Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “optimal input design”

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 577 records · Page 32

Brayton Power Conversion System Parametric Design Modelling for Nuclear Electric Propulsion

The parametrically based closed Brayton cycle (CBC) computer design model was developed for inclusion into the NASA LeRC overall Nuclear Electric Propulsion (NEP) end-to-end systems model. The code is intended to provide greater depth to the NEP system modeling which is required to more accurately predict the impact of specific technology on system performance. The CBC model is parametrically based to allow for conducting detailed optimization studies and to provide for easy integration into an overall optimizer driver routine. The power conversion model includes the modeling of the turbines, alternators, compressors, ducting, and heat exchangers (hot-side heat exchanger and recuperator). The code predicts performance to significant detail. The system characteristics determined include estimates of mass, efficiency, and the characteristic dimensions of the major power conversion system components. These characteristics are parametrically modeled as a function of input parameters such as the aerodynamic configuration (axial or radial), turbine inlet temperature, cycle temperature ratio, power level, lifetime, materials, and redundancy.

Ashe, Thomas L.↗

Variable-Speed Induction Motor Drives for Aircraft Environmental Control Compressors

New, more-efficient designs for aircraft jet engines are not capable of supplying the large quantities of bleed air necessary to provide pressurization and air conditioning for the environmental control systems (ECS) of the next generation of large passenger aircraft. System analysis and engineering have determined that electrically-driven ECS can help to maintain the improved fuel efficiencies; and electronic controllers and induction motors are now being developed in a NASA/NPD SBIR Program to drive both types of ECS compressors. Previous variable-speed induction motor/controller system developments and publications have primarily focused on field-oriented control, with large transient reserve power, for maximum acceleration and optimum response in actuator and robotics systems. The application area addressed herein is characterized by slowly-changing inputs and outputs, small reserve power capability for acceleration, and optimization for maximum efficiency. This paper therefore focuses on the differences between this case and the optimum response case, and shows the development of this new motor/controller approach. It starts with the creation of a new set of controller requirements. In response to those requirements, new control algorithms are being developed and implemented in an embedded computer, which is integrated into the motor controller closed loop. Buffered logic outputs are used to drive the power switches in a resonant-technology, power processor/motor-controller, at switching/resonant frequencies high enough to support efficient high-frequency induction motor operation at speeds up to 50,000-RPA

Mildice, J. W.↗

Spatial land-use inventory, modeling, and projection/Denver metropolitan area, with inputs from existing maps, airphotos, and LANDSAT imagery

A landscape model was constructed with 34 land-use, physiographic, socioeconomic, and transportation maps. A simple Markov land-use trend model was constructed from observed rates of change and nonchange from photointerpreted 1963 and 1970 airphotos. Seven multivariate land-use projection models predicting 1970 spatial land-use changes achieved accuracies from 42 to 57 percent. A final modeling strategy was designed, which combines both Markov trend and multivariate spatial projection processes. Landsat-1 image preprocessing included geometric rectification/resampling, spectral-band, and band/insolation ratioing operations. A new, systematic grid-sampled point training-set approach proved to be useful when tested on the four orginal MSS bands, ten image bands and ratios, and all 48 image and map variables (less land use). Ten variable accuracy was raised over 15 percentage points from 38.4 to 53.9 percent, with the use of the 31 ancillary variables. A land-use classification map was produced with an optimal ten-channel subset of four image bands and six ancillary map variables. Point-by-point verification of 331,776 points against a 1972/1973 U.S. Geological Survey (UGSG) land-use map prepared with airphotos and the same classification scheme showed average first-, second-, and third-order accuracies of 76.3, 58.4, and 33.0 percent, respectively.

