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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 127 records · Page 7

Study of the Effects of Impurities on the Properties of Silicon Materials and Performance of Silicon Solar Cell

Numerical solutions were obtained from the exact one dimensional transmission line circuit model to study the following effects on the terrestrial performance of silicon solar cells: interband Auger recombination; surface recombination at the contact interfaces; enhanced metallic impurity solubility; diffusion profiles; and defect-impurity recombination centers. Thermal recombination parameters of titanium impurity in silicon were estimated from recent experimental data. Based on those parameters, computer model calculations showed that titanium concentration must be kept below 6x10 to the 12th power Ti/cu cm in order to achieve 16% AM1 efficiency in a silicon solar cell of 250 micrometers thick and 1.5 ohm-cm resistivity.

Sah, C. T.↗

Study of the effects of impurities on the properties of silicon materials and performance of silicon solar cell

The effect of silicon film thickness on the energy conversion efficiency of a back surface field solar cell is investigated. A computer-aided design study on the dependence of efficiency peaks on the concentrations of the recombination and dopant impurities is presented. The illuminated current voltage characteristics of over 100 cell designs were obtained using the transmission line circuit model to numerically solve the Shockley Equations. Using an AM1 efficiency of 17% as a target value, it is shown that the efficiency versus thickness dependence has a broad maximum which varies less than 1% over more than three-to-one range of cell thickness from 30 to 100 microns. Optical reflecting back surface will give only a slight improvement of AM1 efficiency, about 0.7%, in this thickness range. The sensitive dependence of efficiency on patchiness across the back surface field, low high junction in thin cells is noted.

Sah, C. T.↗

High performance thermoelectric materials and methods of preparation

Transition metals (T) of Group VIII (Co, Rh and Ir) have been prepared as semiconductor alloys with Sb having the general formula TSb.sub.3. The skutterudite-type crystal lattice structure of these semiconductor alloys and their enhanced thermoelectric properties results in semiconductor materials which may be used in the fabrication of thermoelectric elements to substantially improve the efficiency of the resulting thermoelectric device. Semiconductor alloys having the desired skutterudite-type crystal lattice structure may be prepared in accordance with the present invention by using vertical gradient freeze techniques, liquid-solid phase sintering techniques, low temperature powder sintering and/or hot-pressing. Measurements of electrical and thermal transport properties of selected semiconductor materials prepared in accordance with the present invention, demonstrated high Hall mobilities (up to 8000 cm.sup.2.V.sup.-1.s.sup.-1), good Seebeck coefficients (up to 400 .mu.VK.sup.-1 between 300.degree. C. and 700.degree. C.), and low thermal conductivities (as low as 15 mW/cmK). Optimizing the transport properties of semiconductor materials prepared from elemental mixtures Co, Rh, Ir and Sb resulted in a two fold increase in the thermoelectric figure of merit (ZT) at temperatures as high as 400.degree. C. for thermoelectric elements fabricated from such semiconductor materials.

Fleurial, Jean-Pierre↗

International Space Station (ISS) 3D Printer Performance and Material Characterization Methodology

In order for human exploration of the Solar System to be sustainable, manufacturing of necessary items on-demand in space or on planetary surfaces will be a requirement. As a first step towards this goal, the 3D Printing In Zero-G (3D Print) technology demonstration made the first items fabricated in space on the International Space Station. From those items, and comparable prints made on the ground, information about the microgravity effects on the printing process can be determined. Lessons learned from this technology demonstration will be applicable to other in-space manufacturing technologies, and may affect the terrestrial manufacturing industry as well. The flight samples were received at the George C. Marshall Space Flight Center on 6 April 2015. These samples will undergo a series of tests designed to not only thoroughly characterize the samples, but to identify microgravity effects manifested during printing by comparing their results to those of samples printed on the ground. Samples will be visually inspected, photographed, scanned with structured light, and analyzed with scanning electron microscopy. Selected samples will be analyzed with computed tomography; some will be assessed using ASTM standard tests. These tests will provide the information required to determine the effects of microgravity on 3D printing in microgravity.

