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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Uncertainty Quantification Framework for Predicting Material Response with Large Number of Parameters: Application to Creep Prediction in Ferritic-Martensitic Steels Using Combined Crystal Plasticity and Grain Boundary Models

This paper presents an uncertainty quantification (UQ) framework for the physics-based model prediction of material response with a large number of parameters. The application problem presented in this work is that of predicting creep in Grade 91 steel at 600°C. The material response is defined with a physically based microstructural model with constitutive equations emulating several observed phenomena in Grade 91 and embodied into an explicit geometry mesoscale finite element model for prior austenite grains and grain boundaries. Creep within the grains and in grain boundaries are represented by crystal plasticity for dislocation motion and a physics-based model for cavity growth and nucleation, respectively. The creep behavior of this material is influenced by several parameters, some of which have a wide range of variation based on experimental data. UQ combined with microstructural modeling can discover the core microstructural causes of experimental variability, leading to improved materials with lower variability in critical long-term material properties. In this study, we investigate the model's uncertainty to identify material properties that may be modified during production to increase creep life and analyze different components of the crystal plasticity model for improvements. For this purpose, a quantity of interest is defined as time to minimum creep rate, which correlates well to the creep failure of the material. A deep neural network model was trained and validated to be used as a surrogate for the finite element model. Then, a variance-based sensitivity analysis is performed on the surrogate model to find the Sobol indices of the input parameters in respect to the output quantity of interest. The Sobol indices are used to reduce the dimensionality of the model. Generalized polynomial chaos expansion is used on the reduced basis models to propagate the uncertainty from the input parameters to the quantity of interest using the deep neural network surrogate model. These results are benchmarked against uncertainty propagation using Monte Carlo simulations. In conclusion, the UQ performed through the reduced basis model captures almost all the uncertainty in the model with significantly fewer simulations, making it possible to perform the UQ directly via simulations with the finite element model rather than surrogate machine-learned models.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Towards the Prediction of the Mars 2020 Heatshield Material Response

Introduction: NASA’s next mission to Mars, the Mars 2020, will use the same heatshield of the Mars Science Laboratory (MSL) for thermal protection during entry, descent and landing. The heatshield is a tiled system made of Phenolic Impregnated Carbon Ablators (PICA) blocks [1]. PICA is a lightweight carbon fiber/polymeric resin material that offers excellent performances for protecting probes during planetary entry. The Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of atmospheric entry and material response. MEDLI recorded, among others, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP). The objective of this work is to compare the thermal response of the MSL heatshield to the MISP flight data. In preparation to Mars 2020 post-flight analysis, the predictive material response capability is benchmarked against MEDLI flight data.

heatshield↗
NASA NTRS2008

PH and Electrochemical Responsive Materials for Corrosion Smart Coating Applications

Corrosion is a costly issue for military operations and civil industries. While most corrosion initiates from localized corrosion form, such as pitting, failure directly caused by localized corrosion is the most dangerous kind, because it is difficult to anticipate and prevent, occurs very suddenly and can be catastrophic. One way of preventing these failures is with a coating that can detect and heal localized corrosion. pH and other electrochemical changes are often associated with localized corrosion, so it is expected that materials that are pH or otherwise electrochemical responsive can be used to detect and control corrosion. This paper will review various pH and electrochemical responsive materials and their potential applications in corrosion smart coatings. Current research results in this field will also be reported.

Li, Wenyan↗
NASA NTRSDate not supplied

The Material Response of PICA-NuSil to a Hypersonic Flow Environment

Phenolic Impregnated Carbon Ablator (PICA) is NASA’s baseline thermal protection system for missions to Mars. PICA is friable; therefore, NuSil ® CV-1144-0 is applied to the surface of flight hardware to mitigate the contamination of spacecraft sensors. NuSil is composed of a polysiloxane resin system that can transform into an oxidation-resistant coating upon heating. Therefore, a pathfinder campaign was conducted at the Hypersonic Materials Environmental Test System (HyMETS) at the NASA Langley Research Center to investigate the material response of instrumented sphere-cone models made from PICA coated with NuSil ® . Analysis of the post-test data is presented and suggests that NuSil ® impacts the material response of test articles subjected to oxidizing atmospheres, as evidenced by a reduction of the measured surface temperature and in-depth temperature response. Finally, a four-step ablation mechanism is proposed based on observations from high-speed video, optical emission spectroscopy, thermal analysis, and post-test surface characterization.