Tom, C.↗

Rapid Airplane Parametric Input Design(RAPID)

An efficient methodology is presented for defining a class of airplane configurations. Inclusive in this definition are surface grids, volume grids, and grid sensitivity. A small set of design parameters and grid control parameters govern the process. The general airplane configuration has wing, fuselage, vertical tail, horizontal tail, and canard components. The wing, tail, and canard components are manifested by solving a fourth-order partial differential equation subject to Dirichlet and Neumann boundary conditions. The design variables are incorporated into the boundary conditions, and the solution is expressed as a Fourier series. The fuselage has circular cross section, and the radius is an algebraic function of four design parameters and an independent computational variable. Volume grids are obtained through an application of the Control Point Form method. Grid sensitivity is obtained by applying the automatic differentiation precompiler ADIFOR to software for the grid generation. The computed surface grids, volume grids, and sensitivity derivatives are suitable for a wide range of Computational Fluid Dynamics simulation and configuration optimizations.

Smith, Robert E.↗

Determining Damping Trends from a Range of Cable Harness Assemblies on a Launch Vehicle Panel from Test Measurements

The team of authors at Marshall Space Flight Center (MSFC) has been investigating estimating techniques for the vibration response of launch vehicle panels excited by acoustics and/or aero-fluctuating pressures. Validation of the approaches used to estimate these environments based on ground tests of flight like hardware is of major importance to new vehicle programs. The team at MSFC has recently expanded upon the first series of ground test cases completed in December 2010. The follow on tests recently completed are intended to illustrate differences in damping that might be expected when cable harnesses are added to the configurations under test. This validation study examines the effect on vibroacoustic response resulting from the installation of cable bundles on a curved orthogrid panel. Of interest is the level of damping provided by the installation of the cable bundles and whether this damping could be potentially leveraged in launch vehicle design. The results of this test are compared with baseline acoustic response tests without cables. Damping estimates from the measured response data are made using a new software tool that employs a finite element model (FEM) of the panel in conjunction with advanced optimization techniques. This paper will report on the \damping trend differences. observed from response measurements for several different configurations of cable harnesses. The data should assist vibroacoustics engineers to make more informed damping assumptions when calculating vibration response estimates when using model based analysis approach. Achieving conservative estimates that have more flight like accuracy is desired. The paper may also assist analysts in determining how ground test data may relate to expected flight response levels. Empirical response estimates may also need to be adjusted if the measured response used as an input to the study came from a test article without flight like cable harnesses.

Smith, Andrew↗

Conceptual Design Optimization of an Augmented Stability Aircraft Incorporating Dynamic Response and Actuator Constraints

Empirical sizing guidelines such as tail volume coefficients have long been used in the early aircraft design phases for sizing stabilizers, resulting in conservatively stable aircraft. While successful, this results in increased empty weight, reduced performance, and greater procurement and operational cost relative to an aircraft with optimally sized surfaces. Including flight dynamics in the conceptual design process allows the design to move away from empirical methods while implementing modern control techniques. A challenge of flight dynamics and control is the numerous design variables, which are changing fluidly throughout the conceptual design process, required to evaluate the system response to some disturbance. This research focuses on addressing that challenge not by implementing higher order tools, such as computational fluid dynamics, but instead by linking the lower order tools typically used within the conceptual design process so each discipline feeds into the other. In thisresearch, flight dynamics and control was incorporated into the conceptual design process along with the traditional disciplines of vehicle sizing, weight estimation, aerodynamics, and performance. For the controller, a linear quadratic regulator structure with constant gains has been specified to reduce the user input. Coupling all the disciplines in the conceptual design phase allows the aircraft designer to explore larger design spaces where stabilizers are sized according to dynamic response constraints rather than historical static margin and volume coefficient guidelines.

