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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.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Integrated design and manufacturing for the high speed civil transport

In June 1992, Georgia Tech's School of Aerospace Engineering was awarded a NASA University Space Research Association (USRA) Advanced Design Program (ADP) to address 'Integrated Design and Manufacturing for the High Speed Civil Transport (HSCT)' in its graduate aerospace systems design courses. This report summarizes the results of the five courses incorporated into the Georgia Tech's USRA ADP program. It covers AE8113: Introduction to Concurrent Engineering, AE4360: Introduction to CAE/CAD, AE4353: Design for Life Cycle Cost, AE6351: Aerospace Systems Design One, and AE6352: Aerospace Systems Design Two. AE8113: Introduction to Concurrent Engineering was an introductory course addressing the basic principles of concurrent engineering (CE) or integrated product development (IPD). The design of a total system was not the objective of this course. The goal was to understand and define the 'up-front' customer requirements, their decomposition, and determine the value objectives for a complex product, such as the high speed civil transport (HSCT). A generic CE methodology developed at Georgia Tech was used for this purpose. AE4353: Design for Life Cycle Cost addressed the basic economic issues for an HSCT using a robust design technique, Taguchi's parameter design optimization method (PDOM). An HSCT economic sensitivity assessment was conducted using a Taguchi PDOM approach to address the robustness of the basic HSCT design. AE4360: Introduction to CAE/CAD permitted students to develop and utilize CAE/CAD/CAM knowledge and skills using CATIA and CADAM as the basic geometric tools. AE6351: Aerospace Systems Design One focused on the conceptual design refinement of a baseline HSCT configuration as defined by Boeing, Douglas, and NASA in their system studies. It required the use of NASA's synthesis codes FLOPS and ACSYNT. A criterion called the productivity index (P.I.) was used to evaluate disciplinary sensitivities and provide refinements of the baseline HSCT configuration. AE6352: Aerospace Systems Design Two was a continuation of Aerospace Systems Design One in which wing concepts were researched and analyzed in more detail. FLOPS and ACSYNT were again used at the system level while other off-the-shelf computer codes were used for more detailed wing disciplinary analysis and optimization. The culmination of all efforts and submission of this report conclude the first year's efforts of Georgia Tech's NASA USRA ADP. It will hopefully provide the foundation for next year's efforts concerning continuous improvement of integrated design and manufacturing for the HSCT.

Source record↗
NASA NTRS2000

Modeling Stratospheric Constituents: Reactive Species That Regulate Ozone

Photochemical loss of stratospheric ozone occurs primarily by catalytic cycles whose rates are limited by the concentration of OH, HO2, NO2, ClO, and/or BrO as well as the concentration of either atomic oxygen or of ozone itself. Once the concentrations of these gases are established, the photochemical loss rate of O3 depends on the rate coefficient of only a handful of key reactions. We have developed a method for testing our understanding of stratospheric ozone photochemistry by comparing measured and modeled concentrations of reactive hydrogen, nitrogen, chlorine and bromine radicals using a photochemical steady state model constrained by observed concentrations of long-lived precursors (e.g., NO(y), Cl(y), Br(y), O3, H2O, CH4) and environmental parameters such as ozone column, reflectivity, and aerosol surface area. We will show based on analyses of observations obtained by aircraft, balloon, and satellite platforms during the POLARIS campaign that our overall understanding of the processes that regulate these radical species is very good. The most notable current discrepancies are the tendency to underestimate observed NO2 by 15 to 30% for air masses that experience near continuous solar illumination over a 24 hour period and the tendency to underestimate observed OH and H02 by about 10 to 20% during midday and by much larger amounts at high solar zenith angle (SZA > 85). Possible resolutions to these discrepancies will be discussed. This study was carried out in close collaboration with many members of the POLARIS science team.

