Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Structure elucidation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15

The Shape Effect: Influence of 1D and 2D Boron Nitride Nanostructures on the Radiation Shielding, Thermal, and Damping Properties of High-Temperature Epoxy Composites

In space exploration, lightweight multifunctional materials capable of shielding neutron radiation, dissipating heat, and providing damping are essential. Polymer composites reinforced with boron nitride (BN) nanomaterials—specifically one-dimensional boron nitride nanotubes (BNNTs) and two-dimensional boron nitride nanoplatelets (BNNPs)—offer promising solutions. This study investigates how BN nanomaterial morphology influences the performance of high-temperature (HT) epoxy composites. We developed ultralightweight, three-dimensional BN foams comprising 1D BNNTs, 2D BNNPs, and hybrid 1D BNNT/2D BNNP structures via freeze-drying, then infiltrated them with HT epoxy to form dense composites. The BNNT foam exhibited the highest neutron radiation shielding, with a mass absorption coefficient of 26.64 cm2 g −1 , outperforming the hybrid foam (18.18 cm 2 g −1 ) and the BNNP foam (11.12 cm 2 g −1 ). A similar trend was observed in the HT epoxy composites; incorporating these foams at least doubled the mass absorption coefficient compared to the neat polymer. In terms of thermal conductivity, the BNNT/BNNP foam-epoxy composite achieved the highest value of 0.34 W m −1 K −1 , a 2.13-fold increase over neat HT epoxy. The BNNT/BNNP foam-epoxy composites also improved by 1.88 and 1.75 times, respectively. Mechanical testing revealed that BNNP foams withstood the highest loads during nanoindentation (3.53 kN), followed by BNNT/BNNP foams (1.93 kN) and BNNT foams (1.56 kN). All BN foam-epoxy composites exhibited enhanced damping properties, with tan δ increasing by at least 30 % compared to neat HT epoxy. These findings elucidate the impact of BN nanomaterial morphology on the multifunctional performance of HT epoxy composites, offering insights for developing high-performance, tailorable materials for demanding environments.

Kazue Orikasa↗

Levitation Technology in International Space Station Research

The International Space Station (ISS) is a unique multidisciplinary orbiting laboratory for science and technology research, enabling discoveries that benefit life on Earth and exploration of the universe. ISS facilities for containerless sample processing in Materials Science experiments include levitation devices with specimen positioning control while reducing containment vessel contamination. For example, ESA's EML (ElectroMagnetic Levitator), is used for melting and solidification of conductive metals, alloys, or semiconductors in ultra-high vacuum, or in high-purity gaseous atmospheres. Sample heating and positioning are accomplished through electromagnetic fields generated by a coil system. EML applications cover investigation of solidification and microstructural formation, evaluation of thermophysical properties of highly reactive metals (whose properties can be very sensitive to contamination), and examination of undercooled liquid metals to understand metastable phase convection and influence convection on structural changes. MSL utilization includes development of novel light-weight, high-performance materials. Another facility, JAXA's ELF (Electrostatic Levitation Furnace), is used to perform high temperature melting while avoiding chemical reactions with crucibles by levitating a sample through Coulomb force. ELF is capable of measuring density, surface tension, and viscosity of samples at high temperatures. One of the initial ELF investigations, Interfacial Energy-1, is aimed at clarification of interfacial phenomena between molten steels and oxide melts with industrial applications in control processes for liquid mixing. In addition to these Materials Science facilities, other ISS investigations that involve levitation employ it for biological research. For example, NASA's "Magnetic 3D Culturing and Bioprinting" investigation uses magnetic levitation for three-dimensional culturing and positioning of magnetized cells to generate spheroid assemblies for biomedical applications. Levitation is also used as a modeled microgravity ground analog in the NASA OsteoOmics ISS investigation, which tests whether magnetic levitation accurately simulates microgravity conditions by studying gravitational regulation of osteoblast and osteoclast genomics and metabolism. Elucidating the cellular mechanisms of bone loss in microgravity contributes to the understanding of bone loss in medical disorders on Earth, which may lead to development of preventive or therapeutic countermeasures. Thus, the ISS state-of-the-art laboratory offers various levitation capability platforms with applications for innovative research in Materials and Life Sciences disciplines, with benefits for humanity.

