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All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Flammability, Odor, Offgassing, and Compatibility Requirements and Test Procedures for Materials in Environments that Support Combustion

This handbook establishes NASA program requirements for evaluation, testing, and selection of materials to preclude unsafe conditions related to flammability, odor, offgassing, and fluid compatibility. Materials intended for use in space vehicles, specified test facilities, and specified ground support equipment (GSE) must meet the requirements of this document. Additional materials performance requirements may be specified in other program or NASA center specific documentation. Responsible NASA centers materials organizations must include applicable requirements of this document in their materials control programs. Materials used in habitable areas of spacecraft, including the materials of the spacecraft, stowed equipment, and experiments, must be evaluated for flammability, odor, and offgassing characteristics. All materials used in other areas must be evaluated for flammability characteristics. In addition, materials that are exposed to liquid oxygen (LOX), gaseous oxygen (GOX), and other reactive fluids' must be evaluated for compatibility with the fluid in their use application. Materials exposed to pressurized breathing gases also must be evaluated for odor and offgassing characteristics. The worst-case anticipated use environment (most hazardous pressure, temperature, material thickness, and fluid exposure conditions) must be used in the evaluation process. Materials that have been shown to meet the criteria of the required tests are acceptable for further consideration in design. Whenever possible, materials should be selected that have already been shown to meet the test criteria in the use environment. Existing test data are compiled in the NASA Marshall Space Flight Center (MSFC) Materials and Processes Technical Information System (MAPTIS) and published periodically as the latest revision of a joint document with Johnson Space Center (JSC), MSFC-HDBK-527/JSC 09604. MAPTIS can be accessed by computer datalink. Systems containing materials that have not been tested or do not meet the criteria of the required tests must be verified to be acceptable in the use configuration by analysis or testing. This verification rationale must be documented and submitted to the responsible NASA center materials organization for approval.

Source record↗
NASA NTRSDate not supplied

Establishing and Maintaining the Digital Thread of Additively Manufactured Materials and Applications

Additive Manufacturing (AM) and Integrated Computational Materials Engineering (ICME) are complementary enabling technologies for design and manufacturing of “fit-for-purpose” materials. Both technologies will impact rapid material design, reduction in cost- and time-to-market for new applications, and discovery and implementation of new materials. An ICME approach to design, however, requires experimentally validated material models at multiple length and time scales, an integrated framework that can connect analysis tools with one another to ensure the digital thread of an application is maintained, and the manufacturing (e.g., AM) capability to leverage processing-structure-property-performance (PSPP) relationships to achieve spatially varying material properties where desired. AM enables the implementation of the design of an optimized, spatially varying microstructure through careful selection of the processing parameters used during an additively manufactured build. In order to establish these PSPP relations, a large amount of data is necessary, and that data must be properly captured, analyzed and maintained in an information management system that can establish the required traceability between various aspects of the design process to ensure an application’s digital thread is maintained (from design to end of life). Such an information management system must be able to capture feedstock material pedigree, resulting microstructure from various build parameters, subsequent mechanical properties derived from testing, developed material models, and enable spatial variations in material assignment in an engineering application. Furthermore, the information management system should be easily integrated with traditionally engineered materials in a single, centralized platform to enable an ICME optimization tool to explore both types of manufacturing processes. At NASA GRC, a robust, 21st century materials information management system has been previously developed with a focus towards enabling ICME. In this work, GRC’s ICME schema is extended to accommodate additively manufactured materials, enabling storage of both traditionally and additively manufactured materials in the same construct. The methodology for properly capturing additively manufactured materials across the entire material lifecycle is presented, following the previously established database best practices, as a potential framework for establishing PSPP relationships for additively manufactured materials and applying them to engineering applications.

