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NASA NTRS2012

XHAB 2012 Final Report Habitat Demonstration Unit Lite

The University of Maryland Space Systems Laboratory (SSL) was awarded a NASA X-Hab 2012 grant for the design and construction of a new Earth analogue habitat for habitability research. This work builds on the past ECLIPSE and X-Hab projects at the SSL, by combining these elements with a new habitat module in order to create a single research platform for habitability studies. The “Crew Habitat Evaluator for Long-duration Orbital, Near-earth, and Interplanetary Applications” (CHELONIA) will deliver a much more flexible architecture than the previously developed mock-ups, allowing facilitating faster modification of the interior layouts and available total volume. This will enable the investigators to evaluate crew assessments and task performance as a function of the interior layout, functional area allocation and total available volume. This paper documents the design of this new infrastructure, and includes the details of the manufacturing of a new habitat mock-up module and modifications to the existing elements. The paper also includes a brief discussion of possible future research goals. Initial layouts are implemented using foam-core volumetric mock-ups for internal equipment and outfitting. These low fidelity mock-ups constitute a “library” that will allow a very rapid evaluation of a multitude of layouts. CHELONIA is also suitable for higher fidelity functional mock-ups, as well as short to medium-duration mission simulations. This new facility will enable the examination of habitat layouts for both partial gravity and microgravity environments. While partial gravity systems will be easily evaluated with the habitat currently in development, microgravity subsystems will be studied by utilizing low fidelity volumetric neutral buoyancy mock-ups in order to determine if commonality in the design for these two environments is appropriate. Finally, this new facility is being integrated into the SSL Moonyard planetary surface simulation center. The Moonyard simulates a planetary surface by means of a large sandbox, and is used primarily for rover field trials and suit systems evaluation. This new facility will be a prime element in future Earth analog simulations at the University of Maryland in support of NASA exploration objectives.

Kevin Davis↗

NASA NTRSDate not supplied

Comparing 3D and 2D CFD for Mars Helicopter Ingenuity Rotor Performance Prediction

Single and coaxial rotor performance simulations for the Mars Helicopter Ingenuity rotor are performed for representative Mars atmospheric conditions. Analyses are presented using both a high-fidelity 3D CFD model of the rotor and 2D CFD models of the airfoil sections for comprehensive analyses that use CAMRADII (Comprehensive Analytical Model of Rotorcraft Aerodynamics and Dynamics). When available, the airfoil performance calculations are generated using a numerical approach identical to that used in the high-fidelity 3D model, allowing for a direct comparison between the approaches. Experimental data from a validation campaign to explore higher thrust from an Ingenuity rotor is provided to substantiate a discussion on the simulation fidelity required for both coaxial and single rotor performance predictions. The data is in support of the Sample Recovery Helicopter (SRH) element that serves as the primary backup for tube retrieval as part of the Mars Sample Return (MSR) Campaign. Insights on modeling turbulence at low Reynolds numbers and its influence on the rotor figure of merit are discussed. Key rotor performance metrics are compared. A detailed investigation into differences between 2D and 3D rotor performance predictions, spanwise loading, and rotor stall behavior is included.

Mars Helicopter↗

NASA NTRSDate not supplied

The Influence of Material Characterization on Thermal Loads Development and Flight Vehicle Design

The thermal management team faces a significant challenge to meet the aggressive thermal loading associated with hypersonic flight. Design strategies require the involvement of many engineering disciplines, as each must design their respective subsystem and then interface with all remaining subsystems to successfully close the vehicle design space. High fidelity thermal solid models will capture the variation in material properties and the effects of chemical reactions associated with hypersonic flight. Selection of the best materials for the mission will be based upon computational fluid dynamics and thermal modeling results. To enhance the probability for success, it is recommended that frequent communication occur between the thermal modeler and the materials scientist regarding design strategies and modeling assumptions. Early in the design process, lower fidelity modeling will be used to narrow the trade space. As promising designs are found, greater fidelity in the modeling process will be required to address more of the flowfield challenges and the material performance under the prescribed flight profile. The end goal is to select the most technically sound and physically advantageous material for the mission while avoiding overdesigning the vehicle due to modeling or material uncertainties. This presentation seeks to give an overview of the key thermal parameters that are affected through materials engineering, the interactions between a thermal engineer and other disciplines, and an example of the thermal design process, the X-43.

