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At least 109 records · Page 6

Exploration of Particle Size Engineering and Microencapsulation Technologies for Multifunctional Applications

There is a critical need for high performance materials for functional and space-based applications, including tires for exploratory rovers and external structures for landing vehicles. Novel ternary borides, such as iron aluminum boride (Fe2AlB2) and molybdenum aluminum boride (MoAlB), have emerged as potential materials for such application owing to their hardness, mechanical behavior and oxidation resistance. In this poster presentation, we will present different methods of fabricating these particles and engineering them for additive manufacturing and other related manufacturing practices. As an integral component of this study, we will demonstrate technologies to (a) synthesize these particles and (b) microencapsulate these particles with bioplastics like polylactic acid (PLA). The resulting particles will be evaluated for their processability as coatings on hydroxyapatite and Inconel particles using microstructural and flowability studies. It is expected that these particles can be used for 3D printing.

ceramics↗

NASA Tech Briefs, February 2009

Tech Briefs are short announcements of innovations originating from research and development activities of the National Aeronautics and Space Administration. They emphasize information considered likely to be transferable across industrial, regional, or disciplinary lines and are issued to encourage commercial application. Topics covered include: Measuring Low Concentrations of Liquid Water in Soil; The Mars Science Laboratory Touchdown Test Facility; Non-Contact Measurement of Density and Thickness Variation in Dielectric Materials; Compact Microwave Fourier Spectrum Analyzer; InP Heterojunction Bipolar Transistor Amplifiers to 255 GHz; Combinatorial Generation of Test Suites; In-Phase Power-Combined Frequency Tripler at 300 GHz; Electronic System for Preventing Airport Runway Incursions; Smaller but Fully Functional Backshell for Cable Connector; Glove-Box or Desktop Virtual-Reality System; Composite Layer Manufacturing with Fewer Interruptions; Improved Photoresist Coating for Making CNT Field Emitters; A Simplified Diagnostic Method for Elastomer Bond Durability; Complex Multifunctional Polymer/Carbon-Nanotube Composites; Very High Output Thermoelectric Devices Based on ITO Nanocomposites; Reducing Unsteady Loads on a Piggyback Miniature Submarine; Ultrasonic/Sonic Anchor; Grooved Fuel Rings for Nuclear Thermal Rocket Engines; Pulsed Operation of an Ion Accelerator; Autonomous Instrument Placement for Mars Exploration Rovers; Mission and Assets Database; TCP/IP Interface for the Satellite Orbit Analysis Program (SOAP); Trajectory Calculator for Finite-Radius Cutter on a Lathe; Integrated System Health Management Development Toolkit.

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The Inertial Stellar Compass (ISC): A Multifunction, Low Power, Attitude Determination Technology Breakthrough

The Inertial Stellar Compass (ISC) is a miniature, low power, stellar inertial attitude determination system with an accuracy of better than 0.1 degree (1 sigma) in three axes. The ISC consumes only 3.5 Watts of power and is contained in a 2.5 kg package. With its embedded on-board processor, the ISC provides attitude quaternion information and has Lost-in-Space (LIS) initialization capability. The attitude accuracy and LIS capability are provided by combining a wide field of view Active Pixel Sensor (APS) star camera and Micro- ElectroMechanical System (MEMS) inertial sensor information in an integrated sensor system. The performance and small form factor make the ISC a useful sensor for a wide range of missions. In particular, the ISC represents an enabling, fully integrated, micro-satellite attitude determination system. Other applications include using the ISC as a single sensor solution for attitude determination on medium performance spacecraft and as a bolt on independent safe-hold sensor or coarse acquisition sensor for many other spacecraft. NASA's New Millennium Program (NMP) has selected the ISC technology for a Space Technology 6 (ST6) flight validation experiment scheduled for 2004. NMP missions, such a s ST6, are intended to validate advanced technologies that have not flown in space in order to reduce the risk associated with their infusion into future NASA missions. This paper describes the design, operation, and performance of the ISC and outlines the technology validation plan. A number of mission applications for the ISC technology are highlighted, both for the baseline ST6 ISC configuration and more ambitious applications where ISC hardware and software modifications would be required. These applications demonstrate the wide range of Space and Earth Science missions that would benefit from infusion of the ISC technology.

