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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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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Online simulation powered learning modules for materials science

Simulation tools are playing a significant role in materials science and engineering and beyond their well established importance in research and development, these tools have a vital pedagogical potential. We describe a set of online simulation tools and learning modules designed to help students explore important concepts in materials science where hands-on activities with high-fidelity simulations can provide insight not easily acquired otherwise. The online tools, which involve density functional theory and molecular dynamics simulations, have been designed with non-expert end-users in mind and only a few clicks are required to perform most simulations, yet they are powered by research-grade codes and expert users can access advanced options. All tools and modules are available for online simulation in nanoHUB.org and access is open and free of charge. Importantly, instructors and students do not need to download or install any software. The learning modules cover a range of topics from electronic structure of crystals and doping, plastic deformation in metals, and physical properties of polymers. These modules have been utilized in several core undergraduate courses at Purdue’s School of Materials Engineering, they are self contained, and are easy to incorporate into existing classes.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multijunction Solar Cells With Graded Buffer Bragg Reflectors

Metamorphic solar cells can have optimal bandgap combinations through the use of compositionally graded buffers, where the lattice constant is slowly varied over several microns of growth. Bragg reflectors consist of several microns of alternating layers with refractive index contrast and provide a useful internal reflection to multijunction solar cells with optically thin subcells. In this work, we implement distributed Bragg reflectors within the compositionally graded buffers of inverted metamorphic solar cells to add functionality to the buffer. The reflectance of this AlGaInAs 'graded buffer Bragg reflector' is very similar to the reflectance of a similar AlGaAs Bragg reflector external to a buffer as well as the reflectance predicted by the transfer matrix model, indicating that the roughness of the buffer does not drastically reduce the reflection. Reflectance of 72%, 91%, and 98% is achieved in 2, 4, and 8 um buffers using AlGaInAs layers that alternate between 30% and 70% aluminum content. Using a 2 um graded buffer Bragg reflector, the 1.0-eV mismatched subcell of a GaAs/GaInAs tandem has a minor increase in threading dislocation density compared to a standard graded buffer and a small, 20 mV, loss in voltage. As the buffer is thickened, the voltage loss is recuperated and excellent subcell voltages are achieved, indicating that the Bragg reflector is not severely hindering dislocation glide. We demonstrate that the benefits of the graded buffer Bragg reflector for optically thin subcells and subcells containing quantum wells, and conclude that Bragg reflectors can effectively be implemented within graded buffers, adding functionality without adding cost.

14 SOLAR ENERGY↗
DOE OSTI2019

Investigation of deep levels in CdZnTeSe crystal and their effect on the internal electric field of CdZnTeSe gamma-ray detector

A study of deep levels in CdZnTeSe radiationdetection materials is presented. The approach relies on electrical methods that combine time and temperature evolution of the electric field and electric current after switching on the bias voltage. Two optical methods were also applied to study the deep levels. The first method utilizes the temperature and temporal analysis of the electric-field evolution after switching off an additional light illuminating the sample at a wavelength of 940 nm. The second method involved measuring of the electric-field spectral dependence during near infrared illumination. The results are compared with those obtained with high-quality CdZnTe detector-grade material. We conclude that the introduction of Se into the lattice leads to a shift of the second ionization level of the Cd vacancy towards the conduction band, as predicted recently by first-principles calculations based on screened hybrid functionals.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Graphite Characterization: Baseline Variability Analysis Report