hypersonic↗

NASA NTRSDate not supplied

Multiscale Modeling of Reconstructed Tricalcium Silicate using NASA Multiscale Analysis Tool

To study microstructure characteristics of cementitious materials hydrated in space; previously, cement binder formations were processed under microgravity conditions and was further compared against ground-based experiments. For accurate estimation of process-structure-property linkage, particularly on samples hydrated in the microgravity environment, it is desired to have a high-fidelity volumetric representation of the microstructure. However, owing to small sample size and high porosity of the space-returned samples, conventional experimental characterization techniques are not viable. Hence, a deep learning-based reconstruction algorithm was employed to obtain high fidelity 3D volumes from sparse high resolution 2D Scanning Electron Microscopy (SEM) images, as inputs to micromechanics-based modeling. This machine learning-based reconstruction methodology validated against low-order statistical descriptors, captured the microstructural topology of both sample types (ground, 1g and microgravity, μg). Due to the lack of gravity, hydration products of the samples processed in space differed from those processed-on ground. Such AI-generated virtual samples were analyzed in a multiscale recursive micromechanics approach using the NASA Multiscale Analysis Tool (NASMAT). Here, we present a methodology to rapidly integrate and evaluate these AI-generated volumes in NASMAT. The synthesized microstructural volumes are directly employed as Representative Volume Elements (RVEs) to preserve the fidelity (1 pixel = 0.54 m). Invariably, analysis of such largescale problems (5123 voxels) requires huge amount of computational resources. By taking advantage of the NASMAT architecture, we also focused on systematic multiscale integration of these AI-reconstructed virtual volumes to reduce the computational demands. In this work, this methodology is demonstrated on the ground-based, 1g samples. The estimated stiffness value of 15.90 GPa is comparable to experimentally obtained modulus of hydrated tricalcium silicate sample. The workflow presented here paves the way for utilizing the NASMAT tool to perform multiscale analyses of other multi-phase material systems using either 3D virtual datasets synthesized using AI or obtained via micro-CT.

Machine Learning↗

NASA NTRSDate not supplied

Recommended DSMC Collision Model Parameters for Planetary Entry

Hybrid simulation frameworks combining Computational Fluid Dynamics (CFD) and Direct Simulation Monte Carlo (DSMC) are frequently employed to efficiently perform high-fidelity simulations of environments consisting of both continuum and rarified flow. DSMC is a stochastic, particle-based method which solves the fundamental Boltzmann equation and is therefore necessary for high-Knudsen flow where continuum-based assumptions governing CFD break down. However, the DSMC methodology is generally computationally inefficient to model the continuum regime. In a CFD/DSMC hybrid approach, obtaining an accurate, high-fidelity solution hinges on the consistent treatment of transport properties and the thermo-chemical models employed within the two solvers. In principle, in regions where CFD and DSMC are both employed, the same gas mixture under the same conditions should have the same properties, regardless of simulation type. Observed differences should be due to non-equilibrium processes, rather than differences in physical models. The goal of this work is to provide a comprehensive DSMC transport database encompassing the vast majority of known gas species encountered during Earth or other planetary atmospheric entry. This goal is largely possible due to recently performed ab initio quantum chemistry calculations. Combined with other high-fidelity data, the planned database will consist of collision integral data for over 200 neutral and ionized species and over 20000 binary collisions. From these collision integrals, Nelder-Mead optimization is used to compute collision-specific Variable Soft Sphere (VSS) collision model parameters, fitted from 300 K to 20000 K. Initial comparisons of transport properties of relevant equilibrium gas mixtures show great agreement between CFD and DSMC-derived results. The completed database can be readily applied to model binary collisions of any gas mixture containing the included species over the specified temperature range, making it a valuable tool for future planetary probe modeling efforts. An example is shown below in Fig. 1. Equilibrium mixture transport properties for a 35-species mixture composed originally of 10% air and 90% pyrolysis species of a carbon-phenolic ablator material [4] are computed using both fitted VSS Parameters and the original CFD collision integral values. Deviations in computed properties between the two approaches are less than 5% for the entire temperature range.