Salawitch, Ross J.↗
NASA NTRS1993

bpshape wk4: a computer program that implements a physiological model for analyzing the shape of blood pressure waveforms

We describe the theory and computer implementation of a newly-derived mathematical model for analyzing the shape of blood pressure waveforms. Input to the program consists of an ECG signal, plus a single continuous channel of peripheral blood pressure, which is often obtained invasively from an indwelling catheter during intensive-care monitoring or non-invasively from a tonometer. Output from the program includes a set of parameter estimates, made for every heart beat. Parameters of the model can be interpreted in terms of the capacitance of large arteries, the capacitance of peripheral arteries, the inertance of blood flow, the peripheral resistance, and arterial pressure due to basal vascular tone. Aortic flow due to contraction of the left ventricle is represented by a forcing function in the form of a descending ramp, the area under which represents the stroke volume. Differential equations describing the model are solved by the method of Laplace transforms, permitting rapid parameter estimation by the Levenberg-Marquardt algorithm. Parameter estimates and their confidence intervals are given in six examples, which are chosen to represent a variety of pressure waveforms that are observed during intensive-care monitoring. The examples demonstrate that some of the parameters may fluctuate markedly from beat to beat. Our program will find application in projects that are intended to correlate the details of the blood pressure waveform with other physiological variables, pathological conditions, and the effects of interventions.

Non-NASA Center↗
NASA NTRS1999

Optimal Scales for Comparing Satellite and Rain-Gauge Rainfall Estimates for Verification Purposes

In spite of all their problems, rain gauges measure rainfall in such a direct way when compared with other methods of estimating rainfall that comparing their totals to satellite estimates remains an essential tool in the validation of satellite products. Some disagreement between averages of satellite data and rain-gauge data is expected because of the very different sampling patterns of the two systems--the satellite provides only occasional snapshots of large areas, whereas rain gauges provide continuous measurements over very small areas. The comparison of the two requires that some quantitative measure be supplied for the amount of disagreement that can be tolerated due to the differences in sampling. As part of an effort to determine the sampling error of satellite averages, a space-time model for rainfall statistics was developed and its parameters fit to radar data from a field experiment conducted near the Inter-Tropical Convergence Zone (ITCZ) in the eastern Atlantic (GATE). Although the model was intended to represent the statistics of relatively large scale fluctuations of rain, it is surprisingly consistent with the very different scales on which rain gauges observe. It can therefore be used to study some of the issues involved with comparing rain-gauge averages to satellite averages. Its implications for the best time and space scales for comparing the two will be discussed.

Bell, Thomas L.↗
NASA NTRS2015

Lumped Parameter Models of the Central Nervous System for VIIP Research

INTRODUCTION: Current long-duration missions to the International Space Station and future exploration-class missions beyond low-Earth orbit, such as to Mars and asteroids, expose astronauts to increased risk of Visual Impairment and Intracranial Pressure (VIIP) syndrome [1]. It has been hypothesized that the headward shift of cerebral spinal fluid (CSF) and blood in microgravity may cause significant elevation of intracranial pressure (ICP), which in turn induces VIIP syndrome through biomechanical pathways [1, 2]. However, there is insufficient evidence to confirm this hypothesis. In this light, we are developing lumped-parameter models of fluid transport in the central nervous system (CNS) as a means to simulate the influence of microgravity on ICP. The CNS models will also be used in concert with the lumped parameter and finite element models of the eye described in the realted IWS abstracts submitted by Nelson et al., Feola et al. and Ethier et al. METHODS: We have developed a nine compartment CNS model (Figure 1) capable of both time-dependent and steady state fluid transport simulations, based on the works of Stevens et al. [3]. The breakdown of compartments within the model includes: vascular (3), CSF (2), brain (1) and extracranial (3). The boundary pressure in the Central Arteries [A] node is prescribed using an oscillating pressure function PA(t) simulating the carotid pulsatile pressure wave as developed by Linninger et al. [4]. For each time step, pressures are integrated through time using an adaptive-timestep 4th and 5th order Runga-Kutta solver. Once pressures are found, constitutive equations are used to solve for flowrates (Q) between each compartment. In addition to fluid flow between the different compartments, compliance (C) interactions between neighboring compartments are represented. We are also developing a second CNS model based on the works of Linninger et al. [4] which takes a more granular approach to represent the interactions of the intracranial and spinal compartments with the inclusion of arteries, arterioles, capillaries, venules, veins, venous sinus, and ventricles. The flow through the arteries, veins and CSF compartments are governed by continuity, momentum and distensibility balance equations. Furthermore, unlike the Stevens et al. approach, the Monro-Kellie doctrine of constant cranial volume and the bi-phasic nature of the brain parenchyma are implemented. These features appear to be more consistent with the physiologic and anatomical behavior of the CNS, and follow a modeling philosophy similar to the lumped parameter eye model that is intended to be integrated with the CNS model. However, Linninger’s approach has never been implemented to include hydrostatic gradient and microgravity simulation capabilities. Therefore, we aim at implement this modeling approach for spaceflight simulations and assess its overall applicability to VIIP research. OBJECTIVES: We will present verification and validation test results for both models, as well as head-to-head comparison to explore their strengths and limitations with respect to mathematical implementation and physiological significance for VIIP research. In doing so, we hope to provide some guidance to the HRP research community on how to appropriately leverage lumped parameter models for space biomedical research.

