Results for “Temperature Design Methodology” — Page 17

NASA NTRS2022

Ruggedness Evaluation of ASTM International Standard Test Methods for Shape Memory Materials: E3097 Standard Test Method for Mechanical Uniaxial Constant Force Thermal Cycling of Shape Memory Alloys

This paper evaluates the ruggedness testing of the newly released ASTM International E3097 Standard Test Method for Mechanical Uniaxial Constant Force Thermal Cycling of Shape Memory Alloys. The ruggedness experiment was designed with eight runs in two replicates, consisting of seven factors of strain rate (ė), heating and cooling rates (Ṫ(heat) and Ṫ(cool), respectively), upper and lower cycle temperatures (UCT and LCT, respectively), hold time (thold), and minimum load (Fmin) imparted on the samples. The results indicate that the hold time factor had no effect on any result variable. The minimum load factor, alternatively, had the greatest effect on several result variables, with the greatest influence on the strains at martensite start and finish (strain variation ~0.1 percent), and the strains at the upper and lower cycle temperatures (strain variation of 0.14 percent). The UCT was found to have a large effect on the austenite and martensite finish tangent line and data intersect, denoted by Af* and Mf*, by ~17 and 4 °C, respectively. The testing methodology, analysis techniques, and resulting conclusions on the ruggedness of the test methods are presented.

shape memory alloy↗

NASA NTRS2014

Aircraft Trajectory Design Based on Reducing the Combined Effects of Carbon-di-oxide, Nitrogen and Contrails

Aircraft operations need to meet the combined requirements of safety, efficiency, capacity and reduced environmental impact. Aircraft routes can be made efficient by flying wind optimal routes. However, the desire to reduce the impact of aviation emissions and contrails may result in trajectories, which deviate from wind optimal trajectories leading to extra fuel use. The lifetime associated with different emissions and contrails varies from a few hours to several hundred years. The impact of certain gases depends on the amount and location of the emission, and the decision-making horizon, in years, when the impact is estimated. The Absolute Global Temperature Potential (AGTP) is used as a metric to measure the combined effects of emissions and contrails. This paper extends earlier work by the authors to include the effect of oxides of nitrogen in the development of aircraft trajectories to reduce the combined effects of carbon dioxide, oxides of nitrogen (NOX) and contrails. The methodology is applied to air traffic in the continental US. The paper shows the trade-offs between reducing emissions and the cost of extra fuel using a fuel sensitivity index, defined as the reduction in AGTP per kg of fuel. The paper shows the performance of the optimization strategy for decision intervals of 10, 25 and 100 years. Based on the simplified models, the inclusion of NOX emissions has a slight influence on the minimal climate impact trajectories when the decision horizons are around 25 years.

Sridhar, Banavar↗

NASA NTRS2004

Processing Robustness for A Phenylethynyl Terminated Polyimide Composite

The processability of a phenylethynyl terminated imide resin matrix (designated as PETI-5) composite is investigated. Unidirectional prepregs are made by coating an N-methylpyrrolidone solution of the amide acid oligomer (designated as PETAA-5/NMP) onto unsized IM7 fibers. Two batches of prepregs are used: one is made by NASA in-house, and the other is from an industrial source. The composite processing robustness is investigated with respect to the prepreg shelf life, the effect of B-staging conditions, and the optimal processing window. Prepreg rheology and open hole compression (OHC) strengths are found not to be affected by prolonged (i.e., up to 60 days) ambient storage. Rheological measurements indicate that the PETAA-5/NMP processability is only slightly affected over a wide range of B-stage temperatures from 250 deg C to 300 deg C. The OHC strength values are statistically indistinguishable among laminates consolidated using various B-staging conditions. An optimal processing window is established by means of the response surface methodology. IM7/PETAA-5/NMP prepreg is more sensitive to consolidation temperature than to pressure. A good consolidation is achievable at 371 deg C (700 deg F)/100 Psi, which yields an RT OHC strength of 62 Ksi. However, processability declines dramatically at temperatures below 350 deg C (662 deg F), as evidenced by the OHC strength values. The processability of the IM7/LARC(TM) PETI-5 prepreg was found to be robust.