M. R. Gosma↗

NASA NTRSDate not supplied

Global Sensitivity Analyses for Test Planning with Black-Box Models for Mars Sample Return

This work describes sensitivity analyses performed on complex black-box models used to support experimental test planning under limited resources in the context of the Mars Sample Return program, which aims at bringing to Earth rock and atmospheric samples from Mars. We develop a systematic workflow that allows the analysts to simultaneously obtain quantitative insights on key drivers of uncertainty, on the direction of impact, and the presence of interactions. We apply novel optimal transport-based global sensitivity measures to tackle the multivariate nature of the output. On the modeling side, we apply multi-fidelity techniques that leverage low-fidelity models to speed up the calculations and make up for the limited amount of high-fidelity samples, while keeping these in the loop for accuracy guarantees. The sensitivity analysis reveals insights useful for the analysts to understand the model's behavior and identify the factors to focus on during testing in order to maximize the value of information extracted from them to ensure mission success when limited resources are available.

Giuseppe Cataldo↗

NASA NTRSDate not supplied

Comparison of Exploration Portable Life Support Subsystem (xPLSS) Thermal Modeling to Thermal Vacuum Testing

To support NASA’s goal to return to the Moon through the Artemis mission, the development of an exploration portable life support system (xPLSS) has been conducted at Johnson Space Center (JSC). As part of this development process, a large system level thermal/fluid model of the xPLSS was developed using Thermal Desktop and an in-house human model (METMAN). The xPLSS model was used throughout the design process to predict the performance and temperature of nearly all components within the xPLSS. In the fall of 2023, the design, verification, and testing (DVT) unit of the xPLSS was tested in a thermal vacuum (TVAC) chamber at JSC. This testing consisted of combining the xPLSS with an upper torso of the exploration pressure garment system (xPGS) and simulating five extravehicular activities (EVAs) in extreme thermal conditions (two cold EVAs and three hot EVAs). The data generated in this test series provided system level data of the xPLSS operating in vacuum and at flight-like environmental temperatures for the first time. This data was compared to results output by the xPLSS system model to assess the accuracy of previous analyses and improve the fidelity and accuracy of the xPLSS system model. The comparison between model and test hardware provides valuable insight that will help improve the design and fidelity of next generation space suits. In general, comparison between test data and model data generally showed slightly un-conservative values (model predicting colder temperatures than test in hot environments, and hotter temperatures than test in cold environments). Model assumptions and test assumptions were assessed to understand potential causes of some of these sources in error. Recommendations to improve the fidelity of the xPLSS model were also made based on the results presented in this paper.

xPLSS↗

NASA NTRSDate not supplied

Comparison of Exploration Portable Life Support Subsystem (xPLSS) Thermal Modeling to Thermal Vacuum Testing

To support NASA’s goal to return to the Moon through the Artemis Mission, the development of an Exploration Portable Life Support Subsystem (xPLSS) has been conducted at Johnson Space Center (JSC). As part of this development process, a large system level thermal/fluid model of the xPLSS was developed using Thermal Desktop and an in-house human model (METMAN). The xPLSS model was used throughout the design process to predict the performance and temperature of nearly all components within the xPLSS. In the fall of 2023, the Design, Verification, and Testing (DVT) unit of the xPLSS was tested in a thermal vacuum (TVAC) chamber at JSC. This testing consisted of combining the xPLSS with an upper torso of the Exploration Pressure Garment System (xPGS) and simulating five Extravehicular Activities (EVAs) in extreme thermal conditions (two cold EVAs and three hot EVAs). The data generated in this test series provided system level data of the xPLSS operating in vacuum and at flight-like environmental temperatures for the first time. These data were compared to results output by the xPLSS system model to assess the accuracy of previous analyses and improve the fidelity and accuracy of the xPLSS system model. The comparison between model and test hardware provides valuable insight that will help improve the design and fidelity of next generation space suits. In general, comparison between test data and model data generally showed slightly un-conservative values (model predicting colder temperatures than test in hot environments, and hotter temperatures than test in cold environments). Model assumptions and test assumptions were assessed to understand potential causes of some of these sources in error. Recommendations to improve the fidelity of the xPLSS model were also made based on the results presented in this paper.