Vera, J.↗
NASA NTRS2009

General Purpose Data-Driven Monitoring for Space Operations

As modern space propulsion and exploration systems improve in capability and efficiency, their designs are becoming increasingly sophisticated and complex. Determining the health state of these systems, using traditional parameter limit checking, model-based, or rule-based methods, is becoming more difficult as the number of sensors and component interactions grow. Data-driven monitoring techniques have been developed to address these issues by analyzing system operations data to automatically characterize normal system behavior. System health can be monitored by comparing real-time operating data with these nominal characterizations, providing detection of anomalous data signatures indicative of system faults or failures. The Inductive Monitoring System (IMS) is a data-driven system health monitoring software tool that has been successfully applied to several aerospace applications. IMS uses a data mining technique called clustering to analyze archived system data and characterize normal interactions between parameters. The scope of IMS based data-driven monitoring applications continues to expand with current development activities. Successful IMS deployment in the International Space Station (ISS) flight control room to monitor ISS attitude control systems has led to applications in other ISS flight control disciplines, such as thermal control. It has also generated interest in data-driven monitoring capability for Constellation, NASA's program to replace the Space Shuttle with new launch vehicles and spacecraft capable of returning astronauts to the moon, and then on to Mars. Several projects are currently underway to evaluate and mature the IMS technology and complementary tools for use in the Constellation program. These include an experiment on board the Air Force TacSat-3 satellite, and ground systems monitoring for NASA's Ares I-X and Ares I launch vehicles. The TacSat-3 Vehicle System Management (TVSM) project is a software experiment to integrate fault and anomaly detection algorithms and diagnosis tools with executive and adaptive planning functions contained in the flight software on-board the Air Force Research Laboratory TacSat-3 satellite. The TVSM software package will be uploaded after launch to monitor spacecraft subsystems such as power and guidance, navigation, and control (GN&C). It will analyze data in real-time to demonstrate detection of faults and unusual conditions, diagnose problems, and react to threats to spacecraft health and mission goals. The experiment will demonstrate the feasibility and effectiveness of integrated system health management (ISHM) technologies with both ground and on-board experiments.

Iverson, David L.↗
NASA NTRS1978

Recent advances in thermal-structural analysis and design

A continuing effort to develop a comprehensive capability for thermal-structural analysis and automated design (sizing) is reviewed. A principal role in the activity is played by the finite element program SPAR which contains both an efficient structural and thermal analysis capability. The benefit of having thermal and structural analyses in the same finite element program is illustrated by the application of SPAR to design calculations for the National Transonic Facility - a cryogenic wind tunnel under construction at Langley. Some experience with large-scale thermal structural analysis problems, particularly the space shuttle orbiter, has led to the identification of some analysis needs. Those needs include automated model generation and data output for lumped parameter thermal analysis, faster solution methods for nonlinear transient heat transfer, automated interpolation of temperature data from a thermal finite element model to a dissimilar structural finite model, and automated techniques to identify the times at which the critical combinations of transient heating and loads occur on a structure.