Welstead, Jason↗

Fuzzy logic mode switching in helicopters

The application of fuzzy logic to a wide range of control problems has been gaining momentum internationally, fueled by a concentrated Japanese effort. Advanced Research & Development within the Engineering Department at Sikorsky Aircraft undertook a fuzzy logic research effort designed to evaluate how effective fuzzy logic control might be in relation to helicopter operations. The mode switching module in the advanced flight control portion of Sikorsky's motion based simulator was identified as a good candidate problem because it was simple to understand and contained imprecise (fuzzy) decision criteria. The purpose of the switching module is to aid a helicopter pilot in entering and leaving coordinated turns while in flight. The criteria that determine the transitions between modes are imprecise and depend on the varied ranges of three flight conditions (i.e., simulated parameters): Commanded Rate, Duration, and Roll Attitude. The parameters were given fuzzy ranges and used as input variables to a fuzzy rulebase containing the knowledge of mode switching. The fuzzy control program was integrated into a real time interactive helicopter simulation tool. Optimization of the heading hold and turn coordination was accomplished by interactive pilot simulation testing of the handling quality performance of the helicopter dynamic model. The fuzzy logic code satisfied all the requirements of this candidate control problem.

Sherman, Porter D.↗

Reconfigurable, Bi-Directional Flexfet Level Shifter for Low-Power, Rad-Hard Integration

Two prototype Reconfigurable, Bi-directional Flexfet Level Shifters (ReBiLS) have been developed, where one version is a stand-alone component designed to interface between external low voltage and high voltage, and the other version is an embedded integrated circuit (IC) for interface between internal low-voltage logic and external high-voltage components. Targeting stand-alone and embedded circuits separately allows optimization for these distinct applications. Both ReBiLS designs use the commercially available 180-nm Flex fet Independently Double-Gated (IDG) SOI CMOS (silicon on insulator, complementary metal oxide semiconductor) technology. Embedded ReBiLS circuits were integrated with a Reed-Solomon (RS) encoder using CMOS Ultra-Low-Power Radiation Tolerant (CULPRiT) double-gated digital logic circuits. The scope of the project includes: creation of a new high-voltage process, development of ReBiLS circuit designs, and adjustment of the designs to maximize performance through simulation, layout, and manufacture of prototypes. The primary technical objectives were to develop a high-voltage, thick oxide option for the 180-nm Flexfet process, and to develop a stand-alone ReBiLS IC with two 8-channel I/O busses, 1.8 2.5 I/O on the low-voltage pins, 5.0-V-tolerant input and 3.3-V output I/O on the high-voltage pins, and 100-MHz minimum operation with 10-pF external loads. Another objective was to develop an embedded, rad-hard ReBiLS I/O cell with 0.5-V low-voltage operation for interface with core logic, 5.0-V-tolerant input and 3.3-V output I/O pins, and 100-MHz minimum operation with 10- pF external loads. A third objective was to develop a 0.5- V Reed-Solomon Encoder with embedded ReBilS I/O: Transfer the existing CULPRiT RS encoder from a 0.35-micron bulk-CMOS process to the ASI 180-nm Flexfet, rad-hard SOI Process. 0.5-V low-voltage core logic. 5.0-V-tolerant input and 3.3-V output I/O pins. 100-MHz minimum operation with 10- pF external loads. The stand-alone ReBiLS chip will allow system designers to provide efficient bi-directional communication between components operating at different voltages. Embedding the ReBiLS cells into the proven Reed-Solomon encoder will demonstrate the ability to support new product development in a commercially viable, rad-hard, scalable 180-nm SOI CMOS process.

