The LBS has previously been extended to treat lossy materials for one-dimensional problems. It is a classical leapfrog algorithm, but is combined with upwind bias in the spatial derivatives. This approach preserves the time-reversibility of the leapfrog algorithm, which results in no dissipation, and it permits more flexibility by the ability to adopt a characteristic based method. The use of characteristic variables allows the LBS to include the Perfectly Matched Layer boundary condition with no added storage or complexity. The LBS offers a central storage approach with lower dispersion than the Yee algorithm, plus it generalizes much easier to nonuniform grids. It has previously been applied to two and three-dimensional free-space electromagnetic propagation and scattering problems. This paper extends the LBS to the two-dimensional case. Results are presented for point source radiation problems, and the FDTD algorithm is chosen as a convenient reference for comparison.

Beggs, John H.↗

Reentry Thermal Analysis of a Generic Crew Exploration Vehicle Structure

Comparative studies were performed on the heat-shielding characteristics of honeycomb-core sandwich panels fabricated with different materials for possible use as wall panels for the proposed crew exploration vehicle. Graphite/epoxy sandwich panel was found to outperform aluminum sandwich panel under the same geometry due to superior heat-shielding qualities and lower material density. Also, representative reentry heat-transfer analysis was performed on the windward wall structures of a generic crew exploration vehicle. The Apollo low Earth orbit reentry trajectory was used to calculate the reentry heating rates. The generic crew exploration vehicle has a graphite/epoxy composite honeycomb sandwich exterior wall and an aluminum honeycomb sandwich interior wall, and is protected with the Apollo thermal protection system ablative material. In the thermal analysis computer program used, the TPS ablation effect was not yet included; however, the results from the nonablation heat-transfer analyses were used to develop a "virtual ablation" method to estimate the ablation heat loads and the thermal protection system recession thicknesses. Depending on the severity of the heating-rate time history, the virtual ablation period was found to last for 87 to 107 seconds and the ablation heat load was estimated to be in the range of 86 to 88 percent of the total heat load for the ablation time period. The thermal protection system recession thickness was estimated to be in the range of 0.08 to 0.11 inches. For the crew exploration vehicle zero-tilt and 18-degree-tilt stagnation points, thermal protection system thicknesses of h = {0.717, 0.733} inches were found to be adequate to keep the substructural composite sandwich temperature below the limit of 300 F.

Ko, William L.↗

MEDLI2: MISP Inferred Aerothermal Environment and Flow Transition Assessment

The Mars Entry, Descent, and Landing Instrumentation 2 (MEDLI2) sensor suite on the Mars2020 mission contained multiple sensors on the aeroshell to measure the aerothermal environment during entry into the Martian atmosphere. These sensors performed superbly and successfully returned forebody and aftbody heating measurements. Analysis of MEDLI2 data indicated flow transitioning from a laminar to turbulent state on the heatshield. No evidence of flow transition was observed on the backshell. Two methods were used to estimate flow transition times on the heatshield: (1) temperature gradient of near-surface thermocouple data and (2) heat flux gradient from an inverse reconstruction approach using thermocouple data and material response modeling. Both methods produced similar transition times with an estimated accuracy of ±1 s. To assess various transition criteria, transition parameters were evaluated at each sensor location using flow field solutions from computational fluid dynamics (CFD) simulations. The idea was to use conservative values inferred from MEDLI2 data as transition criteria for other Mars missions. To test this hypothesis, MEDLI data from the Mars Science Laboratory (MSL) mission was used to compare predicted vs. actual flow transition times. The comparisons suggest smooth wall transition criteria are not well-suited in modeling the rapid progression of a turbulent transition front. Transition criteria containing a roughness element parameter agreed better with the flight data. In summary, critical transition values derived from MEDLI2 data may be used as a starting point in constructing a flow transition model for future Mars missions.