Hou, Tan-Hung↗

NASA NTRS1997

Design and Fabrication of a Dielectric Total Internal Reflecting Solar Concentrator and Associated Flux Extractor for Extreme High Temperature (2500K) Applications

The Analex Corporation, under contract to the NASA Lewis Research Center (LeRC), Cleveland, Ohio, recently evaluated the feasibility of utilizing refractive secondary concentrators for solar heat receivers operating at temperatures up to 2500K. The feasibility study pointed out a number of significant advantages provided by solid single crystal refractive devices over the more conventional hollow reflective compound parabolic concentrators (CPCs). In addition to the advantages of higher concentration ratio and efficiency, the refractive concentrator, when combined with a flux extractor rod, provides for flux tailoring within the heat receiver cavity. This is a highly desirable, almost mandatory, feature for solar thermal propulsion engine designs presently being considered for NASA and Air Force thermal applications. Following the feasibility evaluation, the NASA-LeRC, NASA-Marshall Space Flight Center (MSFC), and Analex Corporation teamed up to design, fabricate, and test a refractive secondary concentrator/flux extractor system for potential use in the NASA-MSFC "Shooting Star" flight experiment. This paper describes the advantages and technical challenges associated with the design methodologies developed and utilized and the material and fabrication limitations encountered.

Soules, Jack A.↗

NASA NTRSDate not supplied

Validation of CFD Model Prediction of Flow Boiling Regime Transitions during LN2 Line Chilldown

Propellant storage and transfer during future long-duration missions will involve fuel depot operations in which a donor depot tank is used to fill a receiver spacecraft tank with a cryogenic propellant. Prior to the on-Orbit filling operation both the receiver tank and the transfer line must be cooled. The line chilldown process involves transition between boiling regimes in microgravity that will be quite different from their 1g ground-based counterparts. Since the cryogenic propellant itself will be used to perform the chilldown process, the time constants to cool the wall and the amount of fuel that will be used become important design considerations. In this light, the focus of the present work is to understand the flow boiling characteristics of a cryogenic fluid, namely, liquid nitrogen, during the chill-down of a transfer line using CFD modelling and simulations. The cryogenic chill-down process involves different flow boiling regimes: film boiling, transition boiling and nucleate boiling. The prediction of transition between these regimes in a CFD framework is new and challenging. The present work addresses this challenge by employing a volume-of-fluid (VOF) based methodology with Lee phase change model to predict the film boiling regime of the chill-down process in ANSYS Fluent®. The transition and nucleate boiling regimes are predicted by incorporating a sub-grid model developed by Craft Tech that accounts for bubble nucleation, growth, shedding frequency, and departure diameter. The sub-grid model is implemented into Fluent via a user-defined function for wall-fluid heat flux calculations. The sub-grid model is similar in formulation to the well-known Rensselaer Polytechnic Institute (RPI) boiling model. The model constants are tested for different operating conditions and designated values are reported. The CFD model is validated against published experimental data for liquid nitrogen chill-down of a heated stainless-steel pipe in 1g. Predicted results showing good agreement of wall temperature, rewetting temperature, and transition between film and nucleate boiling with the experimental measurements are presented and discussed.

Boiling regimes↗

NASA NTRS2009

Measuring the Photocatalytic Breakdown of Crystal Violet Dye using a Light Emitting Diode Approach