DeGregorio, Kelly↗

Flight Trajectory Prediction Based on Hybrid-Recurrent Networks

The development of future technologies for the National Airspace System (NAS) will be reliant on a new communications infrastructure capable of managing the limited available spectrum for communications among aircraft and ground systems. Emerging approaches to autonomous allocation of aviation spectrum mostlyrely on machine learning techniques, where 4D (longitude, latitude, altitude, time) trajectory prediction is an important data input to enable real-time resource allocation. This study explores and evaluates effective data sources and deep recurrent neural network techniques when determining flight trajectories. Specifically, data are collected and evaluated in a 100-day and 14-day period. Sources of data include NASA Sherlock Data Warehouse, MIT Lincoln Labs Corridor Integrated Weather Service (CIWS), and assorted NOAA weather datasets. Deep learning models for 4D predictions all utilize a hybrid-recurrent technique. A baseline model is considered via the convolutional-LSTM design from the existing literature. The modified design considers Gated Recurrent Units (GRU), Independently Recurrent Neural Networks (IndRNN), and stand-alone self-attention layers. Results indicatethe effectiveness of LSTM and GRUcells for state-of-the-art data processing (interpolation). Additionally, GRUs may be quickly trained with limited data, allowing for exacting improvements with optimizer selection. Attention mechanisms provide notable performance improvements to convolutional layers and may extend dimensional capabilities of a learning model. Finally, NOAA measurements provide only a supplemental value, requiring support from tailored measurements for Air Traffic Management.

Nathan Schimpf↗

X-57 Mod II Avionics Power Analysis

The X-57 Mod II Avionics Power Analysis was developed to provide the design requirements for the X-57 Avionics Power System. In the Mod II configuration, the two stock Tecnam P2006T Rotax engines are replaced with two electric motors. A high voltage traction battery (460 VDC nominal) supplies power for the motors. The Mod II avionics power design uses the stock Tecnam avionics power architecture as a baseline. The stock Tecnam power system utilizes three 12 VDC power sources, a battery and two alternators, to provided redundant avionics power. This redundancy was preserved in the X-57 avionics power architecture. A block diagram of the X-57 avionics system can be found in the “Mod II Architecture” worksheet of this documents. Since the X-57 electric motors do not have alternators or generators, two 13.8V DC Converters were added to replace the stock Tecnam alternators. Input power to these DC Converters is provide by the high voltage traction battery. The Tecnam stock lead acid battery was replaced with a Lithium Iron Phosphate (LiFePO4) battery. The Mod II Avionics Power Analysis provided the power requirements for the two 13.8V DC converters and the Lithium Iron Phosphate battery. Power requirement estimates for each subsystem used in this analysis were provided by manufacturer specifications, measured in the laboratory or provided by the subsystem design engineer. Typical power requirements and maximum power requirements were provided for each subsystem. The Mod II Avionics Power Systems consists of seven 13.8 VDC buses, two 28 VDC Buses and two 23 VDC buses. The avionics power requirements for Mod III configuration are the same as Mod II. The Mod III configuration replaces the stock Tecnam wing with a carbon fiber wing that is optimized for cruise conditions. The motors are located on the wingtips. The Mod IV Avionics Power Analysis is a separate analysis and is document number ANLYS-CEPT-032.

Keith Harris↗

End-to-End Trade-Space Analysis for Designing Constellation

Multipoint measurement missions can provide a significant advancement in science return and this science interest coupled with as many recent technological advances are driving a growing trend in exploring distributed architectures for future NASA missions. Distributed Spacecraft Missions (DSMs) leverage multiple spacecraft to achieve one or more common goals. In particular, a constellation is the most general form of DSM with two or more spacecraft placed into specific orbit(s) for the purpose of serving a common objective (e.g., CYGNSS). Because a DSM architectural trade-space includes both monolithic and distributed design variables, DSM optimization is a large and complex problem with multiple conflicting objectives. Over the last two years, our team has been developing a Trade-space Analysis Tool for Constellations (TAT-C), implemented in common programming languages for pre-Phase A constellation mission analysis. By evaluating alternative mission architectures, TAT-C seeks to minimize cost and maximize performance for pre-defined science goals. This presentation will describe the overall architecture of TAT-C including: a User Interface (UI) at several levels of details and user expertise; Trade-space Search Requests that are created from the Science requirements gathered by the UI and validated by a Knowledge Base; a Knowledge Base to compare the current requests to prior mission concepts to potentially prune the trade-space; a Trade-space Search Iterator which, with inputs from the Knowledge Base, and, in collaboration with the Orbit & Coverage, Reduction & Metrics, and Cost& Risk modules, generates multiple potential architectures and their associated characteristics. TAT-C leverages the use of the Goddard Mission Analysis Tool (GMAT) to compute coverage and ancillary data, modeling orbits to balance accuracy and performance. The current version includes uniform and non-uniform Walker constellations as well as Ad-Hoc and precessing constellations, and its cost model represents an aggregate model consisting of Cost Estimating Relationships (CERs) from widely accepted models. The current GUI automatically generates graphics representing metrics such as average revisit time or coverage as a function of cost. The end-to-end system will be demonstrated as part of the presentation.