Data management↗
DOE OSTI2025

An Investigation of Thermal Properties of 2D Materials [Dissertation]

Studying the thermal conductivity of 2D materials is important due to the applications of 2D materials in fields such as thermal management, thermoelectricity, renewable energy, and sensors. As such, measurements of the thermal conductivity of these 2D materials become important to measure. Thermal conductivity is often difficult to measure for 2D materials due to their atomically thin nature and many experimental methods for doing so requiring contact with the sample, which can alter the thermal properties. A non-contact method for calculating the thermal conductivity of 2D materials supported on substrates in order to model the thermal conductivity of 2D materials for devices, is proposed and experimentally performed in this dissertation. The optothermal Raman technique is a useful non-contact diagnostic technique useful in determining the thermal conductivity of 2D materials. The optothermal Raman typically does not account for heat losses due to convection or radiation or substrate resistance, which are shown to be important factors to consider when developing an optothermal Raman model. Additionally, the calculation of the interfacial thermal conductance between the bottom surface of the sample and the top surface of the substrate, plays an important role in determining the final value of the thermal conductivity of a supported sample, and will yield differing results based on whether or not the conductance is calculated using an approach such as the Diffuse Mismatch Model (DMM) or calculated directly by varying the laser heating profile (usually done by changing the laser objective). This is shown to be the case for both graphene on Ni, graphene on Cu, and SnSe 2 on Cu. In addition to experimentally calculating the thermal conductivity of a 2D material with the optothermal Raman technique, the thermal conductivity of 2D materials can also be calculated using computational methods. The three-phonon method is a method which can be used to simulate phonon scattering processes and determine the thermal conductivity of semiconductors, wherein phonon scattering is the dominant mechanism which determines the thermal conductivity. The three-phonon method uses relaxation times for phonon scattering with other phonons, electrons, and other material system elements, such as isotopes or material defects, in order to create a single-mode relaxation time approximation (SMRTA), which is used to calculate the final value of the thermal conductivity. An important consideration when determining the thermal conductivity of a 2D material using this method is the device geometry, which is reflected in this work as the phonon-boundary scattering relaxation time. This inclusion is important along with the inclusion of phonon-electron scattering in accurately determining the thermal conductivity of a 2D material. In both the optothermal Raman experiments and the three-phonon method computations, strain is shown to have a demonstrable effect on the thermal conductivity of 2D materials. When a 1.1% strain was applied to the mechanical properties of SnSe, the three-phonon processes yielded a lower thermal conductivity than the no-strain case. For the optothermal Raman experiments, the strain induced in the Cu substrate and transferred to a single-layer graphene (SLG) sample yields a trend where the thermal conductivity of the SLG decreases with respect to strain applied. In the case where the interfacial thermal conductance was calculated directly, the conductance increased with respect to strain applied. This presents strain as a reliable and viable method for tuning the thermal properties of 2D materials for device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

NaSICON-type materials for lithium-ion battery applications: Progress and challenges

Lithium-ion batteries (LIBs) are widely used in electric vehicles, energy storage, smart grids, and portable devices due to their high average output voltage and energy density. NaSICON-type materials have been identified as potential candidates for electrode and solid electrolyte materials for LIBs due to their 3D framework, which contains Li + ions, excellent ionic conductivity, and thermal stability. NaSICON-type materials have a 3D framework and a fast Li + diffusion pathway, making them suitable for use in LIBs. However, their application as solid electrolytes is limited due to poorer ionic conductivity and interfacial stability compared to commercialized liquid electrolytes. Furthermore, their use as electrode materials is restricted by their low electronic conductivity. Here, this review provides an overview of NaSICON-type materials, including their common structure, Li + diffusion mechanism, and preparation strategies. The article also discusses the application and modification strategies of NaSICON-type materials for LIBs, classifying them as anode materials, cathode materials, and solid electrolyte materials. Additionally, the potential use of NaSICON-type materials as modification materials for cathode materials for LIBs is briefly mentioned. Building on previous work on NaSICON-type materials, we propose potential areas for further development and wider applications of these materials in LIBs.