The Idaho National INL’s Baseline Material Property program provides many measurements of different material properties on a variety of nuclear graphite grades being investigated for irradiation-induced changes in material properties. The baseline material properties provide an unirradiated reference for comparison with measurements of those properties after irradiation. This study describes how uncertainty, or variance, in estimates of important material properties, like compressive strength, may depend on sample size, sample distribution and parameter estimation methods. Compressive strength data from two large collections of specimens from a billet of PCEA graphite (sample size = 230) and a billet of IG-110 graphite (sample size = 48) are used to illustrate these dependencies. The grades of graphite used represent approximate end members in terms of relative variability in strength measurements. Monte Carlo simulation and bootstrapping methods were used to examine variance in Weibull-parameter estimates as a function of sample size. Results were consistent with what previous statistical analyses have shown about the relationship between sample size and width of the confidence interval for maximum likelihood (ML) estimated parameters when samples are repeatedly drawn from a Weibull distribution. As a function of sample size, the precision of the modulus estimate increases faster than that of the characteristic strength. The modulus maximum likelihood estimates (MLEs) are biased for low sample sizes. The American Society for Testing and Materials document ASTM D7846-16 provides equations that describe the dependence of the variance of parameter MLEs on sample size. Using the same methodology, we show that the polynomials provided for variance dependence on sample size are inaccurate for sample sizes greater than ~120. We provide approximations to that relationship that illustrate relative constancy for sample size > ~10, in the logspace relationship of the modulus variance and the log transformed characteristic strength variance. Bootstrapping provided a means of comparing Weibull parameters obtained using ASME’s guidance for specimen collection to those obtained using different weighting in a case where strength is related to position in a billet and to grain orientation and a single distribution is used to characterize the billet. ASME specifies that samples be collected with equal representation in all locations and grain orientations. Parameter values obtained using ASME’s method were different from those obtained using random sampling of the complete data sets, and this was particularly true for the PCEA data. In addition, while the ASME approach yielded more conservative parameters for the PCEA data, the opposite was true for the IG-110 data. The difference observed for the PCEA data set likely reflects the larger number of against-grain specimens collected, which had generally higher strength than the with-grain specimens. This emphasizes the importance of the dependence of strength on location or grain orientation and suggests that it may be prudent to weight specimen collection toward the weaker subgroups if a conservative estimate as desired, as the equal weighting method recommended by ASME would will not always provide the most conservative Weibull parameters. Because spatial correlations commonly exist in certain grades of graphite, future work may involve developing a methodology for parameter inference that relaxes the assumption of independent specimens. ASTM and ASME codes recommend different parameter estimation methods and models of the Weibull distribution in different situations. Descriptions of the effects on parameter estimates for the example billets used in this study provide an example of how the method may affect the parameter estimate, and how—in this case—that compares to differences due to other factors, such as sample size and dependence on grain orientation or sample location.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Parametric reduced order models for graded lattice structures

Graded lattice structures, characterized by smoothly varying mechanical properties, hold significant promise for optimizing material distribution in advanced engineering applications. However, accurately modeling these structures poses substantial computational challenges due to the continuous geometric variations within their unit cells. Here, to address these challenges, this paper introduces a novel Efficient Reduced Order Model (EROM) that integrates the Matrix Discrete Empirical Interpolation Method (MDEIM) and Discrete Empirical Interpolation Method (DEIM) with polynomial regression to efficiently manage geometric parametrization in lattice structures. Unlike traditional reduced order models (ROMs) that require extensive precomputed libraries for each geometric configuration, our approach enables continuous geometric variations through a flexible algebraic formulation, significantly reducing computational costs while preserving high accuracy. The method constructs projection matrices for individual unit cells that can be efficiently assembled into global systems, leveraging the repetitive nature of lattice structures. Numerical studies demonstrate that our EROM achieves displacement errors below 1% and von Mises stress prediction errors below 4%, coupled with computational speedups exceeding two orders of magnitude compared to full-order simulations. The proposed method's modularity and scalability make it particularly suitable for design optimization and real-time simulation of functionally graded lattice structures, with applications spanning aerospace to biomedical engineering.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Ensemble cure kinetics network (ECK-Net): A method to derive cure kinetics of thermosetting resin