Bauer, Frank H.↗

Thin Film Technology Development for the Powersphere

The Aerospace Corporation, NASA Glenn Research Center, Lockheed-Martin, and ILC Dover over the past two years have been engaged in developing a Multifunctional Inflatable Structure for the Powersphere Concept under contract with NASA (NAS3-01115). The Powersphere concept consists of a relatively large spherical solar array, which would be deployed from a microsatellite. The Powersphere structure and the deployment method was patented by the Aerospace Corporation (U.S. Patent Numbers 6,284,966 B 1 and 6,3 18,675). The work on this project has resulted in a number of technological innovations in the state of the art for integrating flexible thin-film solar cells with flex circuit harness technology and inflatable ultraviolet-light-rigidizable structures. The specific power, specific volume, for the Powersphere are presented in Figures 1 and 2 as a function of solar cell technology and efficiency. The Powersphere will enable microsatellite missions across NASA enterprises and DoD missions by providing ample electric power at an affordable cost. The Powersphere design provides attitude-independent electric power and thermal control for an enclosed microsatellite payload. The design is scalable, robust in high radiation environments and provides sufficient electric power to allow the use of electric propulsion. Electric propulsion enables precise positioning of microsatellites which is required for inspectors that would be deployed to inspect the International Space Station, Space Shuttle or large unmanned spacecraft. The Powersphere allows for efficient launch packaging versus deployed volume as shown in Figure 3.

Simburger, Edward J.↗

Corrosion Control in the Aerospace Industry

Nearly all metals and their alloys are subject to corrosion that causes them to lose their structural integrity or other critical functionality. It is essential to detect corrosion when it occurs, and preferably at its early stage, so that action can be taken to avoid structural damage or loss of function. Protective coatings are the most commonly used method of corrosion control. However, progressively stricter environmental regulations have resulted in the ban of many commercially available corrosion protective coatings due to the harmful effects of their solvents or corrosion inhibitors. This work concerns the development of a multifunctional, smart coating for the autonomous control of corrosion. This coating is being developed to have the inherent ability to detect the chemical changes associated with the onset of corrosion and respond autonomously to indicate it and control it..

Corrosion Control↗

Smart Coatings for Corrosion Protection

Nearly all metals and their alloys are subject to corrosion that causes them to lose their structural integrity or other critical functionality. It is essential to detect corrosion when it occurs, and preferably at its early stage, so that action can be taken to avoid structural damage or loss of function. Protective coatings are the most commonly used method of corrosion control. However, progressively stricter environmental regulations have resulted in the ban of many commercially available corrosion protective coatings due to the harmful effects of their solvents or corrosion inhibitors. This work concerns the development of a multifunctional, smart coating for the autonomous control of corrosion. This coating is being developed to have the inherent ability to detect the chemical changes associated with the onset of corrosion and respond autonomously to indicate it and control it.

Coatings↗

NASA Tech Briefs, May 2007

Topics include: Noise-Canceling Helmet Audio System; Program Analyzes Spacecraft/Ground Radio Links; Two-Way Communication Using RFID Equipment and Techniques; Six-Message Electromechanical Display System; Scanning Terahertz Heterodyne Imaging Systems; Master Clock and Time-Signal-Distribution System; Synchronous Phase-Resolving Flash Range Imaging; Integrated Radial Probe Transition From MMIC to Waveguide; Bar-Code System for a Microbiological Laboratory; MMIC Amplifier Produces Gain of 10 dB at 235 GHz; Mapping Nearby Terrain in 3D by Use of a Grid of Laser Spots; Digital Beam Deflectors Based Partly on Liquid Crystals; Narrow-Band WGM Optical Filters With Tunable FSRs; Better Finite-Element Analysis of Composite Shell Structures; Computing Spacecraft-Pointing Vectors for Limb Tracking; Enhanced Master Controller Unit Tester; Rover Graphical Simulator; Increasing Durability of Flame-Sprayed Strain Gauges; Multifunctional, High-Temperature Nanocomposites; Multilayer Impregnated Fibrous Thermal Insulation Tiles; Radiation-Shielding Polymer/Soil Composites; Film/Adhesive Processing Module for Fiber-Placement Processing of Composites; Fabrication of Submillimeter Axisymmetric Optical Components; Electrochemical Disposal of Hydrazines in Water; Statistical Model of Evaporating Multicomponent Fuel Drops; Resistively Heated SiC Nozzle for Generating Molecular Beams; Compact Packaging of Photonic Millimeter-Wave Receiver; Diffractive Combiner of Single-Mode Pump Laser-Diode Beams; Wide-Band, High-Quantum-Efficiency Photodetector; A Robustly Stabilizing Model Predictive Control Algorithm; Modeling Evaporation of Drops of Different Kerosenes; Development of Vapor-Phase Catalytic Ammonia Removal System; Several Developments in Space Tethers; Design Concept for a Nuclear Reactor-Powered Mars Rover; Formation-Initialization Algorithm for N Spacecraft; and DNSs of Multicomponent Gaseous and Drop-Laden Mixing Layers Achieving Transition to Turbulence.