Adelman, H. M.↗
NASA NTRS2004

The Processing of Airspace Concept Evaluations Using FASTE-CNS as a Pre- or Post-Simulation CNS Analysis Tool

As NASA speculates on and explores the future of aviation, the technological and physical aspects of our environment increasing become hurdles that must be overcome for success. Research into methods for overcoming some of these selected hurdles have been purposed by several NASA research partners as concepts. The task of establishing a common evaluation environment was placed on NASA's Virtual Airspace Simulation Technologies (VAST) project (sub-project of VAMS), and they responded with the development of the Airspace Concept Evaluation System (ACES). As one examines the ACES environment from a communication, navigation or surveillance (CNS) perspective, the simulation parameters are built with assumed perfection in the transactions associated with CNS. To truly evaluate these concepts in a realistic sense, the contributions/effects of CNS must be part of the ACES. NASA Glenn Research Center (GRC) has supported the Virtual Airspace Modeling and Simulation (VAMS) project through the continued development of CNS models and analysis capabilities which supports the ACES environment. NASA GRC initiated the development a communications traffic loading analysis tool, called the Future Aeronautical Sub-network Traffic Emulator for Communications, Navigation and Surveillance (FASTE-CNS), as part of this support. This tool allows for forecasting of communications load with the understanding that, there is no single, common source for loading models used to evaluate the existing and planned communications channels; and that, consensus and accuracy in the traffic load models is a very important input to the decisions being made on the acceptability of communication techniques used to fulfill the aeronautical requirements. Leveraging off the existing capabilities of the FASTE-CNS tool, GRC has called for FASTE-CNS to have the functionality to pre- and post-process the simulation runs of ACES to report on instances when traffic density, frequency congestion or aircraft spacing/distance violations have occurred. The integration of these functions require that the CNS models used to characterize these avionic system be of higher fidelity and better consistency then is present in FASTE-CNS system. This presentation will explore the capabilities of FASTE-CNS with renewed emphasis on the enhancements being added to perform these processing functions; the fidelity and reliability of CNS models necessary to make the enhancements work; and the benchmarking of FASTE-CNS results to improve confidence for the results of the new processing capabilities.