25 ENERGY STORAGE↗
NASA NTRS1995

NASA LaRC Hazardous Material Pharmacy

In 1993-1994 the Office of Environmental Engineering contracted SAIC to develop NASA Langley's Pollution Prevention (P2) Program. One of the priority projects identified in this contract was the development of a hazardous waste minimization (HAZMIN)/hazardous materials reutilization (HAZMART) program in the form of a Hazardous Materials Pharmacy. A hazardous materials pharmacy is designed to reduce hazardous material procurement costs and hazardous waste disposal costs. This is accomplished through the collection and reissue of excess hazardous material. Currently, a rarely used hazardous material may be stored in a shop area, unused, until it passes its expiration date. The material is then usually disposed of as a hazardous waste, often at a greater expense than the original cost of the material. While this material was on the shelf expiring, other shop areas may have ordered new supplies of the same material. The hazardous material pharmacy would act as a clearinghouse for such materials. Material that is not going to be used would be turned in to the pharmacy. Other users could then be issued this material free of charge, thereby reducing procurement costs. The use of this material by another shop prevents it from expiring, thereby reducing hazardous waste disposal costs.

Esquenet, Remy↗
NASA NTRS2001

Safer Aviation Materials Tested

A series of thermally stable polymer samples were tested. These materials are called low heat release materials and are designed for aircraft interior decorative materials. The materials are designed to give off a minimum amount of noxious gases when heated, which increases the possibility that people can escape from a burning aircraft. New cabin materials have suitably low heat release so that fire does not spread, toxic chemicals are not given off, and the fire-emergency escape time for crew and passengers is lengthened. These low heat-release materials have a variety of advantages and applications: interiors for ground-based facilities, interiors of space vehicles, and many commercial fire-protection environments. A microscale combustion calorimeter at the Federal Aviation Administration's (FAA) Technical Center tested NASA Langley Research Center materials samples. The calorimeter is shown. A sharp, quantitative, and reproducible heat-release-rate peak is obtained in the microscale heat-release-rate test. The newly tested NASA materials significantly reduced the heat release capacity and total heat release. The thermal stability and flammability behavior of the samples was very good. The new materials demonstrated a factor of 4 reduction in total heat release over ULTEM (a currently used material). This information is provided in the following barchart. In other tests, the materials showed greater than a factor 9 reduction in heat-release capacity over ULTEM. The newly tested materials were developed for low dielectric constant, low color, and good solubility. A scale up of the material samples is needed to determine the repeatability of the performance in larger samples. Larger panels composed of the best candidate materials will be tested in a larger scale FAA Technical Center fire facility. The NASA Glenn Research Center, Langley (Jeff Hinkley), and the FAA Technical Center (Richard Lyon) cooperatively tested these materials for the Accident Mitigation aspects of Fire Prevention under NASA's Aviation Safety Program.

Palaszewski, Bryan A.↗
NASA NTRS2008

Composite Materials for Low-Temperature Applications

Composite materials with improved thermal conductivity and good mechanical strength properties should allow for the design and construction of more thermally efficient components (such as pipes and valves) for use in fluid-processing systems. These materials should have wide application in any number of systems, including ground support equipment (GSE), lunar systems, and flight hardware that need reduced heat transfer. Researchers from the Polymer Science and Technology Laboratory and the Cryogenics Laboratory at Kennedy Space Center were able to develop a new series of composite materials that can meet NASA's needs for lightweight materials/composites for use in fluid systems and also expand the plastic-additive markets. With respect to thermal conductivity and physical properties, these materials are excellent alternatives to prior composite materials and can be used in the aerospace, automotive, military, electronics, food-packaging, and textile markets. One specific application of the polymeric composition is for use in tanks, pipes, valves, structural supports, and components for hot or cold fluid-processing systems where heat flow through materials is a problem to be avoided. These materials can also substitute for metals in cryogenic and other low-temperature applications. These organic/inorganic polymeric composite materials were invented with significant reduction in heat transfer properties. Decreases of 20 to 50 percent in thermal conductivity versus that of the unmodified polymer matrix were measured. These novel composite materials also maintain mechanical properties of the unmodified polymer matrix. These composite materials consist of an inorganic additive combined with a thermoplastic polymer material. The intrinsic, low thermal conductivity of the additive is imparted into the thermoplastic, resulting in a significant reduction in heat transfer over that of the base polymer itself, yet maintaining most of the polymer's original properties. Normal polymer processing techniques can turn these composite materials into unique, custom parts for ground support, Shuttle, and Constellation needs. We fabricated test specimens of the composite and base materials for thermal and mechanical characterization and found that the strength of the composite material at nominal-percentage loading remained relatively unchanged from the base material.