A simple method to estimate the photocatalytic reactivity performance of spray-on titanium dioxide coatings for transmissive glass surfaces was developed. This novel technique provides a standardized method to evaluate the efficiency of photocatalytic material systems over a variety of illumination levels. To date, photocatalysis assessments have generally been conducted using mercury black light lamps. Illumination levels for these types of lamps are difficult to vary, consequently limiting their use for assessing material performance under a diverse range of simulated environmental conditions. This new technique uses an ultraviolet (UV) gallium nitride (GaN) light emitting diode (LED) array instead of a traditional black light to initiate and sustain photocatalytic breakdown. This method was tested with a UV-resistant dye (crystal violet) applied to a titanium dioxide coated glass slide. Experimental control is accomplished by applying crystal violet to both titanium dioxide coated slides and uncoated control slides. A slide is illuminated by the UV LED array, at various light levels representative of outdoor and indoor conditions, from the dye side of the slide. To monitor degradation of the dye over time, a temperature-stabilized white light LED, whose emission spectrum overlaps with the dye absorption spectrum, is used to illuminate the opposite side of the slide. Using a spectrometer, the amount of light from the white light LED transmitted through the slide as the dye degrades is monitored as a function of wavelength and time and is subsequently analyzed. In this way, the rate of degradation for photocatalytically coated versus uncoated slide surfaces can be compared. Results demonstrate that the dye absorption decreased much more rapidly on the photocatalytically coated slides than on the control uncoated slides, and that dye degradation is dependent on illumination level. For photocatalytic activity assessment purposes, this experimental configuration and methodology minimizes many external variable effects and enables small changes in absorption to be measured. This research also compares the advantages of this innovative LED light source design over traditional mercury black light systems and non- LED lamp approaches. This novel technology begins to address the growing need for a standard method that can assess the performance of photocatalytic materials before deployment for large scale, real world use.

Ryan, Robert E.↗

NASA NTRS2012

Materials Selection for Aerospace Systems

A systematic design-oriented, five-step approach to material selection is described: 1) establishing design requirements, 2) material screening, 3) ranking, 4) researching specific candidates and 5) applying specific cultural constraints to the selection process. At the core of this approach is the definition performance indices (i.e., particular combinations of material properties that embody the performance of a given component) in conjunction with material property charts. These material selection charts, which plot one property against another, are introduced and shown to provide a powerful graphical environment wherein one can apply and analyze quantitative selection criteria, such as those captured in performance indices, and make trade-offs between conflicting objectives. Finding a material with a high value of these indices maximizes the performance of the component. Two specific examples pertaining to aerospace (engine blades and pressure vessels) are examined, both at room temperature and elevated temperature (where time-dependent effects are important) to demonstrate the methodology. The discussion then turns to engineered/hybrid materials and how these can be effectively tailored to fill in holes in the material property space, so as to enable innovation and increases in performance as compared to monolithic materials. Finally, a brief discussion is presented on managing the data needed for materials selection, including collection, analysis, deployment, and maintenance issues.

Arnold, Steven M.↗

NASA NTRS2013

Variable Conductance Heat Pipe Cooling of Stirling Convertor and General Purpose Heat Source

In a Stirling Radioisotope Power System (RPS), heat must be continuously removed from the General Purpose Heat Source (GPHS) modules to maintain the modules and surrounding insulation at acceptable temperatures. The Stirling convertor normally provides this cooling. If the Stirling convertor stops in the current system, the insulation is designed to spoil, preventing damage to the GPHS at the cost of an early termination of the mission. An alkali-metal Variable Conductance Heat Pipe (VCHP) can be used to passively allow multiple stops and restarts of the Stirling convertor. In a previous NASA SBIR Program, Advanced Cooling Technologies, Inc. (ACT) developed a series of sodium VCHPs as backup cooling systems for Stirling RPS. The operation of these VCHPs was demonstrated using Stirling heater head simulators and GPHS simulators. In the most recent effort, a sodium VCHP with a stainless steel envelope was designed, fabricated and tested at NASA Glenn Research Center (GRC) with a Stirling convertor for two concepts; one for the Advanced Stirling Radioisotope Generator (ASRG) back up cooling system and one for the Long-lived Venus Lander thermal management system. The VCHP is designed to activate and remove heat from the stopped convertor at a 19 degC temperature increase from the nominal vapor temperature. The 19 degC temperature increase from nominal is low enough to avoid risking standard ASRG operation and spoiling of the Multi-Layer Insulation (MLI). In addition, the same backup cooling system can be applied to the Stirling convertor used for the refrigeration system of the Long-lived Venus Lander. The VCHP will allow the refrigeration system to: 1) rest during transit at a lower temperature than nominal; 2) pre-cool the modules to an even lower temperature before the entry in Venus atmosphere; 3) work at nominal temperature on Venus surface; 4) briefly stop multiple times on the Venus surface to allow scientific measurements. This paper presents the experimental results from integrating the VCHP with an operating Stirling convertor and describes the methodology used to achieve their successful combined operation.