Mainger, Steve↗
DOE OSTI2025

Laser Powder Bed Fusion Additive Manufacture Nb1Zr Development

Next generation fission and fusion nuclear reactors require materials that can withstand operating temperatures greater than 500 °C, neutron irradiation doses of up to 200 displacements per atom (dpa), and potentially corrosive coolants such as the alkali liquid metals sodium, lithium, and NaK (Na33K eutectic alloy). Refractory alloys, such as Nb1Zr (Nb-1wt%Zr) and Molybdenum alloy TZM (Mo-0.5wt%Ti-0.08wt%Zr) have been traditionally considered viable candidates for advanced fission and fusion reactor concepts. However, it is relatively difficult to generate complex geometries of interest from these alloys using traditional manufacturing methods. In addition, there needs to be a concentrated effort to address refractory metal challenges at elevated temperature operation. In order to generate complex geometries of interest, modern manufacturing techniques are considered to increase the technological readiness level (TRL), cost-effectiveness, and schedule savings. This work focused on the continued development of laser powder bed fusion (L-PBF) additive manufacturing (AM) to improve both design flexibility, evaluate microstructure and properties, and ultimately accelerate the TRL and qualification of these processes and alloys for components to potentially be put into service. Niobium alloy Nb1Zr was identified through a down-selection process outlined in previous reports as a candidate to develop in L-PBF AM. Historically, Nb1Zr had been explored for high temperature fast spectrum fission reactors for both terrestrial and space applications. Molybdenum alloy TZM has also been considered for these reactor concepts due to exceptional high-temperature strength, creep resistance, and stability under irradiation. L-PBF AM of TZM has previously been investigated at LANL under the Microreactor program, NASA, ORNL, and in academia. However, due to the crack prone nature of TZM, L-PBF AM of TZM resulted in significant microcracking and additional development is required to pursue viable maturation. Other AM methods have been found to be more successful in printing TZM, and those alternatives approaches are discussed in this effort. The efforts detailed in this report focused on continued development of Nb1Zr through L-PBF and development of TZM via L-PBF and electron powder bed fusion (E-PBF). The objective of this work was to further the development of these AM techniques for the chosen refractory alloys, elucidating and addressing associated challenges through characterization of several demonstration builds. At LANL, Nb1Zr builds were completed using an EOS M290 and M400 machines, and a refractory alloy-dedicated L-PBF system, the Xact Metal XM200G, was installed. The XM200G primary purpose was to do the Nb1Zr parameter development process; however, due to difficulties associated with the machine installation and qualification process, it was decided to pivot development to the larger M400 and M290 machines. Although the supply of Nb1Zr powder was limited, it was sufficient to generate sub-scale metallographic specimens for the purpose of parameter development. This was first accomplished on the EOS M400 then the M290 due to machine schedule availability. Further development of TZM has been initiated at the University of Texas El Paso (UTEP) under contract with LANL to use both a heated build envelope L-PBF machine and E-PBF machine that have been found in the literature to mitigate microcracking. UTEP was provided with TZM powder and build plates to support parallel TZM parameter development across both machines. As part of the contract, UTEP will also be conducting microstructural characterization once optimized process parameters have been identified. The optimized process parameters for each machine will be used to generate a series of metallographic, mechanical, and surface finish specimens for subsequent characterization and testing. In the next section, we provide a detailed discussion of the methodology used for investigating the feasibility of leveraging these alloys for use in advanced reactor applications.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Hematologic responses to hypobaric hyperoxia.

Study of the effects of hypoxia, activity, and G forces on human hematopoiesis in an attempt to elucidate these phenomena more precisely. Eight subjects were exposed to an atmosphere of 100% O2 at 258 mm Hg for 30 days, and thereafter immediately exposed to transverse G forces, simulating the Gemini flights' reentry profile. All subjects displayed a significant continuous decline in red cell mass during the exposure period, as measured by the carbon monoxide-dilution method. The Cr51 method also indicated a decline in red blood corpuscle mass. The decrease in red cell mass was due to suppression of erythropoiesis and to hemolysis. After exposure to hyperoxia, all subjects exhibited elevated plasma hemoglobin levels, decreased reticulocyte counts, and decreased red cell survivals. CO production rates and urine erythropoietin levels were unchanged. Two hours after termination of exposure to hyperoxia, all subjects exhibited increased reticulocyte counts which were sustained for longer than two weeks. The progressive decrease in red cell mass was promptly arrested on return to ground level atmospheres. Within 116 days after exposure to hyperoxia, the hematologic parameters of all eight subjects had returned to control levels.

Larkin, E. C.↗
NASA NTRS2000

A New Local Debonding Model with Application to the Transverse Tensile and Creep Behavior of Continuously Reinforced Titanium Composites

A new, widely applicable model for local interfacial debonding in composite materials is presented. Unlike its direct predecessors, the new model allows debonding to progress via unloading of interfacial stresses even as global loading of the composite continues. Previous debonding models employed for analysis of titanium matrix composites are surpassed by the accuracy, simplicity, and efficiency demonstrated by the new model. The new model was designed to operate seamlessly within NASA Glenn's Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC), which was employed to simulate the time- and rate-dependent (viscoplastic) transverse tensile and creep behavior of SiC/Ti composites. MAC/GMC's ability to simulate the transverse behavior of titanium matrix composites has been significantly improved by the new debonding model. Further, results indicate the need for a more accurate constitutive representation of the titanium matrix behavior in order to enable predictions of the composite transverse response, without resorting to recalibration of the debonding model parameters.