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NASA Tech Briefs, November 1995

The contents include: 1) Mission Accomplished; 2) Resource Report: Marshall Space Flight Center; 3) NASA 1995 Software of the Year Award; 4) Microbolometers Based on Epitaxial YBa2Cu3O(sub 7-x) Thin Films; 5) Garnet Random-Access Memory; 6) Fabrication of SNS Weak Links on SOS Substrates; 7) High-Voltage MOSFET Switching Circuit; 8) Asymmetric Switching for a PWM H-Bridge Power Circuit; 9) Better Ohmic Contacts for InP Semiconductor Devices; 10) Low-Bandgap Thermovoltaic Materials and Devices; 11) Digital Frequency-Differencing Circuit; 12) Imaging Magnetometer; 13) Computer-Assisted Monitoring of a Complex System; 14) Buffered Telemetry Demodulator; 15) Compact Multifunction Inspection Head; 16) Optical Detection of Fractures in Ceramic Diaphragms; 17) Eddy-Current Detection of Cracks in Reinforced Carbon/Carbon; 18) Apparent Thermal Conductivity of Multilayer Insulation; 19) Optimizing Misch-Metal Compositions in Metal Hydride Anodes; 20) Device for Sampling Surface Contamination; 21) Probabilistic Failure Assessment for Fatigue; 22) Probabilistic Fatigue and Flaw-Propagation Analysis; 23) Windows Program for Driving the TDU-850 Printer; 24) Subband/Transform MATLAB Functions for Processing Images; 25) Computing Equilibrium Chemical Compositions; 26) Program Processes Thermocouple Readings; 27) ICAN-Second-Generation Integrated Composite Analyzer; 28) Integrated Composite Analyzer with Damping Capabilities; 29) Computing Efficiency of Transfer of Microwave Power; 30) Program Calculates Power Demands of Electronic Designs; 31) Cost-Estimation Program; 32) Program Estimates Areas Required by Electronic Designs; 33) Program to Balance Mapped Turbopump Assemblies; 34) BiblioTech; 35) Controlling Mirror Tilt With a Bimorph Actuator; 36) Burst-Disk Device Simulates Effect of Pyrotechnic Device; 37) Bearing-Mounting Concept Accommodates Thermal Expansion; 38) Parallel-Plate Acoustic Absorbers for Hot Environments; 39) Adjustable-Length Strut Withstands Large Cyclic Loads; 40) Tool Indicates Contact Angles in Bearing Raceways; 41) Gravity Slides With Magnetic Braking; 42) High-Torque, Lightweight, Pneumatically Driven Wrench for Small Spaces; 43) Device for Testing Compatibility of an O-Ring; 44) Magnetic Heat Pump Containing Flow Diverters; 45) Variable-Tilt Helicopter Rotor Mast; 46) "Beach-Ball" Robotic Rovers; 47) Apparatus Would Measure Temperatures of Ball Bearings; 48) Flexible Borescope for Inspecting Ducts; 49) Texturing Copper To Reduce Secondary Emission of Electrons; 50) Automated Laser Cutting in Three Dimensions; 51) Algorithm Helps Monitor Engine Operation; 52) Flexible Revision of Data-Processing Communications; 53) Software for Managing the Use of Land; 54) Thermal Strap Increases Cryocooling Efficiency; 55) Reversible Nut With Engagement Indication; 56) Control Algorithms for Kinematically Redundant Manipulators; 57) Computed Hydrogen-Flow Splits in a Rocket Engine; 58) Pressure and Thermal Modeling of Rocket Launches; 59) Field of View of a Spacecraft Antenna: Analysis and Software; 60) Digital Controller for Laser-Beam-Steering Subsystem; 61) More About Beam-Steering Subsystem for Laser Communication; 62) Digital Controller for Laser-Beam-Steering Subsystem: Part 2; 63) Interface Circuit Board for Space-Shuttle Communications; 64) Automated Planning of Spacecraft Telecommunications; 65) Artifacts of Spectral Analysis of Instrument Readings; 66) Neural-Network Controller for Vibration Suppression; 67) Adaptive Finite-Element Computation in Fracture Mechanics; 68) Attitude Control for the Cassini Spacecraft; 69) Analytical Model for Fluid Dynamics in a Microgravity Environment; 70) Study of Rocket-Engine Joints Bonded by NVCU/NARloy-Z; 71) Improved Silicon Nitride for Advanced Heat Engines; 72) Parameters for Welding Aluminum/Lithium Alloys; 73) Lightweight Composite Intertank Structure; 74) Foil Patches Seal Small Vacuum Leaks; 75) Data Base on Cables and Connectors; 76) Effect of Clock Mode on Radiation Hardnessf an ADC; and 77) Fault-Tolerant Control for a Robotic Inspection System.