Guinart-Ramirez, Y.↗

Computational Nanomechanics of Carbon Nanotubes and Composites

Nanomechanics of individual carbon and boron-nitride nanotubes and their application as reinforcing fibers in polymer composites has been reviewed with interplay of theoretical modeling, computer simulations and experimental observations. The emphasis in this work is on elucidating the multi-length scales of the problems involved, and of different simulation techniques that are needed to address specific characteristics of individual nanotubes and nanotube polymer-matrix interfaces. Classical molecular dynamics simulations are shown to be sufficient to describe the generic behavior such as strength and stiffness modulus but are inadequate to describe elastic limit and nature of plastic buckling at large strength. Quantum molecular dynamics simulations are shown to bring out explicit atomic nature dependent behavior of these nanoscale materials objects that are not accessible either via continuum mechanics based descriptions or through classical molecular dynamics based simulations. As examples, we discus local plastic collapse of carbon nanotubes under axial compression and anisotropic plastic buckling of boron-nitride nanotubes. Dependence of the yield strain on the strain rate is addressed through temperature dependent simulations, a transition-state-theory based model of the strain as a function of strain rate and simulation temperature is presented, and in all cases extensive comparisons are made with experimental observations. Mechanical properties of nanotube-polymer composite materials are simulated with diverse nanotube-polymer interface structures (with van der Waals interaction). The atomistic mechanisms of the interface toughening for optimal load transfer through recycling, high-thermal expansion and diffusion coefficient composite formation above glass transition temperature, and enhancement of Young's modulus on addition of nanotubes to polymer are discussed and compared with experimental observations.

Srivastava, Deepak↗

The Role of Stress Proteins in Cell Stabilization: A Perspective from an Extremophile

The existence of organisms that live at near boiling temperatures is living proof that all of the complex biochemical machinery of life can be adapted to function under these harsh conditions. The purpose of our research is to elucidate the role of a group of proteins known as heat shock proteins or HSP60s in this adaptation to high temperatures. HSP60s are found in all organisms and they are among the most highly conserved proteins known. We are investigating HSP60s in an organism growing at 80 C and pH 2.0 (Sulfolobus shibatae). This organism produces three closely-related HSP60 proteins, referred to as HSP60 alpha, beta, and gamma. Our DOE-funded research during the last two years has focused on clarifying the role of FiSP60 alpha and beta. These are among the two most abundant proteins in S. shibatae grown at high temperatures and significantly increase in abundance when the cells are exposed to near-lethal temperatures. We have demonstrated that these proteins protect the cells from lethal temperatures by stabilizing their membranes. During this last year we have been studying gamma, which was discovered by genome sequence analysis but nothing was known about its function. We have determined that gamma is only expressed at low temperatures. that it interacts with alpha and beta, and that it influences their ability to form higher-order structures critical to their function. We propose that gamma modulates HSP60 function at low temperatures.

Trent, Jonathan↗

A Combined Computational, Experimental, and Technology Development Approach to In-Space Laser Manufacturing Maturation at NASA Marshall Space Flight Center

In-space manufacturing (ISM) is emerging as a field vital to continued access and capabilities in the space environment. NASA Marshall Space Flight Center (MSFC) is advancing the frontier of in-space laser manufacturing (ISLM) techniques through work initially focused on maturing laser beam welding (LBW) and laser forming (LF) for use in space. Such techniques proffer the ability to assemble and join structures in space from sheet metal or other stock – extant satellites, in situ resource utilization of Lunar regolith, etc. – by forming to desired shapes and then joining via in-space welding (ISW). ISLM processes are useful for assembly, joining, modification, and repair of structures in free space and on the Lunar surface such as large observatories, antennas, trusses, blast/thermal/radiation shields, pressure vessels, and more. However, these techniques are not yet qualified & certified (Q&C) for regular application in space. It would be prohibitively expensive, laborious, and time-consuming to perform Q&C via traditional experimental approaches as data collection & experimentation in space is resource-intensive. As such, benchmark experiments and focused, properly instrumented technology demonstration efforts in space can collect sufficient data that – when combined with verified computational models in an integrated computational materials engineering (ICME) approach – can validate ICME tools capable of translating more readily obtained ground data to in-space, in situ, computationally informed Q&C of ISLM techniques. Several ISLM projects at MSFC are obtaining the data required to validate ICME tools through both ground and flight experiments. A parabolic flight experiment of LBW under vacuum is manifested for August 2024, including both microgravity and Lunar gravity profiles. This collaboration with the Ohio State University is investigating common aerospace alloys such as 316L stainless steel, 2219 aluminum alloy, and Ti64 titanium alloy. In situ data collection includes videography, thermography, and reference thermocouples to build a thermal model of the welds. This will elucidate the relevant physics when combined with post-flight microstructural examination and mechanical testing. MSFC is also progressing towards a suborbital flight experiment of LBW under vacuum, which could provide reams of data on ISW during sustained, high-quality reduced gravity. The effect of combined thermal (cryogenic and high-temperature) and vacuum exposure on both LBW (NASA-funded) and LF (DARPA-funded) is being investigated through ground experiments. In addition to the copious data collected during these ground experiments, ruggedization of LBW hardware will also be pursued. The datasets from these experiments will be used to validate computational models which will inform future ISLM efforts in an ICME framework. A variety of techniques across lengths scales, from CALPHAD-driven thermodynamics & kinetics to phase field modeling of solidification to kinetic Monte Carlo simulations of grain evolution at the mesoscale, will be employed to accelerate the infusion and eventual Q&C of LBW and LF for use in space. The development of data-driven surrogate models to bridge ground to flight experiments and thereby reduce the need for resource-intensive experiments in space will also be investigated. These ICME techniques, surrogate models, and datasets from ground testing can also be employed to advance manufacturing in terrestrial environments.