Chun Y Tang↗

Identifying Topological Defects in Lamellar Phases through Contour Analysis of Complex Wave Fields

Lamellar phases frequently contain structural imperfections that significantly affect their behaviors and properties. Our previous research successfully reconstructed real-space configurations of defective lamellar phases from diffuse scattering patterns, indicating the presence of phase vortices as a potential method for identifying topological defects disrupting the smectic ordering. Here, this report presents a mathematical framework using regularized wave fields to represent defective lamellar structures in real space. Phase singularities, resulting from the interference of random waves and indicating lamellar order disruption, are identified through a contour integral. These wave fields, derived from coherent scattering in reciprocal space, were validated via computational benchmarks analyzing small-angle neutron scattering data from AOT surfactant solutions, facilitating further statistical analysis of the defects. Our study highlights the potential to extract meaningful information about topological defects in lyotropic phases by inversely analyzing experimentally measured two-point static correlations. Our method allows for detailed structural analysis of various lyotropic phases, both particulate and nonparticulate, in their quiescent states and facilitates quantitative investigation of defects’ role in phase transitions. By integrating small-angle scattering, deep learning, and vortex tangle analysis, our comprehensive approach shows promise in addressing complex challenges in the structural analysis of soft matter systems.

36 MATERIALS SCIENCE↗

Electronic structure and optical properties of halide double perovskites from a Wannier-localized optimally-tuned screened range-separated hybrid functional

Halide double perovskites are a chemically diverse and growing class of compound semiconductors that are promising for optoelectronic applications. However, the prediction of their fundamental gaps and optical properties with density functional theory (DFT) and ab initio many-body perturbation theory has been a significant challenge. Recently, a nonempirical Wannier-localized optimally tuned screened range-separated hybrid (WOT-SRSH) functional has been shown to accurately produce the fundamental band gaps of a wide set of semiconductors and insulators, including lead halide perovskites. Here, in this study, we apply the WOT-SRSH functional to five halide double perovskites and compare the results with those obtained from other known functionals and previous GW calculations. We also use the approach as a starting point for GW calculations and we compute the band structures and optical absorption spectrum for Cs 2 AgBiBr 6 , using both time-dependent DFT and the GW-Bethe-Salpeter equation approach. We show that the WOT-SRSH functional leads to accurate fundamental and optical band gaps, as well as optical absorption spectra, consistent with spectroscopic measurements, thereby establishing WOT-SRSH as a viable method for the accurate prediction of optoelectronic properties of halide double perovskites.

36 MATERIALS SCIENCE↗

Growth of Carbon Nanotubes Using Mixed-Metal Catalysts That Include Heavy Refractory Metals as Catalyst Stabilizers

Here, we report new findings from studies of a novel technique to augment the growth of CNTs. In this method, the catalytic metals used for CNT growth are combined with high-melting-point heavy refractory metals, which serve to stabilize the metal catalyst nanoparticles, from which the CNTs nucleate and grow. Our study investigates the combination of an iron catalyst with tungsten and osmium refractory stabilizers. We find that both tungsten and osmium enhance the lifetime of the iron catalyst particles by a factor of approximately two. Tungsten stabilizer resulted in production of CNTs longer by a factor of 1.25 compared to those produced using a pure iron catalyst, while the osmium stabilizer did not significantly affect the ultimate length of the CNTs due to the decreased CNT growth rate with a combined Fe/Os catalyst. These results suggest a possible new route toward producing CNTs with lengths sufficient for materials applications.

Park, Wonjung [Univ. of Tampa, FL (United States)]↗

From molecular to macroscopic: predicting liquid–liquid phase equilibria and small-angle scattering of mixtures of organic liquids from atomistic simulation using Kirkwood–Buff theory

Macroscopic phase equilibria between solutions define the functionality of many biological and industrial processes, yet they are challenging to predict due to the inherent complexity of liquids containing large molecules. This work introduces an approach for the purely predictive calculation of such phase equilibria in temperature-composition space from molecular dynamics (MD) simulations at one temperature in the single-phase region. We use an approach developed previously to obtain the entropic and enthalpic contributions to the free energy of mixing from the atomic-scale information given by MD simulations via Kirkwood–Buff theory. This allows us to accurately estimate the free energy of mixing as a function of temperature, and thus obtain liquid–liquid phase equilibria, including liquid–liquid critical points, associated binodal and spinodal lines, and composition fluctuations across a region of temperature and composition. Results for binary malonamide–alkane systems are validated by comparison to a direct experimental probe of the fluctuations: the small angle X-ray scattering intensity near zero wavenumber. The MDKB → Phase method demonstrated here provides a significant improvement in predicting liquid–liquid equilibria and free energy as a function of temperature for our systems of interest compared to conventional thermodynamic models. The accurate performance of this purely predictive approach lies in its preservation of atomistic details when determining thermodynamic properties. Furthermore, its inherent extensibility to multi-component systems will likely make the MDKB → Phase approach a valuable general tool for connecting molecular interactions to macroscopic phase equilibria and for the computational screening of materials for targeted thermodynamic behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An unwanted guest in the electrochemical oxidation of high-voltage Li-ion battery electrolytes: the life of highly reactive protons