This paper introduces an Ensemble Cure Kinetics Network (ECK-Net), a neural network (NN)–based framework for modeling the cure kinetics of thermosetting resins within a phenomenological context. ECK-Net replaces traditional analytic models, which require extensive chemical insight and multiple isothermal/non-isothermal experiments, with a data-driven surrogate that maps nonlinear relationships between temperature, degree of cure, and reaction rate from differential scanning calorimetry data. The proposed approach predicts input-dependent kinetic coefficients of a generalized nth-order reaction equation rather than reaction rates directly, enabling a single unified model to represent various epoxy systems without relying on iso-conversional analysis or predefined functional forms. To ensure robustness, multiple independently trained networks under different random initializations are blended through an ensemble strategy, effectively mitigating the stochastic variability inherent to neural networks. The framework is validated using experimental datasets from multiple resin systems, including aerospace-grade materials (Toray 3900-2, Cycom 5320-1, and Hexcel 8552) and a windmill-grade resin (RIMR 035c). The model accurately reproduces the temporal evolution of the degree of cure under manufacturers’ recommended cure cycles across all tested resins systems, yielding Pearson’s correlation coefficients of 0.992, 0.994, 0.993, 0.997, respectively. To demonstrate process-level applicability, the trained network was implemented within the Abaqus environment to simulate out-of-autoclave (OOA) curing process of the CFRP panel composed of Toray T830H-6K/3900-2D prepreg. The simulation results showed excellent agreement with experimental temperature response (maximum peak temperature, simulation: 189.6 °C, experiment: 188.5 °C) and the final degree of cure (simulation: 0.948, experiment: 0.960 ± 0.013), confirming ECK-Net’s capability as a reliable alternative to conventional cure kinetics modeling methods.

Composite curing↗
DOE OSTI2022

Fragility Functions Resource Report: Documented Sources for Electricity and Water Resilience Valuation

Fragility curves provide the vulnerability between hazard intensity and an asset. Federal installations may include many different electricity and water infrastructure types (or assets) such as generators, wind turbines, solar PV, switch yards, substations and power lines as well as water distribution systems that could be affected by different hazards. The vulnerability of each asset is a function of its age, type of materials and maintenance. In addition, the vulnerability changes with the hazards intensity and has a probability distribution function associated with it. The fragility functions are used in conjunction with hazard probability and consequence valuations to determine the values at risk for examination of investment grade analyses of alternative mitigation strategies. This document provides examples of fragility functions and links to their sources for different electricity and water infrastructure assets by hazard type.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2008

Design and Field Test of a Mass Efficient Crane for Lunar Payload Handling and Inspection: The Lunar Surface Manipulation System

Devices for lifting, translating and precisely placing payloads are critical for efficient Earthbased construction operations. Both recent and past studies have demonstrated that devices with similar functionality will be needed to support lunar outpost operations. Lunar payloads include: a) prepackaged hardware and supplies which must be unloaded from landers and then accurately located at their operational site, b) sensor packages used for periodic inspection of landers, habitat surfaces, etc., and c) local materials such as regolith which require grading, excavation and placement. Although several designs have been developed for Earth based applications, these devices lack unique design characteristics necessary for transport to and use on the harsh lunar surface. These design characteristics include: a) composite components, b) compact packaging for launch, c) simple in-field reconfiguration and repair, and d) support for tele-operated or automated operations. Also, in contrast to Earth-based construction, where special purpose devices dominate a construction site, a lunar outpost will require versatile devices which provide operational benefit from initial construction through sustained operations. This paper will detail the design of a unique, high performance, versatile lifting device designed for operations on the lunar surface. The device is called the Lunar Surface Manipulation System to highlight the versatile nature of the device which supports conventional cable suspended crane operations as well as operations usually associated with a manipulator such as precise positioning where the payload is rigidly grappled by a tool attached to the tip of the device. A first generation test-bed to verify design methods and operational procedures is under development at the NASA Langley Research Center and recently completed field tests at Moses Lake Washington. The design relied on non-linear finite element analysis which is shown to correlate favorably with laboratory experiments. A key design objective, reviewed in this paper, is the device s simplicity, resulting from a focus on the minimum set of functions necessary to perform payload offload. Further development of the device has the potential for significant mass savings, with a high performance device incorporating composite elements estimated to have a mass less than 3% of the mass of the maximum lunar payload lifted at the tip. The paper will conclude with future plans for expanding the operational versatility of the device.