in-space welding↗

On the dynamics of a shock-bubble interaction

We present a detailed numerical study of the interaction of a weak shock wave with an isolated cylindrical gas inhomogenity. Such interactions have been studied experimentally in an attempt to elucidate the mechanisms whereby shock waves propagating through random media enhance mixing. Our study concentrates on the early phases of the interaction process which are dominated by repeated refractions of acoustic fronts at the bubble interface. Specifically, we have reproduced two of the experiments performed by Haas and Sturtevant : M(sub s) = 1.22 planar shock wave, moving through air, impinges on a cylindrical bubble which contains either helium or Refrigerant 22. These flows are modelled using the two-dimensional, compressible Euler equations for a two component fluid (air-helium or air-Refrigerant 22). Although simulations of shock wave phenomena are now fairly commonplace, they are mostly restricted to single component flows. Unfortunately, multi-component extensions of successful single component schemes often suffer from spurious oscillations which are generated at material interfaces. Here we avoid such problems by employing a novel, nonconservative shock-capturing scheme. In addition, we have utilized a sophisticated adaptive mesh refinement algorithm which enables extremely high resolution simulations to be performed relatively cheaply. Thus we have been able to reproduce numerically all the intricate mechanisms that were observed experimentally (e.g., transitions from regular to irregular refraction, cusp formation and shock wave focusing, multi-shock and Mach shock structures, jet formation, etc.), and we can now present an updated description for the dynamics of a shock-bubble interaction.

Quirk, James J.↗

Unbounded Learning Environments as an Approach to Preserving Design Flexibility Demonstrated With Nasa Stem Enhancement in Earth Science (SEES) Students

The Artemis Lunar program is providing opportunity for young scientists and engineers to contribute towards leading edge design concepts regarding early on-surface work areas that are aligned with major national initiatives. Therefore, it is imperative in any discovery process that those young scientists and engineers be provided the bandwidth or operating in a ‘greenfield’ technology environment that encourages new ideas, and perhaps the discovery of ideas that would not be realized within typical structured engineering constraints. To facilitate this concept, the use of unbounded teaching methods was utilized to provide a low-constraint environment from which students can design and discover the requirements that are bounded by the natural environment of the lunar surface, and then build up design requirements un-hindered by budgetary and/or logistics realizations of the moment funding capabilities. Specifically, this design exercise provided the students to operate with unlimited budgets, and unlimited up-mass lifts to the lunar surface to develop a preliminary feasible process for establishing a working lunar research based upon the near-area permanently shadowed regions within the lunar surface. In concept, working near PSRs will be advantageous as they receive near eternal shielding from solar radiation and may potentially host numerous volatile substances such as water ice, methane, hydrogen sulfide and helium-3 that will be the target of scientific investigation and in-situ resource utilization ISRU. The advantage of an upstream working area is that the quality of return materials could potentially be exponential when including an upstream analysis prior to earth-return missions. Furthermore, it’s well known within the scientific and engineering community that working with the base materials in front of human eyes elucidates new features and observations that may not survive when stored and shipped to Earth. Finally, it is theorized that these methods and techniques developing on the lunar surface would be applicable to other planets or cometary surfaces.

Education↗

Measurement of Atmospheric Composition from Geostationary Platforms

Satellite instruments flown since 1970 have had great success in elucidating the processes that control stratospheric ozone. In contrast, space-based data for tropospheric constituents that affect air quality and climate have only recently become available. While these datasets highlight the rapidly advancing capabilities of spacebased tropospheric sensors, they are also pointing to the limitations of sun-synchronous, low-earth orbiting (SSO/LEO) satellite platforms for making such measurements. In our talk we will highlight the science requirements for new missions and the technological and algorithmic approaches that we are developing to meet these requirements. From these studies a clear need for advanced atmospheric composition sensors has emerged that can be put on geostationary (GEO) platforms to provide 5 km horizontal resolution with 15-60 minutes repeat cycle. Such measurements have been high priority in the recently released Decadal Survey report by the US National Research Council. The need for GEO is driven not only by the science requirements to track rapidly changing pollution events but also by the need to provide altitude-resolved information about tropospheric constituents. Currently, with the exception of aerosols, it is not possible to derive profile information about lower tropospheric constituents from satellite measurements. New algorithmic approaches are being developed to obtain this information by combining UV and IR data, by monitoring the spatial and temporal structures of the constituents, and by using low-level clouds to separate boundary layer constituents from free troposphere. All these approaches require better spatial and temporal resolution than that provided by LEO sensors.