PICA PICA-NuSil Siloxane Silicone↗
NASA NTRS2017

Development of a Three-Dimensional, Unstructured Material Response Design Tool

A preliminary verification and validation of a new material response model is presented. This model, Icarus, is intended to serve as a design tool for the thermal protection systems of re-entry vehicles. Currently, the capability of the model is limited to simulating the pyrolysis of a material as a result of the radiative and convective surface heating imposed on the material from the surrounding high enthalpy gas. Since the major focus behind the development of Icarus has been model extensibility, the hope is that additional physics can be quickly added. This extensibility is critical since thermal protection systems are becoming increasing complex, e.g. woven carbon polymers. Additionally, as a three-dimensional, unstructured, finite-volume model, Icarus is capable of modeling complex geometries. In this paper, the mathematical and numerical formulation is presented followed by a discussion of the software architecture and some preliminary verification and validation studies.

Thermal Protection System↗
NASA NTRS1984

A computer program for predicting nonlinear uniaxial material responses using viscoplastic models

A computer program was developed for predicting nonlinear uniaxial material responses using viscoplastic constitutive models. Four specific models, i.e., those due to Miller, Walker, Krieg-Swearengen-Rhode, and Robinson, are included. Any other unified model is easily implemented into the program in the form of subroutines. Analysis features include stress-strain cycling, creep response, stress relaxation, thermomechanical fatigue loop, or any combination of these responses. An outline is given on the theoretical background of uniaxial constitutive models, analysis procedure, and numerical integration methods for solving the nonlinear constitutive equations. In addition, a discussion on the computer program implementation is also given. Finally, seven numerical examples are included to demonstrate the versatility of the computer program developed.

Chang, T. Y.↗
NASA NTRS1986

Analytical ultrasonics for evaluation of composite materials response. Part 2: Generation and detection

To evaluate the response of composite materials, it is imperative that the input excitation as well as the observed output be well characterized. This characterization ideally should be in terms of displacements as a function of time with high spatial resolution. Additionally, the ability to prescribe these features for the excitation is highly desirable. Various methods for generating and detecting ultrasound in advanced composite materials are examined. Characterization and tailoring of input excitation is considered for contact and noncontact, mechanical, and electromechanical devices. Type of response as well as temporal and spatial resolution of detection methods are discussed as well. Results of investigations at Virginia Tech in application of these techniques to characterizing the response of advanced composites are presented.

Duke, J. C., Jr.↗
NASA NTRSDate not supplied

Experimental Investigations into the Material Response of Heatshields, High-Temperature Coatings, and Meteors.

Phenolic Impregnated Carbon Ablator (PICA) gained heritage during the Stardust mission and is the baseline thermal protection system (TPS) material for missions to Mars. However, PICA is friable, so a thin layer of siloxane resin (NuSil) is applied to the surface of the heatshield to suppress the spread of particulate matter during cleanroom activities. Until recently, the thermochemical response of NuSil had not been accounted for in material response models. Therefore, a test campaign was executed at the Hypersonic Materials Environmental Test System (HyMETS) facility to investigate the material response of NuSil and provide crucial insight for model development. Finally, salient results from an experiment supported by the Asteroid Threat Assessment Project (ATAP) will be discussed, which probed the material response of the Tamdakht meteorite and notable analogs. Bio: Dr. Bessire is a senior research scientist in the thermal protection system materials branch at the NASA Ames Research Center. His research focuses on developing analytical techniques designed to inform and validate the development of material response models.