Stirling Radioisotope Power System↗

NASA NTRS2013

Alkali Metal Backup Cooling for Stirling Systems - Experimental Results

In a Stirling Radioisotope Power System (RPS), heat must be continuously removed from the General Purpose Heat Source (GPHS) modules to maintain the modules and surrounding insulation at acceptable temperatures. The Stirling convertor normally provides this cooling. If the Stirling convertor stops in the current system, the insulation is designed to spoil, preventing damage to the GPHS at the cost of an early termination of the mission. An alkali-metal Variable Conductance Heat Pipe (VCHP) can be used to passively allow multiple stops and restarts of the Stirling convertor. In a previous NASA SBIR Program, Advanced Cooling Technologies, Inc. (ACT) developed a series of sodium VCHPs as backup cooling systems for Stirling RPS. The operation of these VCHPs was demonstrated using Stirling heater head simulators and GPHS simulators. In the most recent effort, a sodium VCHP with a stainless steel envelope was designed, fabricated and tested at NASA Glenn Research Center (GRC) with a Stirling convertor for two concepts; one for the Advanced Stirling Radioisotope Generator (ASRG) back up cooling system and one for the Long-lived Venus Lander thermal management system. The VCHP is designed to activate and remove heat from the stopped convertor at a 19 degC temperature increase from the nominal vapor temperature. The 19 degC temperature increase from nominal is low enough to avoid risking standard ASRG operation and spoiling of the Multi-Layer Insulation (MLI). In addition, the same backup cooling system can be applied to the Stirling convertor used for the refrigeration system of the Long-lived Venus Lander. The VCHP will allow the refrigeration system to: 1) rest during transit at a lower temperature than nominal; 2) pre-cool the modules to an even lower temperature before the entry in Venus atmosphere; 3) work at nominal temperature on Venus surface; 4) briefly stop multiple times on the Venus surface to allow scientific measurements. This paper presents the experimental results from integrating the VCHP with an operating Stirling convertor and describes the methodology used to achieve their successful combined operation.

Stirling Convertor↗

NASA NTRS2013

Variable Conductance Heat Pipe Cooling of Stirling Convertor and General Purpose Heat Source

In a Stirling Radioisotope Power System (RPS), heat must be continuously removed from the General Purpose Heat Source (GPHS) modules to maintain the modules and surrounding insulation at acceptable temperatures. The Stirling convertor normally provides this cooling. If the Stirling convertor stops in the current system, the insulation is designed to spoil, preventing damage to the GPHS at the cost of an early termination of the mission. An alkali-metal Variable Conductance Heat Pipe (VCHP) can be used to passively allow multiple stops and restarts of the Stirling convertor. In a previous NASA SBIR Program, Advanced Cooling Technologies, Inc. (ACT) developed a series of sodium VCHPs as backup cooling systems for Stirling RPS. The operation of these VCHPs was demonstrated using Stirling heater head simulators and GPHS simulators. In the most recent effort, a sodium VCHP with a stainless steel envelope was designed, fabricated and tested at NASA Glenn Research Center (GRC) with a Stirling convertor for two concepts; one for the Advanced Stirling Radioisotope Generator (ASRG) back up cooling system and one for the Long-lived Venus Lander thermal management system. The VCHP is designed to activate and remove heat from the stopped convertor at a 19 degC temperature increase from the nominal vapor temperature. The 19 degC temperature increase from nominal is low enough to avoid risking standard ASRG operation and spoiling of the Multi-Layer Insulation (MLI). In addition, the same backup cooling system can be applied to the Stirling convertor used for the refrigeration system of the Long-lived Venus Lander. The VCHP will allow the refrigeration system to: 1) rest during transit at a lower temperature than nominal; 2) pre-cool the modules to an even lower temperature before the entry in Venus atmosphere; 3) work at nominal temperature on Venus surface; 4) briefly stop multiple times on the Venus surface to allow scientific measurements. This paper presents the experimental results from integrating the VCHP with an operating Stirling convertor and describes the methodology used to achieve their successful combined operation.