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Performance of a Multifunctional Space Evaporator-Absorber-Radiator (SEAR)

The Space Evaporator-Absorber-Radiator (SEAR) is a nonventing thermal control subsystem that combines a Space Water Membrane Evaporator (SWME) with a Lithium Chloride Absorber Radiator (LCAR). The LCAR is a heat pump radiator that absorbs water vapor produced in the SWME. Because of the very low water vapor pressure at equilibrium with lithium chloride solution, the LCAR can absorb water vapor at a temperature considerably higher than the SWME, enabling heat rejection sufficient for most EVA activities by thermal radiation from a relatively small area radiator. Prior SEAR prototypes used a flexible LCAR that was designed to be installed on the outer surface of a portable life support system (PLSS) backpack. This paper describes a SEAR subsystem that incorporates a very compact LCAR. The compact, multifunctional LCAR is built in the form of thin panels that can also serve as the PLSS structural shell. We designed and assembled a 2 ft² prototype LCAR based on this design and measured its performance in thermal vacuum tests when supplied with water vapor by a SWME. These tests validated our models for SEAR performance and showed that there is enough area available on the PLSS backpack shell to enable rejection of metabolic heat from the LCAR. We used results of these tests to assess future performance potential and suggest approaches for integrating the SEAR system with future space suits.

Izenson, Michael G.↗

Tribology of Polymer Matrix Composites (PMCs) Fabricated by Additive Manufacturing (AM)

The integral process of depositing thin layers of material, one after another, until the designed component is created is collectively referred to as Additive Manufacturing (AM). Fused deposition process (FDP) is a type of AM where feedstock is extruded into filaments which then are deposited by 3D printing, and the solidification occurs during cooling of the melt. Currently, complex structures are being fabricated by commercial and open source desktop 3D printers. Recently, metal powder containing composite filaments based on polylactic acid (PLA) and acrylonitrile butadiene styrene (ABS) have emerged, which could be utilized for multifunctional applications. For further deployment in the field, especially for aerospace and ground-based applications, it is critical to understand the tribological behavior of 3D printed materials. In this presentation, we will report the tribological behavior of different polymer matrix composites fabricated by fused deposition process. These results will be compared with the base polymer systems. During this study, the tribological behavior of all the samples will be evaluated with tab-on-disc method and compared for different metallic powder reinforcements.

additive manufacturing↗

A Shaftless Magnetically Levitated Multifunctional Spacecraft Flywheel Storage System

Presently many types of spacecraft use a Spacecraft Attitude Control System (ACS) with momentum wheels for steering and electrochemical batteries to provide electrical power for the eclipse period of the spacecraft orbit. Future spacecraft will use Flywheels for combined use in ACS and Energy Storage. This can be done by using multiple wheels and varying the differential speed for ACS and varying the average speed for energy storage and recovery. Technology in these areas has improved since the 1990s so it is now feasible for flywheel systems to emerge from the laboratory for spacecraft use. This paper describes a new flywheel system that can be used for both ACS and energy storage. Some of the possible advantages of a flywheel system are: lower total mass and volume, higher efficiency, less thermal impact, improved satellite integration schedule and complexity, simplified satellite orbital operations, longer life with lower risk, less pointing jitter, and greater capability for high-rate slews. In short, they have the potential to enable new types of missions and provide lower cost. Two basic types of flywheel configurations are the Flywheel Energy Storage System (FESS) and the Integrated Power and Attitude Control System (IPACS).