Source record↗
NASA NTRS2005

Materials Control for Aerospace Applications

The distant future of mankind and the ultimate survivability of the human race, as it is known today, will depend on mans' ability to break earthly bonds and establish new territorial positions throughout the universe. Man must therefore be positioned to not only travel to, but also, to readily adapt to numerous and varying environments. For this mass migration across the galaxies nothing is as import to the human race as is NASA's future missions into Low Earth Orbit (LEO), to the moon, and/or Mars. These missions will form the building blocks to eternity for mankind. From these missions, NASA will develop the foundations for these building blocks based on sound engineering and scientific principles, both known and yet to be discovered. The integrity of the program will lead to development, tracking and control of the most basic elements of hardware production: That being development and control of applications of space flight materials. Choosing the right material for design purposes involves many considerations, such as governmental regulations associated with manufacturing operations, both safety of usage and of manufacturing, general material usage requirements, material longevity and performance requirements, material interfacing compatibility and material usage environments. Material performance is subject to environmental considerations in as much as a given material may perform exceptionally well at standard temperatures and pressures while performing poorly under non-standard conditions. These concerns may be found true for materials relative to the extreme temperatures and vacuum gradients of high altitude usage. The only way to assure that flight worthy materials are used in design is through testing. However, as with all testing, it requires both time on schedule and cost to the operation. One alternative to this high cost testing approach is to rely on a materials control system established by NASA. The NASA community relies on the MAPTIS materials control system founded at MSFC and supported by the other NASA Centers. This system is a data bank of all materials used in space flight operations. These materials are rated for several characteristics that are common concerns in high altitude or deep space usage: Odor, off gassing, material fluid compatibility, toxicity, corrosion susceptibility, stress corrosion susceptibility, etc.

Ferguson, Michael↗
DOE OSTI2025

Assessing the hygrothermal performance of bio-based materials in building wall systems

Building envelope systems are crucial in regulating thermal and moisture exchange between interior and exterior environments, accounting for approximately 28 % of building energy consumption in the United States with walls being the primary contributors. Improper selection of building envelope materials can lead to moisture-related issues, reduced resilience, and compromised durability. Hygrothermal performance assessment is a key factor in efficient building design. As such, improving the energy and hygrothermal performance of opaque wall materials, through careful assessment of material choices, is essential to enhancing building resilience, lowering energy costs, and improving occupant comfort. As the building industry seeks new strategies to reduce material energy intensity, bio-based materials emerge as a promising solution. However, their long-term hygrothermal performance in building envelope systems remains underexplored. To fill this gap, this study evaluates the hygrothermal behavior of 13 bio-based materials in residential wall systems across three U.S. climate zones. Laboratory experiments were performed to measure material properties such as density, thermal conductivity, moisture transmission, and sorption isotherms. These data were integrated into the WUFI® simulation tool to assess wall hygrothermal performance in Houston, Baltimore, and Chicago. A three-phase modeling approach was used: (1) baseline residential walls with oriented strand board (OSB) and gypsum board; (2) replacing OSB with bio-based materials; and (3) replacing drywall with bio-based materials. Results showed that the evaluated bio-based materials maintained acceptable moisture thresholds of ≤ 16 % across all climates, confirming their viability as an alternative for current sheathing materials. Furthermore, this study provides a foundation for future research and innovation in material science on the use of certain bio-based materials in high-performance, low energy use residential construction. Ultimately, providing critical data, offering a database of bio-based material properties, and supplying a simulation-based approach will help designers make informed decisions for future efficient building practices.