Tarau, Calin↗

NASA NTRS2013

Alkali Metal Backup Cooling for Stirling Systems - Experimental Results

In a Stirling Radioisotope Power System (RPS), heat must be continuously removed from the General Purpose Heat Source (GPHS) modules to maintain the modules and surrounding insulation at acceptable temperatures. The Stirling convertor normally provides this cooling. If the Stirling convertor stops in the current system, the insulation is designed to spoil, preventing damage to the GPHS at the cost of an early termination of the mission. An alkali-metal Variable Conductance Heat Pipe (VCHP) can be used to passively allow multiple stops and restarts of the Stirling convertor. In a previous NASA SBIR Program, Advanced Cooling Technologies, Inc. (ACT) developed a series of sodium VCHPs as backup cooling systems for Stirling RPS. The operation of these VCHPs was demonstrated using Stirling heater head simulators and GPHS simulators. In the most recent effort, a sodium VCHP with a stainless steel envelope was designed, fabricated and tested at NASA Glenn Research Center (GRC) with a Stirling convertor for two concepts; one for the Advanced Stirling Radioisotope Generator (ASRG) back up cooling system and one for the Long-lived Venus Lander thermal management system. The VCHP is designed to activate and remove heat from the stopped convertor at a 19 C temperature increase from the nominal vapor temperature. The 19 C temperature increase from nominal is low enough to avoid risking standard ASRG operation and spoiling of the Multi-Layer Insulation (MLI). In addition, the same backup cooling system can be applied to the Stirling convertor used for the refrigeration system of the Long-lived Venus Lander. The VCHP will allow the refrigeration system to: 1) rest during transit at a lower temperature than nominal; 2) pre-cool the modules to an even lower temperature before the entry in Venus atmosphere; 3) work at nominal temperature on Venus surface; 4) briefly stop multiple times on the Venus surface to allow scientific measurements. This paper presents the experimental results from integrating the VCHP with an operating Stirling convertor and describes the methodology used to achieve their successful combined operation.

Schwendeman, Carl↗

NASA NTRS2001

Development of an advanced rocket propellant handler's suit

Most launch vehicles and satellites in the US inventory rely upon the use of hypergolic rocket propellants, many of which are toxic to humans. These fuels and oxidizers, such as hydrazine and nitrogen tetroxide have threshold limit values as low as 0.01 PPM. It is essential to provide space workers handling these agents whole body protection as they are universally hazardous not only to the respiratory system, but the skin as well. This paper describes a new method for powering a whole body protective garment to assure the safety of ground servicing crews. A new technology has been developed through the small business innovative research program at the Kennedy Space Center. Currently, liquid air is used in the environmental control unit (ECU) that powers the propellant handlers suit (PHE). However, liquid air exhibits problems with attitude dependence, oxygen enrichment, and difficulty with reliable quantity measurement. The new technology employs the storage of the supply air as a supercritical gas. This method of air storage overcomes all of three problems above while maintaining high density storage at relatively low vessel pressures (<7000 kPa or approximately 1000 psi). A one hour prototype ECU was developed and tested to prove the feasibility of this concept. This was upgraded by the design of a larger supercritical dewar capable of holding 7 Kg of air, a supply which provides a 2 hour duration to the PHE. A third version is being developed to test the feasibility of replacing existing air cooling methodology with a liquid cooled garment for relief of heat stress in this warm Florida environment. Testing of the first one hour prototype yielded data comparable to the liquid air powered predecessor, but enjoyed advantages of attitude independence and oxygen level stability. Thermal data revealed heat stress relief at least as good as liquid air supplied units. The application of supercritical air technology to this whole body protective ensemble marked an advancement in the state-of-the-art in personal protective equipment. Not only was long duration environmental control provided, but it was done without a high pressure vessel. The unit met human performance needs for attitude independence, oxygen stability and relief of heat stress. This supercritical air (and oxygen) technology is suggested for microgravity applications in life support such as the Extravehicular Mobility Unit. c 2001. Elsevier Science Ltd. All rights reserved.