Doggett, William R.↗
DOE OSTI2024

Formation of functionally graded steel by laser powder bed fusion via in-situ carbon doping

Additive Manufacturing (AM) enables functional integration by combining multiple components into a single part to shorten assembly time, reduce weight, and improve performance. Laser Powder Bed Fusion (LPBF) is an important AM method due to excellent spatial resolution, surface finish, and material properties without the need for extensive post-processing. Functional integration could be enhanced by spatial tuning of properties, but LPBF cannot readily vary material composition. Here, this paper addresses a method to add spatial composition control by printing small quantities of dopants via liquid carrier prior to laser fusion. The impact of carbon black suspension added to select regions of a Stainless Steel 316 L powder bed on melt pool dimension, hardness, and porosity is reported. The distribution of the carbon between the doped and plain layers and the resulting spatial variation in hardness is measured. Optical microscopy and composition analysis show that the carbon dispersed uniformly within the layer of deposition and diffused as little as 50 μm in the build direction. Keyhole conditions dramatically increase the inter-layer transport of the dopant. The added carbon increased hardness by >50 %. Porosity increased in doped regions but remained below 1.5 % for the best processing parameters. These results demonstrate that the composition of LPBF parts could be controlled in 3-dimensions using a dopant that is soluble in the melt pool. Additional work will be required to evaluate different dopant materials and optimize processing conditions for full density, but microalloying with soluble dopants appears to be a plausible solution to enhance functional integration with LPBF.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Recycle of Inorganic Nutrients for Hydroponic Crop Production Following Incineration of Inedible Biomass

Recovery of resources from waste streams is essential for future implementation and reliance on a regenerative life support system. The major waste streams of concern are from human activities and plant wastes. Carbon, water and inorganics are the primary desired raw materials of interest. The goal of resource recovery is maintenance of product quality to insure support of reliable and predictable levels of life support function performance by the crop plant component. Further, these systems must be maintained over extended periods of time, requiring maintenance of nutrient solutions to avoid toxicity and deficiencies. Today, reagent grade nutrients are used to make nutrient solutions for hydroponic culture and these solutions are frequently changed during the life cycle or sometimes managed for only one crop life cycle. The focus of this study was to determine the suitability of the ash product following incineration of inedible biomass as a source of inorganic nutrients for hydroponic crop production. Inedible wheat biomass was incinerated and ash quality characterized. The incinerator ash was dissolved in adequate nitric acid to establish a consistent nitrogen concentration in all nutrient solution treatments. Four experimental nutrient treatments were included: control, ash only, ash supplemented to match control, and ash only quality formulated with reagent grade chemicals. When nutrient solutions are formulated using only ash following-incineration of inedible biomass, a balance in solution is established representing elemental retention following incineration and nutrient proportions present in the original biomass. The resulting solution is not identical to the control. This imbalance resulted in suppression of crop growth. When the ash is supplemented with nutrients to establish the same balance as in the control, growth is identical to the control. The ash appears to carry no phytotoxic materials. Growth in solution formulated with reagent grade chemicals but matching the quality of the ash only treatment resulted in growth similar to that of the ash only treatment. The ash product resulting from incineration of inedible biomass appears to be a suitable form for recycle of inorganic nutrients to crop production.

Bubenheim, David L.↗
DOE OSTI2023

Adaptation of Temperature Dependent Thermal Neutron Libraries for Fast On-The-Fly Monte Carlo Sampling at Arbitrary Temperatures