Bhartia, P. K.↗

Mechanistic Studies of Combustion and Structure Formation During Synthesis of Advanced Materials

Combustion in a variety of heterogeneous systems, leading to the synthesis of advanced materials, is characterized by high temperatures (2000-3500 K) and heating rates (up to 10(exp 6) K/s) at and ahead of the reaction front. These high temperatures generate liquids and gases which are subject to gravity-driven flow. The removal of such gravitational effects is likely to provide increased control of the reaction front, with a consequent improvement in control of the microstructure of the synthesized products. Thus, microgravity (mu-g) experiments lead to major advances in the understanding of fundamental aspects of combustion and structure formation under the extreme conditions of the combustion synthesis (CS) wave. In addition, the specific features of microgravity environment allow one to produce unique materials, which cannot be obtained under terrestrial conditions. The current research is a logic continuation of our previous work on investigations of the fundamental phenomena of combustion and structure formation that occur at the high temperatures achieved in a CS wave. Our research is being conducted in three main directions: 1) Microstructural Transformations during Combustion Synthesis of Metal-Ceramic Composites. The studies are devoted to the investigation of particle growth during CS of intermetallic-ceramic composites, synthesized from nickel, aluminum, titanium, and boron metal reactants. To determine the mechanisms of particle growth, the investigation varies the relative amount of components in the initial mixture to yield combustion wave products with different ratios of solid and liquid phases, under 1g and mu-g conditions; 2) Mechanisms of Heat Transfer during Reactions in Heterogeneous Media. Specifically, new phenomena of gasless combustion wave propagation in heterogeneous media with porosity higher than that achievable in normal gravity conditions, are being studied. Two types of mixtures are investigated: clad powders, where contact between reactants occurs within each particle, and mixtures of elemental powders, where interparticle contacts are important for the reaction; and 3) Mechanistic Studies of Phase Separation in Combustion of Thermite Systems. Studies are devoted to experiments on thermite systems (metal oxide-reducing metal) where phase separation processes occur to produce alloys with tailored compositions and properties. The separation may be either gravity-driven or due to surface forces, and systematic studies to elucidate the true mechanism are being conducted. The knowledge obtained will be used to find the most promising ways of controlling the microstructure and properties of combustion-synthesized materials. Low-gravity experiments are essential to create idealized an environment for insights into the physics and chemistry of advanced material synthesis processes.

Varma, A.↗

Modeling the Frozen-In Anticyclone in the 2005 Arctic Summer Stratosphere

Immediately following the breakup of the 2005 Arctic spring stratospheric vortex, a tropical air mass, characterized by low potential vorticity (PV) and high nitrous oxide (N2O), was advected poleward and became trapped in the easterly summer polar vortex. This feature, known as a "Frozen-In Anticyclone (FrIAC)", was observed in Earth Observing System (EOS) Aura Microwave Limb Sounder (MLS) data to span the potential temperature range from approximately 580 to 1100 K (approximately 25 to 40 km altitude) and to persist from late March to late August 2005. This study compares MLS N2O observations with simulations from the Global Modeling Initiative (GMI) chemistry and transport model, the GEOS-5/MERRA Replay model, and the VanLeer Icosahedral Triangular Advection isentropic transport model to elucidate the processes involved in the lifecycle of the FrIAC which is here divided into three distinct phases. During the "spin-up phase" (March to early April), strong poleward flow resulted in a tight isolated anticyclonic vortex at approximately 70-90 deg N, marked with elevated N2O. GMI, Replay, and VITA all reliably simulted the spin-up of the FrIAC, although the GMI and Replay peak N2O values were too low. The FrIAC became trapped in the developing summer easterly flow and circulated around the polar region during the "anticyclonic phase" (early April to the end of May). During this phase, the FrIAC crossed directly over the pole between the 7th and 14th of April. The VITA and Replay simulations transported the N2O anomaly intact during this crossing, in agreement with MLS, but unrealistic dispersion of the anomaly occurred in the GMI simulation due to excessive numerical mixing of the polar cap. The vortex associated with the FrIAC was apparently resistant to the weak vertical hear during the anticyclonic phase, and it thereby protected the embedded N20 anomaly from stretching. The vortex decayed in late May due to diabatic processes, leaving the N2O anomaly exposed to horizontal and vertical wind shears during the "shearing phase" (June to August). The observed lifetime of the FrIAC during this phase is consistent with time-scales calculated from the ambient horizontal and vertical wind shear. Replay maintained the horizontal structure of the N2O anomaly similar to NILS well into August. The VITA simulation also captured the horizontal structure of the FrIAC during this phase, but VITA eventually developed fine-scale N2O structure not observed in MLS data.