Hazardous Substances↗

NASA NTRS2003

Thermal Vacuum Testing of a Novel Loop Heat Pipe Design for the Swift BAT Instrument

An advanced thermal control system for the Burst Alert Telescope on the Swift satellite has been designed and an engineering test unit (ETU) has been built and tested in a thermal vacuum chamber. The ETU assembly consists of a propylene loop heat pipe, two constant conductance heat pipes, a variable conductance heat pipe (VCHP), which is used for rough temperature control of the system, and a radiator. The entire assembly was tested in a thermal vacuum chamber at NASA/GSFC in early 2002. Tests were performed with thermal mass to represent the instrument and with electrical resistance heaters providing the heat to be transferred. Start-up and heat transfer of over 300 W was demonstrated with both steady and variable condenser sink temperatures. Radiator sink temperatures ranged from a high of approximately 273 K, to a low of approximately 83 K, and the system was held at a constant operating temperature of 278 K throughout most of the testing. A novel LHP temperature control methodology using both temperature-controlled electrical resistance heaters and a small VCHP was demonstrated. This paper describes the system and the tests performed and includes a discussion of the test results.

Ottenstein, Laura↗

NASA NTRS2001

Magnetic Flux Compression Reactor Concepts for Spacecraft Propulsion and Power (MSFC Center Director's Discretionary Fund; Project No. 99-24)

This technical publication (TP) examines performance and design issues associated with magnetic flux compression reactor concepts for nuclear/chemical pulse propulsion and power. Assuming that low-yield microfusion detonations or chemical detonations using high-energy density matter can eventually be realized in practice, various magnetic flux compression concepts are conceivable. In particular, reactors in which a magnetic field would be compressed between an expanding detonation-driven plasma cloud and a stationary structure formed from a high-temperature superconductor are envisioned. Primary interest is accomplishing two important functions: (1) Collimation and reflection of a hot diamagnetic plasma for direct thrust production, and (2) electric power generation for fusion standoff drivers and/or dense plasma formation. In this TP, performance potential is examined, major technical uncertainties related to this concept accessed, and a simple performance model for a radial-mode reactor developed. Flux trapping effectiveness is analyzed using a skin layer methodology, which accounts for magnetic diffusion losses into the plasma armature and the stationary stator. The results of laboratory-scale experiments on magnetic diffusion in bulk-processed type II superconductors are also presented.

Litchford, R. J.↗

NASA NTRS2019

Ruggedness Evaluation of ASTM International Standard Test Methods for Shape Memory Materials: E3097 Standard Test Method for Mechanical Uniaxial Constant Force Thermal Cycling of Shape Memory Alloys

This paper evaluates the ruggedness testing of the newly released ASTM International E3097 Standard Test Method for Mechanical Uniaxial Constant Force Thermal Cycling of Shape Memory Alloys. The ruggedness experiment was designed with eight runs in two replicates, consisting of seven factors of strain rate (ė), heating and cooling rates (T(sub heat) and T(sub cool), respectively), upper and lower cycle temperatures (UCT and LCT, respectively), hold time (t(sub hold)), and minimum load (F(sub min)) imparted on the samples. The results indicate that the hold time factor had no effect on any result variable. The minimum load factor, alternatively, had the greatest effect on several result variables, with the greatest influence on the strains at martensite start and finish (strain variation ~0.1 percent), and the strains at the upper and lower cycle temperatures (strain variation of 0.14 percent). The UCT was found to have a large effect on the austenite and martensite finish tangent line and data intersect, denoted by A(sub f(sup *)) and M(sub f(sup*)), by ~17 and 4 °C, respectively. The testing methodology, analysis techniques, and resulting conclusions on the ruggedness of the test methods are presented.