Stevens, Ken↗

Electrically Driven Thermal Management: Flight Validation, Experiment Development, Future Technologies

Electrically Driven Thermal Management is an active research and technology development initiative incorporating ISS technology flight demonstrations (STP-H5), development of Microgravity Science Glovebox (MSG) flight experiment, and laboratory-based investigations of electrically based thermal management techniques. The program targets integrated thermal management for future generations of RF electronics and power electronic devices. This presentation reviews four program elements: i.) results from the Electrohydrodynamic (EHD) Long Term Flight Demonstration launched in February 2017 ii.) development of the Electrically Driven Liquid Film Boiling Experiment iii.) two University based research efforts iv.) development of Oscillating Heat Pipe evaluation at Goddard Space Flight Center.

Thermal Control Multifunctional Hardware↗

Advanced Embedded Active Assemblies for Extreme Space Applications

This work describes the development and evaluation of advanced technologies for the integration of electronic die within membrane polymers. Specifically, investigators thinned silicon die, electrically connecting them with circuits on flexible liquid crystal polymer (LCP), using gold thermo-compression flip chip bonding, and embedding them within the material. Daisy chain LCP assemblies were thermal cycled from -135 to +85degC (Mars surface conditions for motor control electronics). The LCP assembly method was further utilized to embed an operational amplifier designed for operation within the Mars surface ambient. The embedded op-amp assembly was evaluated with respect to the influence of temperature on the operational characteristics of the device. Applications for this technology range from multifunctional, large area, flexible membrane structures to small-scale, flexible circuits that can be fit into tight spaces for flex to fit applications.

lead bonding↗

Recent activities within the Aeroservoelasticity Branch at the NASA Langley Research Center

The objective of research in aeroservoelasticity at the NASA Langley Research Center is to enhance the modeling, analysis, and multidisciplinary design methodologies for obtaining multifunction digital control systems for application to flexible flight vehicles. Recent accomplishments are discussed, and a status report on current activities within the Aeroservoelasticity Branch is presented. In the area of modeling, improvements to the Minimum-State Method of approximating unsteady aerodynamics are shown to provide precise, low-order aeroservoelastic models for design and simulation activities. Analytical methods based on Matched Filter Theory and Random Process Theory to provide efficient and direct predictions of the critical gust profile and the time-correlated gust loads for linear structural design considerations are also discussed. Two research projects leading towards improved design methodology are summarized. The first program is developing an integrated structure/control design capability based on hierarchical problem decomposition, multilevel optimization and analytical sensitivities. The second program provides procedures for obtaining low-order, robust digital control laws for aeroelastic applications. In terms of methodology validation and application the current activities associated with the Active Flexible Wing project are reviewed.

Noll, Thomas E.↗

Recent activities within the aeroservoelasticity branch at the NASA Langley Research Center

The objective of research in aeroservoelasticity at the NASA Langley Research Center is to enhance the modeling, analysis, and multidisciplinary design methodologies for obtaining multifunction digital control systems for application to flexible flight vehicles. Recent accomplishments are discussed, and a status report on current activities within the Aeroservoelasticity Branch is presented. In the area of modeling, improvements to the Minimum-State Method of approximating unsteady aerodynamics are shown to provide precise, low-order aeroservoelastic models for design and simulation activities. Analytical methods based on Matched Filter Theory and Random Process Theory to provide efficient and direct predictions of the critical gust profile and the time-correlated gust loads for linear structural design considerations are also discussed. Two research projects leading towards improved design methodology are summarized. The first program is developing an integrated structure/control design capability based on hierarchical problem decomposition, multilevel optimization and analytical sensitivities. The second program provides procedures for obtaining low-order, robust digital control laws for aeroelastic applications. In terms of methodology validation and application the current activities associated with the Active Flexible Wing project are reviewed.