Allen, D. R.↗

Change in Mouse Bone Turnover in Response to Microgravity on RR-1

Mechanical unloading during spaceflight is known to adversely affect mammalian physiology. Our previous studies using the Animal Enclosure Module on short duration Shuttle missions enabled us to identify a deficit in stem cell based-tissue regeneration as being a significant concern for long-duration spaceflight. Specifically, we found that mechanical unloading in microgravity resulted in inhibition of differentiation of mesenchymal and hematopoietic stem cells in the bone marrow compartment. Also, we observed overexpression of a cell cycle arrest molecule, CDKN1ap21, in osteoprecursor cells on the bone surface, chondroprogenitors in the articular cartilage, and in myofibers attached to bone tissue. Specifically in bone tissue during both short (15-day) and long (30-day) microgravity experiments, we observed significant loss of bone tissue and structure in both the pelvis and the femur. After 15-days of microgravity on STS-131, pelvic ischium displayed a 6.23 decrease in bone fraction (p0.005) and 11.91 decrease in bone thickness (p0.002). Furthermore, during long-duration spaceflight we observed onset of an accelerated aging-like phenotype and osteoarthritic disease state indicating that stem cells within the bone tissue fail to repair and regenerate tissues in a normal manner, leading to drastic tissue alterations in response to microgravity. The Rodent Research Hardware System provides the capability to investigate these effects during long-duration experiments on the International Space Station. During the Rodent Research-1 mission 10 16-week-old female C57Bl6J mice were exposed to 37-days of microgravity. All flight animals were euthanized and frozen on orbit for future dissection. Ground (n10) and vivarium controls (n10) were housed and processed to match the flight animal timeline. During this study we collected pelvis, femur, and tibia from all animal groups to test the hypothesis that stem cell-based tissue regeneration is significantly altered after 37-days of spaceflight. To do this, we will analyze differences in bone morphometric parameters using MicroCT. The pelvis, femur, and tibia are key in supporting and distributing weight under normal conditions. Therefore, we expect to see altered remodeling in flight animals in response to microgravity with respect to ground controls. In combination with histomorphometry, these results will help elucidate the complex mechanisms underlying bone tissue maintenance and stem cell regeneration.

bone↗

Changes in Mouse Bone Turnover in Response to Microgravity

Mechanical unloading during spaceflight is known to adversely affect mammalian physiology. Our previous studies using the Animal Enclosure Module on short duration Shuttle missions enabled us to identify a deficit in stem cell based-tissue regeneration as being a significant concern for long-duration spaceflight. Specifically, we found that mechanical unloading in microgravity resulted in inhibition of differentiation of mesenchymal and hematopoietic stem cells in the bone marrow compartment. Also, we observed overexpression of a cell cycle arrest molecule, CDKN1a/p21, in osteoprecursor cells on the bone surface, chondroprogenitors in the articular cartilage, and in myofibers attached to bone tissue. Specifically in bone tissue during both short (15-day) and long (30-day) microgravity experiments, we observed significant loss of bone tissue and structure in both the pelvis and the femur. After 15-days of microgravity on STS-131, pelvic ischium displayed a 6.23% decrease in bone fraction (p=0.005) and 11.91% decrease in bone thickness (p=0.002). Furthermore, during long-duration spaceflight we observed onset of an accelerated aging-like phenotype and osteoarthritic disease state indicating that stem cells within the bone tissue fail to repair and regenerate tissues in a normal manner, leading to drastic tissue alterations in response to microgravity. The Rodent Research Hardware System provides the capability to investigate these effects during long-duration experiments on the International Space Station. During the Rodent Research-1 mission 10 16-week-old female C57Bl/6J mice were exposed to 37-days of microgravity. All flight animals were euthanized and frozen on orbit for future dissection. Ground (n=10) and vivarium controls (n=10) were housed and processed to match the flight animal timeline. During this study we collected pelvis, femur, and tibia from all animal groups to test the hypothesis that stem cell-based tissue regeneration is significantly altered after 37-days of spaceflight. To do this, we will analyze differences in bone morphometric parameters using MicroCT. The pelvis, femur, and tibia are key in supporting and distributing weight under normal conditions. Therefore, we expect to see altered remodeling in flight animals in response to microgravity with respect to ground controls. In combination with histomorphometry, these results will help elucidate the complex mechanisms underlying bone tissue maintenance and stem cell regeneration.

microgravity↗

In-Situ Scanning Electron Microscope Experiments for Microscale Mechanical Testing and Validated Modeling of Fiber Reinforced Thermoplastics