Lithium-ion batteries (LIBs) are central to the urgent societal need to decarbonize both transportation and energy storage on the grid. Unfortunately, despite their attractive energy/power density, as well as high coulombic and energy efficiencies, further improvement of this technology – especially their durability – is desperately needed. To support these efforts, our study focuses on fundamental understanding of the decomposition pathways for LIB electrolytes at the cathode–electrolyte interface (CEI), as the nature of these reactions directly controls the extent to which cell capacity and voltage decays in these systems. In this study, we employ electrochemical methods, coupled with product analysis using NMR spectroscopy and mass spectrometry, to determine the decomposition mechanisms in both model and technologically relevant electrolytes. Remarkably, we discovered the electrochemical formation of protons with high chemical activity, comparable to known superacids, at potentials relevant to practical Li-ion batteries. Their reactivity toward every individual component of the CEI provides a unified thermochemical origin for a myriad of side reactions that are commonly associated with the electrochemical reaction. In particular, electrochemically generated protons react with intact EC molecules to form CO 2 and other short and long chain ethers. They also undergo an acid–base reaction with LiPF 6 , to form the weaker acid HF, and with the cathode active material, leaching transition metals into the electrolyte. Collectively, the results of this study all point to the urgent need to either mitigate this proton formation or introduce benign harvesting additives via new electrolyte design strategies.

Ilic, Stefan [Argonne National Laboratory (ANL), A↗

Automated tabletop exfoliation and identification of monolayer graphene flakes

Over the past two decades, graphene has been intensively studied because of its remarkable mechanical, optical, and electronic properties. Initial studies were enabled by manual “Scotch Tape” exfoliation; nearly two decades later, this method is still widely used to obtain chemically pristine flakes of graphene and other 2D van der Waals materials. Unfortunately, the yield of large, pristine flakes with uniform thickness is inconsistent. Thus, significant time and effort are required to exfoliate and locate flakes suitable for fabricating multilayer van der Waals heterostructures. Here, we describe a relatively affordable tabletop device (the “eXfoliator”) that can reproducibly control key parameters and largely automate the exfoliation process. In a typical exfoliation run, the eXfoliator produces 3 or more large (≥ 400 μm 2 ) high-quality graphene monolayer flakes, allowing new users to produce such flakes at a rate comparable to manual exfoliation by an experienced user. Furthermore, we use an automated mapping system and a computer vision algorithm to locate candidate flakes. Our results provide a starting point for future research efforts to identify more precisely which parameters matter for the success of exfoliation and to optimize them.

47 OTHER INSTRUMENTATION↗

Lunar oxygen - The reduction of glass by hydrogen

The direct reduction of volcanic glass by hydrogen has been proposed as a method of extracting oxygen from the lunar soil. Experiments using lunar simulant glasses reacted with flowing hydrogen gas have demonstrated reduction at temperatures from 1000 to 1200 C. For melted samples ferrous iron was reduced to the metal, which formed large crystals at the expense of the glass. Samples held below the melting point rapidly devitrified, and iron was formed from submicrometer crystals of ilmenite and pyroxene. Weight losses of 3.6 - 4.5 percent, depending on glass composition, were achieved in 3 hours at 1100 C. A lunar oxygen plant operating at this efficiency and utilizing Apollo 17 orange glass as a feedstock could produce 50 kg of oxygen per ton of soil. The processes of reduction and sintering of lunar soil are synergistic, and could be combined to produce both oxygen and construction material at a moon base.