Benafan, Othmane↗

NASA NTRS2005

Thermal Insulation Test Apparatuses

The National Aeronautics and Space Administration (NASA) seeks to license its Thermal Insulation Test Apparatuses. Designed by the Cryogenics Test Laboratory at the John F. Kennedy Space Center (KSC) in Florida, these patented technologies (U.S. Patent Numbers: Cryostat 1 - 6,742,926, Cryostat 2 - 6,487,866, and Cryostat 4 - 6,824,306) allow manufacturers to fabricate and test cryogenic insulation at their production and/or laboratory facilities. These new inventions allow for the thermal performance characterization of cylindrical and flat specimens (e.g., bulk-fill, flat-panel, multilayer, or continuously rolled) over the full range of pressures, from high vacuum to no vacuum, and over the full range of temperatures from 77K to 300K. In today's world, efficient, low-maintenance, low-temperature refrigeration is taking a more significant role, from the food industry, transportation, energy, and medical applications to the Space Shuttle. Most countries (including the United States) have laws requiring commercially available insulation materials to be tested and rated by an accepted methodology. The new Cryostat methods go beyond the formal capabilities of the ASTM methods to provide testing for real systems, including full-temperature differences plus full-range vacuum conditions.

Berman, Brion↗

NASA NTRS2021

Machine Learning the COSMO Model for Predicting Thermodynamics of Electrolyte Mixtures

Bottom-up design of electrolyte mixtures for battery systems requires predicting macro thermodynamic properties from molecular constituents. For instance, molten salt electrolyte batteries require conditions far above room temperature to operate. Therefore, discovering mixtures with increasingly lower eutectic melting points is desirable. A model that can approximate chemical activity is a valuable tool to search through the vast compositional design space. Machine learning can predict properties of materials such as vibrational free energies, electronic energy gaps, and thermal conductivities. Moreover, they can learn physical models such as interatomic potentials. The COSMO-SAC model uses theory and empirical parameterization to predict liquid-vapor and liquid-solid properties using first-principles calculations. However, obtaining activity coefficients required for parameterizing the COSMO-SAC model is costly and limited to a select chemical space. In this work, we explored if machine learning methods could improve the COSMO-SAC model and bridge density functional theory calculations to liquid phase thermodynamic properties. Our data-driven approach uses existing databases for sigma-profiles of organic solvents and reconciles their methodological differences via ensemble averaging. First, an optimal machine learning model is constructed for each dataset. Our machine learning algorithms use the sigma-profile as an input feature to predict binary mixtures' activity coefficients using multi-output regression. Each dataset uses different choices of functionals, methods, and basis sets. Therefore, our ensemble model attempts to predict corrected activity coefficients given the combination of all the model outputs. The activity coefficients used for training are generated using the COSMO-SAC model. This approach enables the extraction of meaningful information from the existing datasets to improve the COSMO-SAC model for obtaining thermodynamic properties of electrolyte mixtures. With the liquid phase activities, we can identify electrolyte mixtures that meet desired phase equilibria conditions.

Thermodynamics↗

NASA NTRS2016

Development and Implementation of a Generic Analysis Template for Structural-Thermal-Optical-Performance Modeling

Performance-related effects of system level temperature changes can be a key consideration in the design of many types of optical instruments. This is especially true for space-based imagers, which may require complex thermal control systems to maintain alignment of the optical components. Structural-Thermal-Optical-Performance (STOP) analysis is a multi-disciplinary process that can be used to assess the performance of these optical systems when subjected to the expected design environment. This type of analysis can be very time consuming, which makes it difficult to use as a trade study tool early in the project life cycle. In many cases, only one or two iterations can be performed over the course of a project. This limits the design space to best practices since it may be too difficult, or take too long, to test new concepts analytically. In order to overcome this challenge, automation, and a standard procedure for performing these studies is essential. A methodology was developed within the framework of the Comet software tool that captures the basic inputs, outputs, and processes used in most STOP analyses. This resulted in a generic, reusable analysis template that can be used for design trades for a variety of optical systems. The template captures much of the upfront setup such as meshing, boundary conditions, data transfer, naming conventions, and post-processing, and therefore saves time for each subsequent project. A description of the methodology and the analysis template is presented, and results are described for a simple telescope optical system.

Scola, Salvatore↗