Mission Desig↗

Simulator evaluation of system identification with on-line control law update for the controls and astrophysics experiment in space

A procedure for optimizing the performance of large flexible spacecraft that require active vibration suppression to achieve required performance is presented. The procedure is to conduct on-orbit testing and system identification followed by a control system design. It is applied via simulation to a spacecraft configuration currently being considered for flight test by NASA - the Controls, Astrophysics, and Structures Experiment in Space (CASES). The system simulator is based on a NASTRAN finite element structural model. A finite number of modes is used to represent the structural dynamics. The system simulator also includes models of the electronics, actuators, sensors, the digital controller, and the internal and external disturbances. Nonlinearities caused by quantization are included in the study to examine tolerance of the procedure to modelling errors. Disturbance and sensor noise is modelled as a Gaussian process. For system identification, the system is excited using sinusoidal inputs at the resonant frequencies of the structure using each actuator. Mode shapes, frequencies, and damping ratios are identified from the unforced response sensor data after each excitation. Then, the excitation data is used to identify the actuator influence coefficients. The results of the individual parameter identification analyses are assembled into an aggregate system model. The control design is accomplished based only on the identified model using multi-input/output linear quadratic Gaussian theory. Its performance is evaluated based on time-to-damp as compared with the uncontrolled structure.

Montgomery, Raymond C.↗

TAT-C: A Trade-Space Analysis Tool for Constellations

Under a changing technological and economic environment, there is growing interest in implementing future NASA Earth Science missions as Distributed Spacecraft Missions (DSM). The objective of our project is to provide a framework that facilitates DSM Pre-Phase A investigations and optimizes DSM designs with respect to a-priori Science goals. In this first version of our Trade-space Analysis Tool for Constellations (TAT-C), we are investigating questions such as: Which type of constellations should be chosen? How many spacecraft should be included in the constellation? Which design has the best costrisk value? This paper describes the overall architecture of TAT-C including: a User Interface (UI) interacting with multiple users - scientists, missions designers or program managers; an Executive Driver gathering requirements from UI and formulating Trade-space Search Requests for the Trade-space Search Iterator, which in collaboration with the Orbit Coverage, Reduction Metrics, and Cost Risk modules generates multiple potential architectures and their associated characteristics. UI will include Graphical, Command Line and Application Programmer Interfaces to respond to the demands of various levels of users expertise. Science inputs are grouped into various mission concepts, satellite specifications, and payload specifications, while science outputs are grouped into several types of metrics - spatial, temporal, angular and radiometric. Orbit Coverage leverages the use of the Goddard Mission Analysis Tool (GMAT) to compute coverage and ancillary data that are passed to Reduction Metrics. Then, for each architecture design, Cost Risk will provide estimates of the cost and life cycle cost as well as technical and cost risk of the proposed mission. Additionally, the Knowledge Base module is a centralized store of structured data readable by humans and machines. It will support both TAT-C analysis when composing new mission concepts from existing model inputs, and TAT-C exploration when discovering new mission concepts by querying previous results.