Bio-based materials↗
DOE OSTI2026

Models and Algorithms for Equilibrium Analysis of Mixed-Material Nucleic Acid Systems

Dynamic programming algorithms within the NUPACK software suite enable analysis of equilibrium base-pairing properties for complex and test tube ensembles containing arbitrary numbers of interacting nucleic acid strands. Currently, calculations are limited to single-material systems that are either all-RNA or all-DNA. Here, to enable analysis of mixed-material systems that are critical for modern applications in vitro, in situ, and in vivo, we develop physical models and dynamic programming algorithms that allow the material of the system to be specified at nucleotide resolution. Free energy parameter sets are constructed for both RNA/DNA and RNA/2'OMe-RNA mixed-material systems by combining available empirical mixed-material parameters with single-material parameter sets to enable treatment of the full complex and test tube ensembles. New dynamic programming recursions account for the material of each nucleotide throughout the recursive process. For a complex with N nucleotides, the mixed-material dynamic programming algorithms maintain the O(N 3 ) time complexity of the single-material algorithms, enabling efficient calculation of diverse physical quantities over complex and test tube ensembles (e.g., complex partition function, equilibrium complex concentrations, equilibrium base-pairing probabilities, minimum free energy secondary structure(s), and Boltzmann-sampled secondary structures) at a cost increase of roughly 2.0-3.5×. The results of existing single-material algorithms are exactly reproduced when applying the new mixed-material algorithms to single-material systems. Accuracy is significantly enhanced using mixed-material models and algorithms to predict RNA/DNA and RNA/2'OMe-RNA duplex melting temperatures from the experimental literature as well as RNA/DNA melt profiles from new experiments. In conclusion, mixed-material analyses can be performed online using the NUPACK web app (www.nupack.org) or locally using the NUPACK Python module.

2′OMe-RNA↗
NASA NTRS1991

Materials sub-panel

The following subject areas are covered: general issues (unique operating/storage environments, adapt existing materials/develop rocket materials, long lead time for new materials, high cost, integration of materials development and manufacturing technology, and availability of materials data); technical issues (materials characterization for operating and storage environments, advanced materials development, availability and dissemination of materials properties, advanced materials tests facilities, fire hazards, and propellants); major objectives (materials characterization, advanced materials development, and materials data base development/maintenance); and candidate programs (materials characterization, advanced materials development, and aerospace materials data base).

Bhat, Bil↗
NASA NTRS2017

MSRR Rack Materials Science Research Rack

The Materials Science Research Rack (MSRR) is a research facility developed under a cooperative research agreement between NASA and the European Space Agency (ESA) for materials science investigations on the International Space Station (ISS). The MSRR is managed at the Marshall Space Flight Center (MSFC) in Huntsville, AL. The MSRR facility subsystems were manufactured by Teledyne Brown Engineering (TBE) and integrated with the ESA/EADS-Astrium developed Materials Science Laboratory (MSL) at the MSFC Space Station Integration and Test Facility (SSITF) as part of the Systems Development Operations Support (SDOS) contract. MSRR was launched on STS-128 in August 2009, and is currently installed in the U. S. Destiny Laboratory Module on the ISS. Materials science is an integral part of developing new, safer, stronger, more durable materials for use throughout everyday life. The goal of studying materials processing in space is to develop a better understanding of the chemical and physical mechanisms involved, and how they differ in the microgravity environment of space. To that end, the MSRR accommodates advanced investigations in the microgravity environment of the ISS for basic materials science research in areas such as solidification of metals and alloys. MSRR allows for the study of a variety of materials including metals, ceramics, semiconductor crystals, and glasses. Materials science research benefits from the microgravity environment of space, where the researcher can better isolate chemical and thermal properties of materials from the effects of gravity. With this knowledge, reliable predictions can be made about the conditions required on Earth to achieve improved materials. MSRR is a highly automated facility with a modular design capable of supporting multiple types of investigations. Currently the NASA-provided Rack Support Subsystem provides services (power, thermal control, vacuum access, and command and data handling) to the ESA developed Materials Science Laboratory (MSL) which accommodates interchangeable Furnace Inserts (FI). Two ESA-developed FIs are presently available on the ISS: the Low Gradient Furnace (LGF) and the Solidification and Quenching Furnace (SQF). Sample-Cartridge Assemblies (SCAs), each containing one or more material samples, are installed in the FI by the crew and can be processed at temperatures up to 1400 C. Once an SCA is installed, the experiment can be run by automatic command or science conducted via telemetry commands from the ground. This facility is available to support materials science investigations through programs such as the US National Laboratory, Technology Development, NASA Research Announcements, and others. TBE and MSFC are currently developing NASA Sample Cartridge Assemblies (SCA's) with a planned availability for launch in 2017.