xPLSS↗

NASA NTRSDate not supplied

Volumetric Assessment of UPRITE Exercises From Marker-Based Motion Capture

BACKGROUND Lack of volumetric data on full-body movement of exercises presents a challenge to ensuring the fit of crew member’s full range of motion on the International Space Station (ISS). The Upright Proprioception Retention via In-flight Training and Evaluation (UPRITE) is a sensorimotor countermeasure device designed for maintaining crew members’ proprioception in a microgravity environment. A footplate—attached to a static base—rotates in two degrees of freedom (pitch and roll) up to a 20 deg angle. An initial volumetric assessment assuming an upright standing posture produced a cone-like shape with a narrow bottom and wide top. Such general volumetric assessments risk creating an overly conservative volume estimate, taking up more space than is necessary on the already limited interior space of the ISS, and neglecting necessary volume due to oversimplifying assumptions. Rather, higher-fidelity volumetric assessments offer more comprehensive insights in an environment where every area counts. The main objective of this work is to provide the spatial parameters of exercises on the UPRITE such that it is placed on the ISS according to its volumetric demands or that usage is adjusted to fit the available space. METHODS In 2023, a data collection was performed originally to inform loads and dynamics of system use and was recently leveraged for volumetric assessment. Three human subjects representing different body types (~63-76 inches in stature) performed a variety of board manipulations using UPRITE with body weight offload. The test collected the 3D positional data of a modified full-body Plug-in Gait marker set [1] via a 16-camera OptiTrack MoCap system. After processing – filling marker gaps and trimming data – in OptiTrack Motive, the recorded marker location data, which included device markers, was exported to a readable trajectory file. To accurately represent the full volume defining landmarks, additional markers were digitally added to an unscaled Modified Full Body Model [2]. The model was then scaled according to its subject parameters upon which an inverse kinematics analysis was performed. A custom plugin yielded model marker location data files. Volumetric analyses were performed on the recorded trajectory and model trajectory files using a custom Python-built tool that extracted the marker location data and plotted it in a 3D space. Concerned with only the maximum volume of the motion, a 3D convex hull analysis was applied to the plot, extracting the vertices or external points of the eventual 3D CAD output, dubbed aptly as a “volume shell”. This overall approach was based on guidance in a NASA-STD-3001 Technical Brief [3]. RESULTS AND DISCUSSION Batch volumetric assessment on the exercises for each subject was performed, producing high-fidelity volume shells in minimal time. Preliminary results highlighted the value in higher-fidelity volumes based on collected data when possible. For example, revolving a single posture in the cone assessment would not have sufficiently captured a single leg stance; rather, it would need to involve swinging the leg both forward and back. Additional observations and the maximal dimensions of the volumes, including those based on scaled data for ISS anthropometric requirements, will be presented at the Human Research Program Investigator’s Workshop. CONCLUSIONS While this work’s primary objective was for the UPRITE-to-ISS integration, the tool built to conduct this analysis has wide applications for future exercise systems as an informational tool for optimal device placement. The tool and its findings also have implications for exercise device design and spacecraft interior considerations on Gateway, the Lunar Pressurized Rover, and beyond. REFERENCES [1] Bell, C. A., et al. (2023) Recent Improvements and Verification of a Full Body Model in OpenSim. NASA Human Research Program Investigator’s Workshop. https://ntrs.nasa.gov/citations/20230001080 [2] Lostroscio, K., et al (2023) The Digital Astronaut Simulation. AHFE International Conference on Human Factors in Design, Engineering, and Computing for All. [3] Exercise Overview. (2023) NASA-STD-3001 Technical Brief. https://www.nasa.gov/wp-content/uploads/2023/12/ochmo-tb-031-exercise-overview.pdf?emrc=9d454c?emrc=9d454c

L D Quinto↗

NASA NTRSDate not supplied

Investigations of an Aeroelastic Optimization Benchmark Problem with MPhys and FUN3D

High-fidelity aeroelastic optimization capabilities are becoming more common in recent years. In this field, researchers typically present results on the design problems of greatest interest to them. The lack of consistency with respect to baseline configurations, design variables, objectives and constraints, etc., makes it difficult to compare approaches and creates an obstacle for the community to work together to advance the state of the art. The High-Fidelity Aeroelastic Optimization Benchmark Working Group has been established to create and study a series of benchmark aeroelastic optimization problems that the community can utilize to compare methods on the same optimization problem. This paper presents optimization results from NASA Langley Research Center for the first benchmark case of this series with analysis based on MPhys, a multiphysics library for OpenMDAO, and FUN3D, an unstructured computational fluid dynamics suite of tools. For the optimization case presented, it is demonstrated that a progression of increasing aerodynamic model fidelity reduces the wall time required to complete the optimization.