Brody K. Bessire↗
NASA NTRS2023

Coupled Fluid Dynamics and Material Response Simulations for Nitrogen High Enthalpy Flows

The study focuses on the interaction of nitrogen flows with thermal protection systems during atmospheric re-entry for NASA flight missions. The Ares multiphysics coupling tool is employed to investigate the coupling between the fluid (US3D) and material response (Icarus) solvers using various modeling approaches. These approaches include the equilibrium thin-film coefficients approach, a weakly coupled approach with temperature coupling, and an approach considering the full chemical composition of the surface and the transfer of pyrolysis gases. The objective is to understand and accurately represent the mechanisms of nitrogen interaction with the surface, such as nitridation and catalytic recombination. The study aims to assess the accuracy of the different approaches by comparing them to experimental results obtained from NASA arc-jet facilities. By addressing these challenges and improving the understanding of nitrogen-surface interactions, it is expected to enhance the design and performance analysis of thermal protection systems for future missions.

Ablation↗
NASA NTRS2017

3D Material Response Analysis of PICA Pyrolysis Experiments

The PICA decomposition experiments of Bessire and Minton are investigated using 3D material response analysis. The steady thermoelectric equations have been added to the CHAR code to enable analysis of the Joule-heated experiments and the DAKOTA optimization code is used to define the voltage boundary condition that yields the experimentally observed temperature response. This analysis has identified a potential spatial non-uniformity in the PICA sample temperature driven by the cooled copper electrodes and thermal radiation from the surface of the test article (Figure 1). The non-uniformity leads to a variable heating rate throughout the sample volume that has an effect on the quantitative results of the experiment. Averaging the results of integrating a kinetic reaction mechanism with the heating rates seen across the sample volume yield a shift of peak species production to lower temperatures that is more significant for higher heating rates (Figure 2) when compared to integrating the same mechanism at the reported heating rate. The analysis supporting these conclusions will be presented along with a proposed analysis procedure that permits quantitative use of the existing data. Time permitting, a status on the in-development kinetic decomposition mechanism based on this data will be presented as well.

Oliver, A. Brandon↗
NASA NTRS2015

Code-to-Code Comparison, and Material Response Modeling of Stardust and MSL using PATO and FIAT

This report provides a code-to-code comparison between PATO, a recently developed high fidelity material response code, and FIAT, NASA's legacy code for ablation response modeling. The goal is to demonstrates that FIAT and PATO generate the same results when using the same models. Test cases of increasing complexity are used, from both arc-jet testing and flight experiment. When using the exact same physical models, material properties and boundary conditions, the two codes give results that are within 2% of errors. The minor discrepancy is attributed to the inclusion of the gas phase heat capacity (cp) in the energy equation in PATO, and not in FIAT.

ablative materials↗
NASA NTRS2018

Full-Scale MSL Heatshield Material Response Using DSMC and CFD to Compute the Aerothermal Environments

During Mars atmospheric entry, the Mars Science Laboratory (MSL) was protected by a 4.5 meters diameter ablative heatshield assembled in 113 tiles [1]. The heatshield was made of NASA's flagship ablative material, the Phenolic Impregnated Carbon Ablator (PICA) [2]. Prior work [3] compared the traditional one-dimensional and three-dimensional material response models at different locations in the heatshield. It was observed that the flow was basically one-dimensional in the nose and flank regions, but three-dimensional flow effects were observed in the outer flank. Additionally, the effects of tiled versus monolithic heatshield models were also investigated. It was observed that the 3D tiled and 3D monolithic configurations yielded relative differences for in-depth material temperature up to 18% and 28%, respectively, when compared to the a 1D model.

Aerothermal↗
NASA NTRS2017

3D Material Response Analysis of PICA Pyrolysis Experiments

Primarily interested in improving ablation modeling for use in inverse reconstruction of flight environments on ablative heat shields. Ablation model is essentially a component of the heat flux sensor, so model uncertainties lead to measurement uncertainties. Non-equilibrium processes have been known to be significant in low density ablators for a long time, but increased accuracy requirements of the reconstruction process necessitates incorporating this physical effect. Attempting to develop a pyrolysis model for implementation in material response based on the PICA data produced by Bessire and Minton. Pyrolysis gas species molar yields as a function of temperature and heating rate. Several problems encountered while trying to fit Arrhenius models to the data led to further investigation of the experimental setup.