Reagan, Shawn↗
NASA NTRSDate not supplied

Ground Testing of the MISSE-16 Materials

The harsh space environment imposes very stringent requirements upon spacecraft materials, especially those located on exterior surfaces of space objects in low Earth orbit (LEO). As humankind moves from space exploration to space commercialization, these materials may have to last for 15–20 years without considerable degradation of their optical, electrical, mechanical, and thermal properties. Operational requirements dictate that these materials continue to function according to expectations. Hence, we must understand the effects of the space environment on materials currently in use as well as on untested materials. For the years, the Materials International Space Station Experiment Flight Facility (MISSE-FF) have flown many different materials to investigate the effect of LEO space weather exposure on the performance and durability of materials and devices. The MISSE-16 scientific team members plan to launch fifteen different novel and well-characterized spacecraft-relevant materials to the LEO environment for a duration of six months during the MISSE-16 mission. Changes in spectral reflectivity will be measured throughout the mission as the samples are exposed to the space environment. The same chemical damage the produces changes in optical reflectance also causes changes in numerous other physical properties such as electrical conductivity, mechanical strength, and chemical reactivity. Correlation of the changes in each of these properties as a function of radiation type, flux, and fluence allows various material properties to be inferred from one experimentally tractable measurement: color change. Flying identical test fixtures on the ram, zenith, and wake positions of the MISSE-FF, collecting spectrally resolved images of the materials, and concomitantly measuring the ambient space environment allows deconvolution of the material effects which occur as a result of exposure to neutral atomic oxygen (AO), unfiltered solar ultraviolet (UV) radiation, and electrons. The flight experiment will function as a ground truth reference for our team’s ongoing laboratory-based space weather-material interactions experiments. Comparison of the MISSE-16 data with extensive testing of “flight-duplicate” samples under simulated space weather conditions will enable development of chemical models for prediction of material degradation. This paper discusses preliminary results from the ground test campaign including measurements of UV/VIS/IR reflectance spectra, bidirectional reflectance distribution function (BRDF), surface potential decay, and surface morphology under electron and AO exposure.