Aeroelasticity↗

NASA NTRSDate not supplied

Acoustic Simulations of Two-stage Fans Behind a Supersonic Inlet

NASA created, validated, and applied a high fidelity simulation toolchain for noise prediction of a fan system for a near-term civilian supersonic aircraft engine. A high fidelity inlet and multistage fan design were acquired as the basis for physics based computational studies. The overall tone noise was computed, which was used to help improve empirical models of fan inlet noise for system analysis purposes. Additional insights were gained during the study of the fan installation details and these are shared in this paper. Both overall amplitudes and variations due to design details should be of interest to engineers tasked with designing quiet fan systems for supersonic commercial aircraft. The outlook for high-fidelity simulations of aft fan noise and installation effects will also be discussed.

fans↗

NASA NTRSDate not supplied

Acoustic Simulations of Two-stage Fans Behind a Supersonic Inlet

fan↗

NASA NTRSDate not supplied

Investigations of an Aeroelastic Optimization Benchmark Problem with MPhys and FUN3D

CFD↗

NASA NTRSDate not supplied

An Analysis of Extended Reality Mockups for Use in Verification: Phase 2

NASA commercial providers are increasing their use of Virtual Reality (VR) and Hybrid Reality (HR) technologies in their system development process. The use of these technologies, collectively referred to as Extended Reality (XR) technologies, has been limited to the development phase, but there have been requests to integrate VR and HR mockups into verifications. Verifications require, at minimum, a high-fidelity mockup for activities involving human participation (tests, demonstrations, inspections). HR technology shares many of the strengths but may not share some of the critical shortcomings of VR. Specifically, HR allows for integrating physical objects, such as a suit, which may be critical to evaluating a system. Adopting HR technology still has many of the same challenges as VR. Namely, there is little to no data about the validity of evaluations conducted with HR mockups, an established process, or criteria for evaluating the appropriateness of HR mockups. Because verifications are final and only need to happen once, HR mockups must be adequately vetted before being approved for use in verifications. Further hindering the adoption of these technologies is the lack of consensus on what constitutes a high-fidelity XR mockup. Even for physical mockups, there are guidelines and common criteria, but nothing has been formalized. Discussion about when an XR mockup can be used would be greatly helped by clearly defining what a high-fidelity XR mockup is and how it might be measured. The team will engage with relevant stakeholders to learn more about the benefits and challenges of adopting hybrid reality mockups for verification. The team will build upon work from Phase 1 by maturing a framework to guide decisions for evaluating XR mockups for use in verifications. The team will also conduct experimental studies to evaluate advantages and tradeoffs of hybrid/mixed reality relative to physical and virtual reality mockups. Finally, data from Phase 1 and Phase 2 will be synthesized into a set of best practices for developing and validating XR mockups for verification. We will highlight the work conducted to date in Phase 2. We will present the status of the XR for Verification Framework, a summary of best practices identified thus far, and give a synopsis of future work.

verification testing↗

NASA NTRSDate not supplied

Accelerating SNP Development with Radiation Source Approximations for Far-Field Environment Modeling

The successful development and deployment of space nuclear power and propulsion technology requires a high-fidelity, efficient means of modeling ex-core radiation fields. Monte Carlo particle transport codes provide enable the highest level of fidelity in radiation field modeling but are inefficient for modeling ex-core radiation without modification. This paper details the development of an approach to ex-core radiation field modeling that maintains the fidelity of a Monte Carlo transport approach without sacrificing computational efficiency. This approach is based on recent improvements to an existing Monte Carlo transport acceleration technique known as surface source banking. As the transport of many particles is required to ensure adequate uncertainty in far field transport, analytical reconstruction techniques are employed to represent surface source banks as sampleable series of distributions in particle phase from which an arbitrarily large number of particles can be generated and simulated. All steps of this approach are incorporated into an AMA model to test both the underlying mathematics of the analytical source reconstruction process, as well as the relevance of the technique as a whole towards SNP applications. These tests demonstrated that this approach is capable of accelerating far-field radiation modeling in SNP-relevant scenarios by factors of at least nine over purely eigenvalue-based scenarios without significantly sacrificing simulation accuracy.