A novel, in-situ, scanning electron microscope (SEM) mechanical testing capability for materials at the microscale which provides experimental validation to a machine learning (ML) toolset for full-field validation of physics-based micromechanics models is being developed by researchers at NASA Glenn Research Center. These are enabling technologies for the integration of multiscale digital twins for materials into system level models which will result in the improved performance, material discovery, reduced production cost and time, rapid characterization, and prognostic structural health monitoring (SHM) for materials and structures for extreme environments in support of NASA space exploration missions. In order to bridge the material structure-to-system gap for digital twins, physics-based models must be experimentally validated at multiple length scales. Seminal microscale experiments, conducted at the Air Force Research Laboratory (AFRL), were limited to transverse compression of single-layer, unidirectional thermoset polymer matrix composite (PMC) micropillar specimens [1]. The early phases of the current project followed those initial results and setup to reproduce the compression testing of PMC material on the custom-built piezoelectric actuated micromechanical testing rig built by MicroTesting Solutions LLC. In this work, samples of thermoplastic PMC material were first machined into 3 mm cubes, and then further machining and final milling was done using a Focused Ion Beam (FIB). The initial experiment was done on a pillar roughly 20 µm x 20 µm x 40 µm tall. Additional pillars were milled with final sizes ranging from 20 µm x 20 µm x 40 µm tall to 40 µm x 40 µm x 65 µm tall. A speckle pattern for in-situ full-field measurements using Digital Image Correlation (DIC) was applied with platinum, which was coated on the surface, and then the FIB was used to mill away some of the coating to produce an irregular pattern of Pt on the pillar surface. The samples were loaded into the custom testing rig and placed into the SEM and loaded under compression until failure. Images were collected in the SEM during testing. Post-processing of the images was conducted using DIC to obtain full-field displacement and strain measurements elucidating the role of the matrix as well as fiber-fiber interaction at the microscale within the composite subjected to compression loading well into the non-linear regime of the material. Moreover, the evolution of fiber-matrix debonding and matrix cracking is observed in-situ at the microscale. This data, along with images segmented with a newly developed ML toolset [2], was used to create and validate physics-based micromechanics models. An image of the failed micropillar is shown in Figure 1. The techniques developed in the initial compression experiment was tailored to the validation needs of the models and expanded to include different sized samples as well as possibly tension and fatigue.

Laura Wilson↗

Compound-Specific Carbon Isotope Compositions of Aldehydes and Ketones in the Murchison Meteorite

Compound-specific carbon isotope analysis (delta(exp 13)C) of meteoritic organic compounds can be used to elucidate the abiotic chemical reactions involved in their synthesis. The soluble organic content of the Murchison carbonaceous chondrite has been extensively investigated over the years, with a focus on the origins of amino acids and the potential role of Strecker-cyanohydrin synthesis in the early solar system. Previous delta(exp 13)C investigations have targeted alpha-amino acid and alpha-hydroxy acid Strecker products and reactant HCN; however, delta(exp 13)C values for meteoritic aldehydes and ketones (Strecker precursors) have not yet been reported. As such, the distribution of aldehydes and ketones in the cosmos and their role in prebiotic reactions have not been fully investigated. Here, we have applied an optimized O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) derivatization procedure to the extraction, identification, and delta(exp 13)C analysis of carbonyl compounds in the Murchison meteorite. A suite of aldehydes and ketones, dominated by acetaldehyde, propionaldehyde, and acetone, were detected in the sample. delta(exp 13)C values, ranging from -10.0(0/00) to +66.4(0/00), were more (exp 13)C-depleted than would be expected for aldehydes and ketones derived from the interstellar medium, based on interstellar (exp 12)C/(exp 13)C ratios. These relatively (exp 13)C-depleted values suggest that chemical processes taking place in asteroid parent bodies (e.g., oxidation of the IOM) may provide a secondary source of aldehydes and ketones in the solar system. Comparisons between delta(exp 13)C compositions of meteoritic aldehydes and ketones and other organic compound classes were used to evaluate potential structural relationships and associated reactions, including Strecker synthesis and alteration-driven chemical pathways.

meteoritic organic compounds↗

Variations in Apatite F, Cl, and OH Abundances in Primitive Achondrites: Evidence of Fractional Melting?