Thermal neutron scattering data is necessary for reactor simulations of thermal reactors, but the data storage required can be unwieldy. This is exacerbated when simulations require a large temperature range, as is the case for accident scenarios and reactor start-up. Previous work conducted at RPI has explored and demonstrated a proof of concept of On-The-Fly (OTF) data storage with light water and crystalline graphite based on ENDF/B-VII.1. This provides an updated data storage paradigm for incoherent inelastic cross-sections that allow the data to be used to generate necessary sampling Cumulative Density Functions (CDFs) for any desired temperature. The work presented in this paper extends the previous work by implementing the proof of concept based on ENDF/B-VIII.0, instead of ENDF/B-VII.1, and to include additional materials, such as beryllium and oxygen in beryllium oxide and the new reactor grades of porous graphite. Completion of this work allows a single thermal data file to represent any thermal scattering event for a given material OTF for the temperature of interest, which greatly reduces the data storage needed with only a marginal cost in the calculation of the CDFs OTF. This paper will review the basic methodologies in generating the OTF data, as well as present the updates and improvements made in the generation process. Application of the methodologies covered in this paper show a significant reduction in the storage requirements for inelastic incoherent scattering events. In which, the evaluated ENDF/B-VIII.0 thermal scattering library can be reduced from 563.1 MB to 10.9 MB for light water and 339.3 MB to 13.6 MB for Be in BeO.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Calibration of RAFM Micromechanical Model for Creep Using Bayesian Optimization for Functional Output

A Bayesian optimization procedure is presented for calibrating a multimechanism micromechanical model for creep to experimental data of F82H steel. Reduced activation ferritic martensitic (RAFM) steels based on Fe(8–9)%Cr are the most promising candidates for some fusion reactor structures. Although there are indications that RAFM steel could be viable for fusion applications at temperatures up to 600°C, the maximum operating temperature will be determined by the creep properties of the structural material and the breeder material compatibility with the structural material. Due to the relative paucity of available creep data on F82H steel compared to other alloys such as Grade 91 steel, micromechanical models are sought for simulating creep based on relevant deformation mechanisms. As a point of departure, this work recalibrates a model form that was previously proposed for Grade 91 steel to match creep curves for F82H steel. Due to the large number of parameters (9) and cost of the nonlinear simulations, an automated approach for tuning the parameters is pursued using a recently developed Bayesian optimization for functional output (BOFO) framework (Huang et al., 2021, “Bayesian optimization of functional output in inverse problems,” Optim. Eng., 22, pp. 2553–2574). Incorporating extensions such as batch sequencing and weighted experimental load cases into BOFO, a reasonably small error between experimental and simulated creep curves at two load levels is achieved in a reasonable number of iterations. In conclusion, validation with an additional creep curve provides confidence in the fitted parameters obtained from the automated calibration procedure to describe the creep behavior of F82H steel.

42 ENGINEERING↗
NASA NTRS1982

Materials characterization and fracture mechanics of a space grade dielectric silicone insulation

The present investigation is concerned with the DC 93-500 high voltage silicone insulation material employed to pot the gun and the collector end of a traveling wave tube (TWT) used on the Landsat D Satellite. The fracture mechanics behavior of the silicone resin was evaluated by measuring the slow crack velocity as a function of the opening mode of the stress intensity factor at +25 and -10 C, taking into account various uniaxial discrete strain values. It was found that the silicone resins slow crack growth is faster than that for a high voltage insulation polyurethane material at the same stress intensity factor value and room temperature.

Abdel-Latif, A. I.↗
DOE OSTI2018

Microstructure characterisation and mechanical properties of a functionally-graded NbC/high chromium white cast iron composite

Highlights: • A functionally-graded NbC – white cast iron composite was centrifugally cast. • Primary NbC particle distribution follows Stokes' Law, with 30 vol% at the surface. • Presence of primary NbC particles refined eutectic M{sub 7}C{sub 3} morphology at the surface. • The surface layer was hard and wear resistant, while the interior was tougher. • NbC and M{sub 7}C{sub 3} carbides form independent eutectic structures within the interior. - Abstract: A functionally graded NbC – high chromium white cast iron composite was successfully fabricated by centrifugal casting for high wear applications. The migration of primary NbC particles to the outer periphery, as predicted by Stokes' law, resulted in an extremely hard outer layer at the surface of a softer bulk material. Microstructural characterisation showed that both the volume fraction and the morphology of the carbides varies along the thickness of the specimen. At the outer surface, the NbC was present as primary carbides while Chinese-script NbC was found in the bulk of the material. Hardness, sliding wear and three-point bending tests confirmed that the outer layer was harder and more wear resistant than the rest of the material, which was correspondingly tougher. The study of the fracture surface of the specimens showed that there is a strong bond between NbC and the matrix such that delamination between the reinforcements and the matrix did not occur during fracture. If Chinese-script NbC can be reduced or prevented in the bulk material, further improvements to toughness could be achieved.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Corrosion-Resistant Container for Molten-Material Processing