Allen, Carlton C.↗

MoSi2-Base Hybrid Composite Passed Engine Test

The intermetallics compound molybdenum disilicide (MoSi2) is an attractive high-temperature structural material for advanced engine applications. It has excellent oxidation resistance, a high melting point, relatively low density, and high thermal conductivity, and it is easily machined. Past research'at the NASA Lewis Research Center has resulted in the development of a hybrid composite consisting of a MoSi2 matrix reinforced with silicon nitride (Si3N4) Particulate and silicon carbide (SiC) fibers. This composite has demonstrated attractive strength, toughness, thermal fatigue, and oxidation resistance, including resistance to "pest" oxidation. These properties attracted the interest of the Office of Naval Research and Pratt & Whitney, and a joint NASA/Navy/Pratt & Whitney effort was developed to continue to mature the MoSi2 Composite technology. A turbine blade outer air seal, which was part of the Integrated High Performance Turbine Engine Technology (IHPTET) program, was chosen as a first component on which to focus. The first tasks of the materials development effort were to develop improved processing methods to reduce costs and to use fine-diameter fibers that enable the manufacturing of complex shapes. Tape-casting methods were developed to fully infiltrate the fine SiC fibers with matrix powders. The resulting composites were hot pressed to 100-percent density. Composites with cross-plied fiber architectures with 30 vol. % hi-nicalon SiC fibers and 30 vol. % nitride particles are now made routinely and demonstrate a good balance of properties. The next task entailed the measurement of a wide variety of mechanical properties to confirm the suitability of this composite in engines. In particular, participants in this effort demonstrated that composites made with Hi-Nicalon fibers had strength and toughness properties equal to or better than those of the composites made with the large-diameter fibers that had been used previously. Another critically important property measured was impact resistance. Aircraft engine components require sufficient toughness to resist manufacturing defects, assembly damage, stress concentrations at notches, and foreign object damage. Engine company designers indicated that impact resistance would have to be measured before they would seriously consider these types of composites. The Charpy V-notch test was chosen to assess impact resistance, and both monolithic and composite versions Of MOSi2 were tested from -300 to 1400 C. The results (see the following graphs) show that nitride-particulate-reinforced MoSi2 exhibited impact resistance higher than that of many monolithic ceramics and intermetallics, and that the fiber-reinforced composites had even higher values, approaching that of cast superalloys.

Keith, Theo G., Jr.↗

Hardware Development Process for Human Research Facility Applications

The simple goal of the Human Research Facility (HRF) is to conduct human research experiments on the International Space Station (ISS) astronauts during long-duration missions. This is accomplished by providing integration and operation of the necessary hardware and software capabilities. A typical hardware development flow consists of five stages: functional inputs and requirements definition, market research, design life cycle through hardware delivery, crew training, and mission support. The purpose of this presentation is to guide the audience through the early hardware development process: requirement definition through selecting a development path. Specific HRF equipment is used to illustrate the hardware development paths. The source of hardware requirements is the science community and HRF program. The HRF Science Working Group, consisting of SCientists from various medical disciplines, defined a basic set of equipment with functional requirements. This established the performance requirements of the hardware. HRF program requirements focus on making the hardware safe and operational in a space environment. This includes structural, thermal, human factors, and material requirements. Science and HRF program requirements are defined in a hardware requirements document which includes verification methods. Once the hardware is fabricated, requirements are verified by inspection, test, analysis, or demonstration. All data is compiled and reviewed to certify the hardware for flight. Obviously, the basis for all hardware development activities is requirement definition. Full and complete requirement definition is ideal prior to initiating the hardware development. However, this is generally not the case, but the hardware team typically has functional inputs as a guide. The first step is for engineers to conduct market research based on the functional inputs provided by scientists. CommerCially available products are evaluated against the science requirements as well as modifications needed to meet program requirements. Options are consolidated and the hardware development team reaches a hardware development decision point. Within budget and schedule constraints, the team must decide whether or not to complete the hardware as an in-house, subcontract with vendor, or commercial-off-the-shelf (COTS) development. An in-house development indicates NASA personnel or a contractor builds the hardware at a NASA site. A subcontract development is completed off-site by a commercial company. A COTS item is a vendor product available by ordering a specific part number. The team evaluates the pros and cons of each development path. For example, in-bouse developments utilize existing corporate knowledge regarding bow to build equipment for use in space. However, technical expertise would be required to fully understand the medical equipment capabilities, such as for an ultrasound system. It may require additional time and funding to gain the expertise that commercially exists. The major benefit of subcontracting a hardware development is the product is delivered as an end-item and commercial expertise is utilized. On the other hand, NASA has limited control over schedule delays. The final option of COTS or modified COTS equipment is a compromise between in-house and subcontracts. A vendor product may exist that meets all functional requirements but req uires in-house modifications for successful operation in a space environment. The HRF utilizes equipment developed using all of the paths described: inhouse, subcontract, and modified COTS.

Bauer, Liz↗