The apatite group minerals [Ca 5 (PO 4 ) 3 (F,Cl,OH)] are some of the primary mineralogical reservoirs for phosphorus on Earth and a common phosphate mineral within a broad range of extraterrestrial samples. Naturally occurring apatite hosts F, Cl, and OH as essential structural constituents, and all three make up the apatite endmembers fluorapatite, chlorapatite, and hydroxylapatite, respectively. Although apatite is one of the most common phosphate minerals in meteorites and rocks from Earth, it typically occurs at minor to trace abundances. Apatite has been widely used as a mineralogical tool to probe the interiors of both differentiated and undifferentiated parent bodies for information about volatiles; however, little work has been done on apatite F, Cl, and OH abundances of apatite from primitive achondrite meteorites. There are broad differences between apatite X -site chemistry in chondrite parent bodies (typically F-poor) compared to apatite from basaltic rocks from many achondrite parent bodies (Cl-poor, apart from Mars). These differences could indicate that planetary differentiation processes, namely melting, play an important role in the evolution of apatite X -site chemistry. In fact, some ordinary chondrite meteorites that exhibit evidence of minor impact melting have apatite with X -site compositions that are much more F-rich than typical chondrite apatite. McCubbin et al., hypothesized that the F-rich compositions of the apatite in ordinary chondrites affected by impact melting could be the result of apatite partially melting, driving the residual apatite to more F-rich compositions; however, they also indicated that degassing of the more volatile Cl and H may also contribute to the F-enrichment. To further test the partial melting hypothesis, we investigate the F, Cl, and OH (by difference) abundances of apatite from primitive achondrite parent bodies given that they are thought to come from partially differentiated parent bodies that represent residues after partial melting. Consequently, their apatites could provide valuable insights into the effects of melting on apatite X -site chemistry. In this study, we report F and Cl abundances of apatite from a broad array of primitive achondrite meteorites, and we develop a model for apatite fractional melting using known apatite-melt partitioning relationships. Together, we use these results to further elucidate the role of melting on apatite X -site compositions.

F M McCubbin↗

Strategies and Technologies for In Situ Mineralogical Investigations on Mars

Surface landers on Mars (Viking and Pathfinder) have not revealed satisfying answers to the mineralogy and lithology of the planet's surface. In part, this results from their prime directives: Viking focused on exobiology, Pathfinder focused on technology demonstration. The analytical instruments on board the landers made admirable attempts to extract the mineralogy and geology of Mars, as did countless modeling efforts after the missions. Here we suggest a framework for elucidating martian, or any other planetary geology, through an approach that defines (a) type of information required, (b) explorational strategy harmonious with acquisition of these data, (c) interpretation approach to the data, (d) compatible mission architecture, (e) instrumentation for interrogating rocks and soil. (a) Data required: The composition of a planet is ordered at scales ranging from molecules to minerals to rocks, and from geological units to provinces to planetary-scale systems. The largest ordering that in situ compositional instruments can attempt to interrogate is rock type "aggregate" information. This is what the geologist attempts to identify first. From this, mineralogy can be either directly seen or inferred. From mineralogy can be determined elemental abundances and perhaps the state of the compounds as being crystalline or amorphous. Knowledge of rock type and mineralogy is critical for elucidating geologic process. Mars landers acquired extremely valuable elemental data, but attempted to move from elements to aggregates, but this can only be done by making many assumptions and sometimes giant leaps of faith. Data we believe essential are elements, minerals, degree of ordering of compounds, and the aggregate or rock type that these materials compose. (b) Explorational strategy: A lander should function as a surrogate geologist. Of the total landscape, a geologist sees much, but gives detailed attention to an infinitesimally small amount of what is seen. To acquire samples worth detailed scrutiny, as many samples as possible need examining at a cursory or reconnaissance level. A representative, statistically-meaningful sample number cannot be overemphasized. This maxim still applies to geological exploration of our own planet of which we have abundant knowledge. Analysis of many samples mandates low-power consumption per sample. (c) Data interpretation: No single instrument can analyze the full spectrum of the x-axis. An instrument is optimized for detecting certain material characteristics and must therefore affix itself to some point on the x-axis. Any conclusions drawn about data to the left or right of the instrument's position on this axis must necessarily be derived by inference. Hence, it seems logical to include on a mission, instruments that are not closely spaced in their x-axis-position, and if only two analytical methods are used, as shown, they should start at opposite ends of the axis and work towards the center. As examples, we depict a high-resolution camera to evaluate rock type ("aggregate" state) and mineralogy, and an x-ray diffractometer-fluorescence spectrometer (XRD-XRF) to determine elements, minerals, and the degree of order of materials. (d) Mission architecture: No instrument or suite of instruments can be relied upon to always give truly unequivocal analyses. The suite of instruments should therefore permit conclusions of one instrument to be checked against those of another through closed analytical loops. These "loops" can be structured by a combination of orbital imagery, descent imagery, broad-band site viewing/analysis, and data that cover both x and y axes. For example, the detection of a basaltic-looking rock with a microscope should be checked against the elements detected, the appearance of the rock as a lava flow from descent imagery, and so forth. (e) Instrumentation: To satisfy the above criteria, it is necessary to: (i) See the rock or soil with high resolution + magnification, (ii) Examine many samples, (iii) Consume little power per analysis, (iv) Determine elemental species, (v) Determine mineralogy directly (not inferentially) and the degree of ordering of compounds, (vi) Start analyzing from both ends of the x-axis. Every geologist wants to see the hand sample first, and apply a hand lens to its surface. This has not been the starting point for missions to Mars. Thus, our technology satisfies all these criteria . This XRD-XRF-Optical instrument currently being developed, analyses rock or soil surfaces without the need for sample acquisition or preparation; this satisfies the power criterion, and enables many analyses. The device acquires direct mineralogy and determines elemental species. The embedded endoscopic camera satisfies the critical criterion of close inspection of samples; the fiber optic cable can also be used for IR, LTV, or laser sample analysis. Additional information is contained in the original (Figures).