Bednarcyk, Brett A.↗
NASA NTRS2007

Method and apparatus for in-situ detection and isolation of aircraft engine faults

A method for performing a fault estimation based on residuals of detected signals includes determining an operating regime based on a plurality of parameters, extracting predetermined noise standard deviations of the residuals corresponding to the operating regime and scaling the residuals, calculating a magnitude of a measurement vector of the scaled residuals and comparing the magnitude to a decision threshold value, extracting an average, or mean direction and a fault level mapping for each of a plurality of fault types, based on the operating regime, calculating a projection of the measurement vector onto the average direction of each of the plurality of fault types, determining a fault type based on which projection is maximum, and mapping the projection to a continuous-valued fault level using a lookup table.

Bonanni, Pierino Gianni↗
DOE OSTI2024

Continuous integration data-driven platform of industrial-scale subsurface storage for real-time analytics

This project helped address the growing need for efficient and scalable models to support geological carbon and energy storage, which are crucial for achieving net-zero emissions. Traditionally accurate high-fidelity numerical models have been used to simulate relevant storage processes under a handful of processes, however such models are computationally demanding, making uncertainty quantification impractical. Consequently, we first developed a machine learning framework, based on Graph Neural Operators (GNOs), to improving the accuracy of model predictions for a fixed computational budget. We then developed an Ensemble of Improved Neural Operators (ENO), which uses bagging and Monte Carlo dropout techniques, to further improve prediction accuracy. Lastly, we developed the way to explain progressive transfer learning methods to reduce the amount of training data and computational cost of training (i.e., reduce trainable parameters) when using our models for multiple storage sites. Our numerical investigation, which used real-world case studies, demonstrated that our framework can significantly improve the safety and efficiency of geological storage operations, with potential applications in other domains such as geothermal reservoirs and climate modeling.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Automation of surface observations program

At present, surface weather observing methods are still largely manual and labor intensive. Through the nationwide implementation of Automated Surface Observing Systems (ASOS), this situation can be improved. Two ASOS capability levels are planned. The first is a basic-level system which will automatically observe the weather parameters essential for aviation operations and will operate either with or without supplemental contributions by an observer. The second is a more fully automated, stand-alone system which will observe and report the full range of weather parameters and will operate primarily in the unattended mode. Approximately 250 systems are planned by the end of the decade. When deployed, these systems will generate the standard hourly and special long-line transmitted weather observations, as well as provide continuous weather information direct to airport users. Specific ASOS configurations will vary depending upon whether the operation is unattended, minimally attended, or fully attended. The major functions of ASOS are data collection, data processing, product distribution, and system control. The program phases of development, demonstration, production system acquisition, and operational implementation are described.

Short, Steve E.↗
NASA NTRS2002

Optimal Strategies for Validating TRMM Rainfall Estimates with Rain-Gauge Data

In spite of all their problems, rain gauges measure rainfall in such a direct way when compared with other methods of estimating rainfall that comparing their totals to satellite estimates remains an essential tool in the validation of satellite products. Some disagreement between averages of satellite data and rain-gauge data is expected because of the very different sampling patterns of the two systems--the satellite provides only occasional snapshots of large areas, whereas rain gauges provide continuous measurements over very small areas. A quantitative estimate of the expected level of disagreement due to the differences in sampling is needed in order for comparisons of the two kinds of averages to be informative. As part of an earlier effort to determine the sampling error of satellite averages, a space-time model for rainfall statistics was developed. Sets of parameter values for the model have been obtained for which the model statistics are found to agree quite well with those of radar data taken over the Atlantic during GATE and the western Pacific during TOGA COARE. Although the model was intended to represent the statistics of relatively large scale fluctuations of rain, it is surprisingly consistent with the very different scales on which rain gauges observe. Implications for maximizing the benefit in comparisons of rain gauge averages and TRMM estimates are derived using the model predictions.