Science Data Processing↗

Keplerian Analysis for Versatile Evaluation of Arbitrary Trajectories

Designing interplanetary missions is an iterative process, with a tight coupling between mission analysis and vehicle design. The ability to simultaneously process both analyses early on can provide significant benefits in both the concept formulation and in overall mission feasibility. To implement such a simultaneous analysis process, there is a need to model interplanetary trajectories rapidly while maintaining an acceptable level of fidelity. Many simple patched conics tools make too many assumptions to satisfactorily address all relevant constraints and objectives, while full-fidelity trajectory design tools often require more time and expertise than is available in early conceptual studies. Hence, some form of middle-ground modeling tool would provide value. This paper introduces the development of such a tool using Python. This tool, Keplerian Analysis for Versatile Evaluation of Arbitrary Trajectories (KAVEAT), implements a patched conics method that enforces continuity of state (time, mass, position, velocity) through all transitions between various spheres of influence on the trajectory. The trajectory is constructed in an object-oriented manner, dynamically assembling unique maneuvers such as departure burns, heliocentric transfers (ballistic or with electric propulsion), and planetary flybys (powered or unpowered). Each maneuver has its own specific set of basic inputs needed to define it. The tool then takes these defined maneuvers, strings them together creating all the interdependencies required, and solves for the ideal trajectory using a gradient-based optimizer.

Katherine T McBrayer↗

Assessing Relay Communications for Mars Sample Return Surface Mission Concepts

The Mars Sample Return (MSR) Campaign would be a 3-mission campaign concept supported by NASA and ESA to return samples from the Mars surface. MSR would, for the first time ever, present a need to communicate with multiple surface assets that are co-located on Mars in a coordinated effort to accomplish the unified objective of fetching, transporting, and returning samples from Mars. Currently, Mars surface assets relay data to and from Earth using a number of orbiters in what’s known as the Mars Relay Network (MRN). This network is characterized by a small number of surface assets distributed across the Martian globe and a larger number of orbiters to provide relay services. As of June 2020, there are two surface assets for which five orbiters are providing relay. During the MSR Campaign, there would be two rovers and a lander that all would require relay communication from a small number of Mars orbiters to meet the aggressive MSR timeline. The inversion of the current MRN paradigm, a system of many surface assets requiring relay and few orbiters to provide relay, necessitates the unique challenge of optimally allocating relay passes to maximize the operational capability of all assets. The allocation must consider a large number of trade variables including Mars asset operational requirements and Earth ground system constraints, including staffing schedules, operations planning across time zones, and more. To address these telecommunication challenges, the Mars Asset Relay Mission Link Allocation Design Environment (MARMLADE) tool was developed. It is a MATLAB-based tool to assign orbiter passes or Direct-From-Earth (DFE) links to each of the three surface assets and quantify the operational efficiency of each surface asset.MARMLADE uses a data set of simulated Mars relay orbiter geometry and telecommunication capabilities provided by JPL’s Telecom Orbit Analysis and Simulation Tool (TOAST) software to compute which asset should get each pass based on a series of heuristics and predictions of all assets’ states. Within MARMLADE, the user can provide inputs including the option for time-based pass splitting, fixed FWD data rate capabilities, DFE communication capabilities, and link parameters allowing for the assessment of complex operations and hardware trades using surface mission operational efficiency as a primary figure of merit. As the MSR mission concepts continue to mature, MARMLADE is being used to assess ability of all MSR elements to meet the surface mission timeline requirements and to provide relay link allocations to each of the MSR surface assets.This paper will describe the motivation and design of the MARMLADE tool and how it is being used to perform campaign and mission level trades, generate requirements, and support development of the MSR surface mission scenarios.