Elena A. Plis↗
DOE OSTI2025

Detector Materials Scoping Study: Research and Development Recommendations

Radiation detection materials have a unique role in many nuclear security missions. The variety of different applications requires the use of different materials whose characteristics are determined by the specific application requirements. While baseline capabilities have been established to use radiation detection in these applications, the potential to greatly advance those capabilities still exists through the development of superior radiation detection materials and/or the development of new materials that enable new technologies to be implemented more effectively. In 2024 the Defense Nuclear Nonproliferation Research and Development (DNN R&D) Near Field Detection Portfolio charged a detector materials scoping study, composed of a group of radiation-detection materials subject matter experts, to produce a community-wide consensus view of the current state of radiation materials research and to set recommendations for expanded investment over a ten-year time frame. This scoping study sought to understand and document the landscape of how radiation detection materials are used, what characteristics drive the selection of various materials, and what developments are needed to drive the state of the art. To respond to this charge, the scoping study created three working groups, each focusing on a different topical area in radiation detection materials research - Semiconductor Materials, Inorganic Scintillators and Organic Scintillators - with the task to identify the current state of the art in materials research and to provide mission-relevant research and development recommendations. Each working group was chaired by two members of the project team with widely recognized expertise in the field. Solicitations were sent out to experts at the DOE national laboratories, industry, academia and federal government agencies to participate in these working groups. The working groups met at regular intervals throughout 2024 and early 2025, each delivering a technical roadmap designed to enable the pursuit of R&D more intensely on high-impact materials challenges and detector solutions that are deemed as the greatest strategic value to DNN R&D and its stakeholders. The roadmap is also intended to help communicate recommended programmatic priorities within DNN R&D and across the nonproliferation and research communities.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Updates on the Predictive Materials Modeling Software Tools

Updates on NASA‘s efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. The PMM effort is part of the Entry Systems Modeling (ESM) project under NASA’s Game Changing Development (GCD) program. To reduce the need for extensive testing and accelerate the design cycle process, ESM is developing simulation and modeling tools that enable the characterization of the properties of thermal protection materials and their response to extremely hot plasma. The Porous Microstructure Analysis (PuMA) software has been developed to compute effective material properties and perform material response simulations on digitized microstructures of porous media. PuMA is able to import three-dimensional digital images obtained from X-ray microtomography or to generate artificial microstructures that mimic real materials. PuMA also provides a module for interactive 3D visualizations. Version 3, which was recently released as open-source, includes modules to compute simple morphological properties such as porosity, volume fractions, pore diameter, and specific surface area. Additional capabilities include the determination of effective thermal and electrical conductivity (both radiative and solid conduction - including the ability to simulate local anisotropy for the latter); effective diffusivity and tortuosity from the continuum to the rarefied regime; techniques to determine the local material orientation, as well as mechanical properties (elasticity coefficients), and permeability. Computed properties are then used to inform a macro-scale material response model, such as those implemented in the Porous material Analysis Toolbox based on OpenFOAM (PATO) software developed within ESM. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale, assuming Local Thermal Equilibrium. Recent efforts include the development of a mechanical erosion model as well as a unified model allowing an intrinsic coupling between fluid and material. Comparison to flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI] and Mars 2020 MEDLI2) is critical in order to validate these computational tools. Examples of ablative material response using the code will be presented, including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrated the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains through the use of massively parallel computations.

material modeling↗
NASA NTRSDate not supplied

Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO) [1,2,3]. PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) [4] CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) [5] program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield [6]. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem [7]. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Thermal Protection Systems↗
NASA NTRSDate not supplied

Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO). PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Material Response↗
DOE OSTI2024

TEAMER Technical Support for Aquantis (Materials) (Final Report)

The Aquantis Tidal Power Tug is a unique synthesis of best-available technologies and materials configured as a novel spar vessel to create an optimal platform for tidal stream energy conversion. The Power Tug utilizes an upstream-facing horizontal, 2-bladed rotor. To drive down capital costs and extend life, Aquantis proposes to employ new materials for the blades that are both less expensive than current state-of-the-art materials and are potentially better suited for survival in a submerged, seawater environment. Coupons from a novel geopolymer material will be tested in a load frame to characterize material properties. The Requestor is requesting technical assistance for evaluating mechanical properties of a novel geopolymer material for application in tidal stream energy conversion systems. This work will establish characteristic properties of a geopolymer material under dry and saturated conditions through material coupon testing. Material coupons will be tested to characterize properties including: a) Tensile strength, b) Compression strength, c) Flexural strength, d) Modulus of elasticity, e) Fatigue strength at varying load levels. The types of material tests performed will be guided by characteristics required to validate material properties for use in full-scale structures. Characterization of material properties that consider the demands of a full-scale structure is a necessary step in research and development that can enable the use of geopolymer materials in tidal stream energy conversion systems.

16 TIDAL AND WAVE POWER↗