Bell, Thomas L.↗
NASA NTRS2004

Defining Exercise Performance Metrics for Flight Hardware Development

The space industry has prevailed over numerous design challenges in the spirit of exploration. Manned space flight entails creating products for use by humans and the Johnson Space Center has pioneered this effort as NASA's center for manned space flight. NASA Astronauts use a suite of flight exercise hardware to maintain strength for extravehicular activities and to minimize losses in muscle mass and bone mineral density. With a cycle ergometer, treadmill, and the Resistive Exercise Device available on the International Space Station (ISS), the Space Medicine community aspires to reproduce physical loading schemes that match exercise performance in Earth s gravity. The resistive exercise device presents the greatest challenge with the duty of accommodating 20 different exercises and many variations on the core set of exercises. This paper presents a methodology for capturing engineering parameters that can quantify proper resistive exercise performance techniques. For each specified exercise, the method provides engineering parameters on hand spacing, foot spacing, and positions of the point of load application at the starting point, midpoint, and end point of the exercise. As humans vary in height and fitness levels, the methodology presents values as ranges. In addition, this method shows engineers the proper load application regions on the human body. The methodology applies to resistive exercise in general and is in use for the current development of a Resistive Exercise Device. Exercise hardware systems must remain available for use and conducive to proper exercise performance as a contributor to mission success. The astronauts depend on exercise hardware to support extended stays aboard the ISS. Future plans towards exploration of Mars and beyond acknowledge the necessity of exercise. Continuous improvement in technology and our understanding of human health maintenance in space will allow us to support the exploration of Mars and the future of space exploration.

Beyene, Nahon M.↗
NASA NTRS2005

Optimization of Polycyclic Aromatic Hydrocarbon (PAH) Extraction Efficiency Parameters for Sub- and Supercritical Water Extraction (SCWE) Instrument

Polycyclic aromatic hydrocarbons are a class of molecules composed of multiple, bonded benzene rings. As PAHS are believed to be present on Mars, positive confirmation of their presence on Mars is highly desirable. To extract PAHS, which have low volatility, a fluid extraction method is ideal, and one that does not utilize organic solvents is especially ideal for in situ instrumental analysis. The use of water as a solvent, which at subcritical pressures and temperatures is relatively non-Polar, has significant potential. As SCWE instruments have not yet been commercialized, all instruments are individually-built research prototypes: thus, initial efforts were intended to determine if extraction efficiencies on the JPL-built laboratory-scale SCWE instrument are comparable to differing designs built elsewhere. Samples of soil with certified reference concentrations of PAHs were extracted using SCWE as well as conventional Soxhlet extraction. Continuation of the work would involve extractions on JPL'S newer, portable SCWE instrument prototype to determine its efficiency in extracting PAHs.

Okada, Asahi A.↗
DOE OSTI2025

Computational alchemy clarifies origins of alloy strengthening

Solid solution strengthening (SSS) is widely used to enhance mechanical properties of metals. Originally developed for dilute alloys, classical SSS theories are presently challenged by the rise of complex concentrated alloys (CCA) with nearly equiatomic compositions. Here, we propose and develop a method of “computational alchemy” in which interatomic interactions are modified to systematically vary two key physical parameters defining SSS - atomic size misfit and elastic stiffness misfit - over a maximally wide range of two misfits. The resulting alchemical alloys are subjected to massive (~10 8 atoms) molecular dynamics (MD) simulations reproducing full complexity of plastic strength response. At variance with prevailing views, stiffness misfit is observed to contribute to SSS on par if not more than size misfit. Furthermore, depending on exactly how two misfits are combined, they result in synergistic (amplification) or antagonistic (compensation) effect on alloy strengthening. Unlike real CCAs in which each component element comes with its own specific size and stiffness, our alchemical model alloys span the space of two misfits continuously revealing trends in alloy strengthening unrecognized so far. Our study demonstrates unique value of intentionally unrealistic models for gaining deep physical insights into material behaviors that are difficult to reveal otherwise.

36 MATERIALS SCIENCE↗