Noll, Thomas↗

The New Millenium Program: Serving Earth and Space Sciences

NASA has exciting plans for space science and Earth observations during the next decade. A broad range of advanced spacecraft and measurement technologies will be needed to support these plans within the existing budget and schedule constraints. Many of these technology needs are common to both NASA's Office of Earth Science (OES) and Office of Space Sciences (OSS). Even though some breakthrough technologies have been identified to address these needs, project managers have traditionally been reluctant to incorporate them into flight programs because their inherent development risk. To accelerate the infusion of new technologies into its OES and OSS missions, NASA established the New Millennium Program (NMP). This program analyzes the capability needs of these enterprises, identifies candidate technologies to address these needs, incorporates advanced technology suites into validation flights, validates them in the relevant space environment, and then proactively infuses the validated technologies into future missions to enhance their capabilities while reducing their life cycle cost. The NMP employs a cross-enterprise Science Working Group, the NASA Enterprise science and technology roadmaps to define the capabilities needed by future Earth and Space science missions. Additional input from the science community is gathered through open workshops and peer-reviewed NASA Research Announcement (NRAs) for advanced measurement concepts. Technology development inputs from the technology organizations within NASA, other government agencies, federally funded research and development centers (FFRDC's), U.S. industry, and academia are sought to identify breakthrough technologies that might address these needs. This approach significantly extends NASA's technology infrastructure. To complement other flight test programs that develop or validate of individual components, the NMP places its highest priority on system-level validations of technology suites in the relevant space environment. This approach is not needed for all technologies, but it is usually essential to validate advanced system architectures or new measurement concepts. The NMP has recently revised its processes for defining candidate validation flights, and selecting technologies for these flights. The NMP now employs integrated project formulation teams, 'Which include scientists, technologists, and mission planners, to incorporate technology suites into candidate validation flights. These teams develop competing concepts, which can be rigorously evaluated prior to selection for flight. The technology providers for each concept are selected through an open, competitive, process during the project formulation phase. If their concept is selected for flight, they are incorporated into the Project Implementation Team, which develops, integrates, tests, launches, and operates the technology validation flight. Throughout the project implementation phase, the Implementation Team will document and disseminate their validation results to facilitate the infusion of their validated technologies into future OSS and OES science missions. The NMP has successfully launched its first two Deep Space flights for the OSS, and is currently implementing its first two Earth Orbiting flights for the OES. The next OSS and OES flights are currently being defined. Even though these flights are focused on specific Space Science and Earth Science themes, they are designed to validate a range of technologies that could benefit both enterprises, including advanced propulsion, communications, autonomous operations and navigation, multifunctional structures, microelectronics, and advanced instruments. Specific examples of these technologies will be provided in our presentation. The processes developed by the NMP also provide benefits across the Space and Earth Science enterprises. In particular, the extensive, nation-wide technology infrastructure developed by the NMP enhances the access to breakthrough technologies for both enterprises.

Li, Fuk K.↗

On Multifunctional Collaborative Methods in Engineering Science

Multifunctional methodologies and analysis procedures are formulated for interfacing diverse subdomain idealizations including multi-fidelity modeling methods and multi-discipline analysis methods. These methods, based on the method of weighted residuals, ensure accurate compatibility of primary and secondary variables across the subdomain interfaces. Methods are developed using diverse mathematical modeling (i.e., finite difference and finite element methods) and multi-fidelity modeling among the subdomains. Several benchmark scalar-field and vector-field problems in engineering science are presented with extensions to multidisciplinary problems. Results for all problems presented are in overall good agreement with the exact analytical solution or the reference numerical solution. Based on the results, the integrated modeling approach using the finite element method for multi-fidelity discretization among the subdomains is identified as most robust. The multiple method approach is advantageous when interfacing diverse disciplines in which each of the method's strengths are utilized.

Ransom, Jonathan B.↗

Computationally Guided Design of Polymer-Coated Microparticles as Reusable Materials

Long-duration space exploration missions and sustained lunar or Martian surface operations present greater demands for multifunctional and reusable materials. By scaling down the amount of material to be launched from Earth, both mission cost and risk can be reduced. In this regard, leveraging in-space manufacturing capabilities with reusable feedstock materials is an attractive option, as it will allow for articles to be generated on demand, utilized, and then recycled for additional use. NASA’s Enabling Sustained Presence Using Recyclables (ESPUR) project aims to develop reusable materials using polymer-coated microparticles that are bonded via reversible Diels-Alder reactions, where only modest heat is needed to trigger the reverse reaction and enable reuse. For proof-of-concept demonstration, research is currently focused on the fabrication of epoxy microparticles that contain a copoly(carbonate urethane) coating with maleimide and furan functionalities. Here, we discuss the integration of computational materials modeling approaches to help navigate the large design space in this development effort. We perform molecular dynamics (MD) simulations with atomistic and coarse-grained models of the copolymer, which allow us to evaluate the effects of design parameters like the molecular weight and composition on the molecular interactions and chain dynamics. We show how the properties change with the reversible bonds. We also leverage discrete element method (DEM) simulations to assess how microparticle design parameters like the size ratio and volume fraction can be tuned to increase the packing density and number of microparticle contacts to improve the mechanical properties. Our results demonstrate how computational tools can be used in close collaboration with experimental efforts to accelerate material design.

reusable materials↗