Oliver, Brandon A.↗
DOE OSTI2025

Hydration and Restructuring of Polar Polymer Interfaces: Implications in Antifouling and Responsive Materials

Manipulating polymer interfaces is crucial for understanding how structure influences function in applications spanning biofouling prevention to energy storage. Moreover, observing how polymers adapt their microscopic structure to changes in their local environment can reveal essential properties that govern their performance in such applications, providing key insights into how to design more effective interfaces. Here, in this study, a series of “grafting-from” polymer brushes with side chains varying in charge, are probed by sum frequency generation (SFG) and modeled using all-atom molecular dynamics (MD) simulations to elucidate how chemical makeup and charge mediate interfacial restructuring in dry versus hydrated states. Results show that charge, in progressing from nonpolar to cationic to zwitterionic, results in dramatic changes in interfacial structure and overall hydration. While net neutral systems, regardless of bulk phase polarity, show minimal interfacial water structuring, the cationic species exhibits strong bulk water signals from the surface potential. Meanwhile, the polymer brushes themselves restructure in water differently independent of charge, impacting the functional groups that are presented to the aqueous phase. Nonpolar and cationic species for instance undergo a change in alkyl group orientations to accommodate hydrating water molecules, whereas the zwitterionic polymer becomes completely disordered in water. Overall, the structure-based behavior trends presented herein have implications in antifouling applications and responsive material interfaces.

biointerface↗
DOE OSTI2015

The development of criticality response materials - 14282

The Sellafield nuclear facility in the UK comprises a highly complex suite of plants and processes. This in turn demands a consistent and high performance from Emergency Response teams and management in order to demonstrate readiness to respond and combat any nuclear emergency. In order to continue to improve such readiness, a comprehensive programme of development has been undertaken by the Licensee. The programme spans the totality of the emergency response cycle which is resolved into three broad areas: Preparedness; Response; Building Specific File. Within these broad categories the focus of the materials changes from broad and general materials in the preparedness section to actual scenario specific materials in the Building Specific Files Sellafield Ltd. provided the scope of work for the totality of the criticality response materials, known collectively as Criticality Accident Response Data (CARD). The UK National Nuclear Laboratory (NNL) was challenged to technically underpin, develop and present the information in a format and layout that would satisfy the requirements of consistency, brevity, simplicity and relevance. One of the key areas targeted for improvement, and the focus of this paper, was the criticality accident response information that sits within the Building Specific File. At this level of the emergency response cycle by necessity the information must be detailed and specific and enable the emergency responder to understand the problem and assist in formulating a recovery plan. One of the key challenges faced by NNL and discussed in this paper was how to provide the emergency responder with the greatest amount of relevant information in the simplest form. NNL solved this problem by presenting the information in a 'four-block' format which includes a common set of information in textual and diagrammatic form. This paper presents on overview of the criticality accident specific four-blocker, highlights the problems encountered and focuses on the new and innovative materials developed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Partitioning of Ionization and Displacement Kerma in Material Response Functions

Calculations of total dose (relatable to heating) and ionizing dose (relatable to electron - hole pair formation) typically rely upon material kerma response functions and an assumption of charged particle equilibrium. Traditionally, kerma functions designed for use with the Sandia ASC NuGET code were created via the HEATR module of the NJOY code system, in which a simplifying monoatomic assumption in made. The purpose of this study is to relax that approximation through the use of binary collision simulation techniques, which can take into account the co - existence of multiple elements in a material. Specifically, the total, ionization, and displacement components of kerma are evaluated in silicon, gallium arsenide, gallium nitride, and indium phosphide using the TRIM and MARLOWE codes, and are compared against the equivalent NJOY - based functions. Based on the results, a binary collision - based methodology is proposed for extracting the partial kerma components of high - importance materials.

36 MATERIALS SCIENCE↗