Surface Source Banking↗

NASA NTRS2026

Mathematical Model of a Regenerative Fuel Cell for System Optimization

This thesis developed a system-level optimization model of a regenerative fuel cell (RFC) system for long-duration, off-world energy storage applications. Prior RFC design studies have typically been limited to reduced parameter sets and simplified constraints due to computational limitations relative to the number of relevant degrees of freedom. As a result, important nonlinear interactions between subsystems have not been fully captured. This work began to address that gap by developing a higher-fidelity, nonlinear optimization framework that incorporates a broader set of design variables and coupled constraints, enabling a multidimensional model that captures the coupled behavior of RFC subsystems and demonstrates the feasibility of applying optimization to such systems. An expanded system-level optimization approach was established that captures interactions between electrochemical performance, structural requirements, and storage design. This enabled a more comprehensive evaluation of trade-offs than conventional formulations. The model integrates four coupled subsystems: a fuel cell, an electrolyzer, reactant gas, and high-pressure storage tanks, and was formulated to accommodate a wide range of mission parameters, including operational time and required output power. It incorporates constraints on available solar array power, reactant mass balance between production and consumption, and pressure-dependent storage requirements. To enable reliable convergence, the optimization problem was reformulated to reduce dimensionality and improve numerical stability, with subsystem models organized for efficient evaluation. Problem dimensionality was reduced by consolidating lower-level design variables into higher-level representative quantities, and subsystem behavior was evaluated within the optimization loop. A multi-start initialization strategy was employed to mitigate sensitivity to local minima and improve solution quality, while nonlinear relationships were solved using robust numerical methods. The results showed that convergence was achieved across a range of required output power values. Specific energy reached a maximum at a critical mission power level, where the electrolyzer power matched the available solar input and operated near its voltage and current density limits. Beyond this point, further increases in required power resulted in less mass-efficient operation, increasing total system mass and reducing overall performance. The developed model represents an advancement in RFC system-level optimization by enabling analysis of a broader and more tightly coupled design space than previous considerations. While convergence behavior and computational cost remain challenges, the methods introduced improve solvability and allow inclusion of additional design variables with minimal loss of physical fidelity. However, the numerical results should not be interpreted as definitive design recommendations, as the model includes simplifying assumptions and omits several higher-order effects. Future work should extend this framework by incorporating additional subsystems and loss mechanisms, such as thermal management, parasitic power consumption, and reactant losses, to improve fidelity and ensure more representative design conclusions.

Electrochemistry↗

NASA NTRSDate not supplied

Multiscale Modeling of Thermoplastics Using Atomistic-informed Micromechanics

A multiscale model was developed for predicting the thermoelastic behavior of semi-crystalline thermoplastic materials for composite aerospace applications. At the highest scale containing the semi-crystalline spherulite in an amorphous matrix, the generalized method of cells, or high fidelity method of cells, was used to perform the homogenization calculations to obtain the effective properties. Models were developed assuming a cubic, or spherical shape, for the spherulite to understand if the morphology of the spherulite affects the effective thermoelastic properties. The generalized method of cells was used to model at the repeating unit cells at the subscales of the microstructure including the lamellae stacks and granular crystal blocks. The scales are integrated using the multiscale micromechanics method in the NASA Multiscale Analysis Tool. Data from molecular dynamics simulations were used as inputs for the amorphous and crystalline constituents. Convergence studies were performed to determine the best level of discretization for the repeating unit cell at the highest scale. Effective Young’s modulus, shear modulus, Poisson’s ratio, coefficient of thermal expansion, and thermal conductivity were predicted for polyether ether ketone and polyether ketone ketone, and very good agreement between the model utilizing the cubic spherulite and the experimental data, where available, was observed for polyether ketone ketone. Normalization of the data for the bulk polyether ketone ketone, against amorphous data, improved the predictions as compared to experimental data. Overall, the high fidelity method of cells predicted a stiffer response then the generalized method of cells as the crystallinity was increased. The shape of the spherulite had a minimal effect on the predicted bulk properties of the polymers.

thermoplastics↗

NASA NTRS2024

Multiscale Modeling of Thermoplastics Using Atomistic-informed Micromechanics

A multiscale repeating unit cell model of a single spherulite containing four disparate length scales was developed to predict the thermoelastic behavior of semicrystalline thermoplastic materials for composite aerospace applications. The continuum level scales were fully coupled and modeled using the generalized method of cells and the high fidelity generalized method of cells micromechanics theories. Data from molecular dynamics simulations were used as inputs for the amorphous and crystalline constituents in the multiscale continuum models. Effective Young’s modulus, shear modulus, Poisson’s ratio, coefficient of thermal expansion, and thermal conductivity were predicted for polyether ether ketone and polyether ketone ketone, showing good agreement with the available experimental data from the open literature. Moreover, it is shown that predicted properties are fairly insensitive to the fidelity of the micromechanics model used at the highest continuum scale or the assumed shape of the spherulite.

thermoplastics↗