Lee, Charles↗

Comparison of Artemis 2 and Artemis 5 Model Outcomes Using the Impact Probabilistic Risk Assessment Tool

BACKGROUND The Artemis campaign is a Moon exploration program with a series of six planned missions, five of which will be crewed. These five crewed missions will contain a single mission segment (space flight), or multiple mission segments involving space flight (Orion), lunar landing (LTV) and/or space habitat (Gateway). Each crewed segment faces the risk of unique medical conditions, necessitating medical sets/kits tailored to those specificities. To support and enable a data-driven and evidence-based decision-making process through out a mission’s life cycle, a software tool called IMPACT was developed. Using probabilistic risk assessment (PRA) methodologies, IMPACT (Informing Mission Planning via Analysis of Complex Tradespaces) is a novel tool built for analyzing the possibility of encountering complex medical risks during space flight, and for identifying the medical resources and capabilities needed to treat those potential at-risk medical conditions. This presentation will seek to compare IMPACT’s computational results upon potential complex space medical conditions (e.g., sprain/strain back or sleep disturbance) using IMPACT’s risk metrics and the associated optimized medical sets/kits between two Artemis missions: single segment Artemis 2 and multi-segmented Artemis 5. OVERVIEW By identifying potential medical conditions in space using input criteria such as crew quantity and composition, certain crew physical characteristics, mission duration and mission activities, IMPACT can produce analyses on the type of medical resources and capabilities needed to produce an optimized medical set/kit to address those medical conditions. IMPACT achieves this by performing hundreds of thousands of Monte Carlo simulations of missions to build aggregate pictures of medical risk. IMPACT’s risk metrics include loss of crew life (LOCL) – a measure of crew mortality due to medical conditions in space, return to definitive care (RTDC) – the need to perform crew evacuation, and task time lost (TTL) – a measure of the inability to perform activities due to crew disability. These risk metrics are applied to every medical condition identified by IMPACT’s computation analyses for every segment of the mission. Medical sets/kits are optimized to address these medical conditions but must fit within the stated Artemis Design Reference Mission (DRM) request for mass and volume physical size constraints. ANTICIPATED ANALYSIS AND CONCLUSION Using two Artemis missions, Artemis 2 and Artemis 5, IMPACT will provide the analyses for comparison of medical set/kit contents based upon mass and/or volume requirements and identify the at-risk medical conditions within both missions. This paper serves as an initial exploration of probabilistic risk assessment (PRA) medical risk calculations between two crewed Artemis missions and is not intended to be deemed the official medical response for the Artemis campaign.

probabilistic risk assessment↗

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↗

Planar Submillimeter-Wave Mixer Technology with Integrated Antenna

High-performance mixers at terahertz frequencies require good matching between the coupling circuits such as antennas and local oscillators and the diode embedding impedance. With the availability of amplifiers at submillimeter wavelengths and the need to have multi-pixel imagers and cameras, planar mixer architecture is required to have an integrated system. An integrated mixer with planar antenna provides a compact and optimized design at terahertz frequencies. Moreover, it leads to a planar architecture that enables efficient interconnect with submillimeter-wave amplifiers. In this architecture, a planar slot antenna is designed on a thin gallium arsenide (GaAs) membrane in such a way that the beam on either side of the membrane is symmetric and has good beam profile with high coupling efficiency. A coplanar waveguide (CPW) coupled Schottky diode mixer is designed and integrated with the antenna. In this architecture, the local oscillator (LO) is coupled through one side of the antenna and the RF from the other side, without requiring any beam sp litters or diplexers. The intermediate frequency (IF) comes out on a 50-ohm CPW line at the edge of the mixer chip, which can be wire-bonded to external circuits. This unique terahertz mixer has an integrated single planar antenna for coupling both the radio frequency (RF) input and LO injection without any diplexer or beamsplitters. The design utilizes novel planar slot antenna architecture on a 3- mthick GaAs membrane. This work is required to enable future multi-pixel terahertz receivers for astrophysics missions, and lightweight and compact receivers for planetary missions to the outer planets in our solar system. Also, this technology can be used in tera hertz radar imaging applications as well as for testing of quantum cascade lasers (QCLs).

Chattopadhyay, Gautam↗