In a carbothermal process, gaseous methane is passed over molten regolith, which is heated past its melting point to a temperature in excess of 1,625 C. At this temperature, materials in contact with the molten regolith (or regolith simulant) corrode and lose their structural properties. As a result, fabricating a crucible to hold the molten material and providing a method of contact heating have been problematic. Alternative containment approaches use a large crucible and limit the heat zone of the material being processed, which is inefficient because of volume and mass constraints. Alternative heating approaches use non-contact heating, such as by laser or concentrated solar energy, which can be inefficient in transferring heat and thus require higher power heat sources to accomplish processing. The innovation is a combination of materials, with a substrate material having high structural strength and stiffness and high-temperature capability, and a coating material with a high corrosion resistance and high-temperature capability. The material developed is a molybdenum substrate with an iridium coating. Creating the containment crucible or heater jacket using this material combination requires only that the molybdenum, which is easily processed by conventional methods such as milling, electric discharge machining, or forming and brazing, be fabricated into an appropriate shape, and that the iridium coating be applied to any surfaces that may come in contact with the corrosive molten material. In one engineering application, the molybdenum was fashioned into a container for a heat pipe. Since only the end of the heat pipe is used to heat the regolith, the container has a narrowing end with a nipple in which the heat pipe is snugly fit, and the external area of this nipple, which contacts the regolith to transfer heat into it, is coated with iridium. At the time of this reporting, no single material has been found that can perform the functions of this combination of materials, and other combinations of materials have not proven to be survivable to the corrosiveness of this environment. High-temperature processing of materials with similar constituencies as lunar regolith is fairly common. The carbo-thermal process is commonly used to make metallurgical-grade silicon for the semiconductor and solar-cell industries.

Stern, Theodore G.↗
DOE OSTI2023

Optically Excited Lasing in a Cavity‐Based, High‐Current‐Density Quantum Dot Electroluminescent Device

Abstract Laser diodes based on solution‐processable materials can benefit numerous technologies including integrated electronics and photonics, telecommunications, and medical diagnostics. An attractive system for implementing these devices is colloidal semiconductor quantum dots (QDs). The progress towards a QD laser diode has been hampered by rapid nonradiative Auger decay of optical‐gain‐active multicarrier states, fast device degradation at high current densities required for laser action, and unfavorable competition between optical gain and optical losses in a multicomponent device stack. Here we resolve some of these challenges and demonstrate optically excited lasing from fully functional high‐current density electroluminescent (EL) devices with an integrated optical resonator. This advance has become possible due to excellent optical gain properties of continuously graded QDs and a refined device architecture, which allows for highly efficient light amplification in a thin, EL‐active QD layer.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A projection-based method for topology optimization of structures with graded surfaces

Topology optimization (TO) is a generative design approach that is used to create new structures that are optimal for their purpose. Standard parameterizations of the TOproblem allow exploration of an arbitrarily complex design space, but must be constrained to ensure manufacturability; these constraints tend to be computationally expensive and intrusive to the design process. A relatively new parametrization of the TO problem uses geometry projection of known-manufacturable building blocksinto the design domain, but the existing library of building blocks compatible with projection is small. This project sought to expand this library with new shapes, and to determine whether theaddition of these new shapes could be used to design unit cells for micro-architected materials (MAMs) with improved stiffness-to-weight ratio compared with traditional designs,while retaining compatibility with additive manufacturing processes.Due to a reduction in scope, effort was focused on truss lattices with hollow, tapered, and curved struts. Hollowtruss lattices were found that outperform traditional designs like the octet truss in both stiffness and isotropy, as well as providing a decoupling between the stiffness and relative density. These new designs are expected to improve the performance of functionally graded structures in programmatic applications.

42 ENGINEERING↗