Marshall, J. R.↗

Computer simulation of ion channel gating: the M(2) channel of influenza A virus in a lipid bilayer

The transmembrane fragment of the influenza virus M(2) protein forms a homotetrameric channel that transports protons. In this paper, we use molecular dynamics simulations to help elucidate the mechanism of channel gating by four histidines that occlude the channel lumen in the closed state. We test two competing hypotheses. In the "shuttle" mechanism, the delta nitrogen atom on the extracellular side of one histidine is protonated by the incoming proton, and, subsequently, the proton on the epsilon nitrogen atom is released on the opposite side. In the "water-wire" mechanism, the gate opens because of electrostatic repulsion between four simultaneously biprotonated histidines. This allows for proton transport along the water wire that penetrates the gate. For each system, composed of the channel embedded in a hydrated phospholipid bilayer, a 1.3-ns trajectory was obtained. It is found that the states involved in the shuttle mechanism, which contain either single-protonated histidines or a mixture of single-protonated histidines plus one biprotonated residue, are stable during the simulations. Furthermore, the orientations and dynamics of water molecules near the gate are conducive to proton transfer. In contrast, the fully biprotonated state is not stable. Additional simulations show that if only two histidines are biprotonated, the channel deforms but the gate remains closed. These results support the shuttle mechanism but not the gate-opening mechanism of proton gating in M(2).

NASA Center ARC↗

Dynamics and structure of turbulent premixed flames

In earlier work (Mantel & Bilger, 1994) the structure of the turbulent premixed flame was investigated using statistics based on conditional averaging with the reaction progress variable as the conditioning variable. The DNS data base of Trouve and Poinsot (1994) was used in this investigation. Attention was focused on the conditional dissipation and conditional axial velocity in the flame with a view to modeling these quantities for use in the conditional moment closure (CMC) approach to analysis of kinetics in premixed flames (Bilger, 1993). Two remarkable findings were made: there was almost no acceleration of the axial velocity in the flame front itself; and the conditional scalar dissipation remained as high, or higher, than that found in laminar premixed flames. The first finding was surprising since in laminar flames all the fluid acceleration occurs through the flame front, and this could be expected also for turbulent premixed flames at the flamelet limit. The finding gave hope of inventing a new approach to the dynamics of turbulent premixed flames through use of rapid distortion theory or an unsteady Bernoulli equation. This could lead to a new second order closure for turbulent premixed flames. The second finding was contrary to our measurements with laser diagnostics in lean hydrocarbon flames where it is found that conditional scalar dissipation drops dramatically below that for laminar flamelets when the turbulence intensity becomes high. Such behavior was not explainable with a one-step kinetic model, even at non-unity Lewis number. It could be due to depletion of H2 from the reaction zone by preferential diffusion. The capacity of the flame to generate radicals is critically dependent on the levels of H2 present (Bilger, et al., 1991). It seemed that a DNS computation with a multistep reduced mechanism would be worthwhile if a way could be found to make this feasible. Truly innovative approaches to complex problems often come only when there is the opportunity to work close at hand with the (in this case numerical) experimental data. Not only can one spot patterns and relationships in the data which could be important, but one can also get to know the limitations of the technique being used, so that when the next experiment is being designed it will address resolvable questions. A three-year grant from the Australian Research Council has enabled us to develop a small capability at the University of Sydney to work on DNS of turbulent reacting flow, and to analyze data bases generated at CTR. Collaboration between the University of Sydney and CTR is essential to this project and finding a workable modus operandum for this collaboration, given the constraints involved, has been a major objective of the past year's effort. The overall objectives of the project are: (1) to obtain a quantitative understanding of the dynamics of turbulent premixed flames at high turbulence levels with a view to developing improved second order closure models; and (2) to carry out new DNS experiments on turbulent premixed flames using a carefully chosen multistep reduced mechanism for the chemical kinetics, with a view to elucidating the laser diagnostic findings that are contrary to the findings for DNS using one-step kinetics. In this first year the objectives have been to make the existing CTR data base more accessible to coworkers at the University of Sydney, to make progress on understanding the dynamics of the flame in this existing CTR data base, and to carefully construct a suitable multistep reduced mechanism for use in a new set of DNS experiments on turbulent premixed flames.

Bilger, R. W.↗