Bean, Q. A.↗

Calculating Radiation Damage (DPA) from Transmutation Products

This is a poster for an INL poster session. Accurate models for radiation damage are crucial for predicting material performance in radiation environments. The uncertainty of state-of-the-art radiation damage models is large, contributing to excessive safety margins. A major source of this uncertainty is neglecting the effect that transmutation products have on radiation damage. Transmutation products are new nuclides formed by neutron activation during irradiation; they can contribute to radiation damage by additional neutron capture or decay events. Ignoring the contribution of transmutation products leads to a significant underprediction of the radiation damage (e.g., >10% error in 316 stainless steel). This underprediction is accounted for in part by adding larger safety margins to designs. Currently, the state of the art explicitly accounts for only a single transmutation product, namely nickel-59, during the radiation damage calculation. All other transmutation products are assumed to not contribute to the radiation damage, because there is currently no established method to systematically track all or a selection of radiation damage contributions of transmutation products during activation. In the case of nickel-59, the current method is to apply a precalculated correlation that cannot be used for any other nuclide and is largely dependent on all nuclear engineers being experts in this niche topic. This project proposed to methodically find other transmutation products that cause significant radiation damage, and then to develop a general framework for systematically tracking the radiation damage from these nuclides. This was accomplished by combining the radiation damage calculation into the transmutation calculation already performed for irradiated structural materials. The key idea of our framework is to introduce radiation-damage "pseudo-nuclides" to the list of nuclides used in the transmutation analysis. This allows radiation damage to be tracked alongside the creation and destruction of transmutation products. The main deliverable of this project is a general framework for computing radiation damage while the damaged material undergoes transmutation; this capability allows a significantly more accurate estimation of radiation damage, and in turn reduce required safety margins thereby reducing the cost to construct reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Connect microstructure evolution to property degradation with validated simulation

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500$^o$C to 1500$^o$C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 $\frac{D}{m^2s}$. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

Coupling Microstructural Evolution Simulations to Material Property Degradation Predictions for Plasma-Facing Materials

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500 C to 1500 C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 D/m^2-s. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

Progress Towards Developing Neutron Tolerant Magnetostrictive and Piezoelectric Transducers

Current generation light water reactors (LWRs), sodium cooled fast reactors (SFRs), small modular reactors (SMRs), and next generation nuclear plants (NGNPs) produce harsh environments in and near the reactor core that can severely tax material performance and limit component operational life. To address this issue, several Department of Energy Office of Nuclear Energy (DOE-NE) research programs are evaluating the long duration irradiation performance of fuel and structural materials used in existing and new reactors. In order to maximize the amount of information obtained from Material Testing Reactor (MTR) irradiations, DOE is also funding development of enhanced instrumentation that will be able to obtain in-situ, real-time data on key material characteristics and properties, with unprecedented accuracy and resolution. Such data are required to validate new multi-scale, multi-physics modeling tools under development as part of a science-based, engineering driven approach to reactor development. It is not feasible to obtain high resolution/microscale data with the current state of instrumentation technology. However, ultrasound-based sensors offer the ability to obtain such data if it is demonstrated that these sensors and their associated transducers are resistant to high neutron flux, high gamma radiation, and high temperature. To address this need, the Advanced Test Reactor National Scientific User Facility (ATR-NSUF) is funding an irradiation, led by PSU, at the Massachusetts Institute of Technology Research Reactor to test the survivability of ultrasound transducers. As part of this effort, PSU and collaborators have designed, fabricated, and provided piezoelectric and magnetostrictive transducers that are optimized to perform in harsh, high flux, environments. Four piezoelectric transducers were fabricated with either aluminum nitride, zinc oxide, or bismuth titanate as the active element that were coupled to either Kovar or aluminum waveguides and two magnetostrictive transducers were fabricated with Remendur or Galfenol as the active elements. Pulse-echo ultrasonic measurements of these transducers are made in-situ. This paper will present an overview of the test design including selection criteria for candidate materials and optimization of test assembly parameters, data obtained from both out-of-pile and in-pile testing at elevated temperatures, and an assessment based on initial data of the expected performance of ultrasonic devices in irradiation conditions

Reinhardt1, Brian↗

Harnessing Quantum Computing for Energy Materials: Opportunities and Challenges

Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials development, but they face scaling and time-complexity limitations, particularly for high-dimensional or strongly correlated material systems. Quantum computing (QC) promises to offer a paradigm shift by exploiting quantum bits with their superposition and entanglement to address challenging problems intractable for classical approaches. This Perspective discusses the opportunities in leveraging QC to advance energy materials research and the challenges QC faces in solving complex and high-dimensional problems. We present cases on how QC, when combined with classical computing methods, can be used for the design and simulation of practical energy materials. We also outline the outlook for error-corrected, fault-tolerant QC capable of achieving predictive accuracy and quantum advantage for complex material systems.

Algorithms↗

Renewable Energy Materials Properties Database: Summary

Renewable energy is providing a growing share of electricity generation in the United States, with generation from utility scale wind and solar increasing by 12% and 29%, respectively, in 2020 (EIA 2021). Installation of new renewable energy facilities requires material inputs that range from common construction materials to specialized, high-performance materials that may have limited availability. This report summarizes the Department of Energy (DOE) Wind Energy Technologies Office (WETO) and DOE Solar Energy Technologies Office (SETO) database of materials used in domestic wind and solar installations. The Energy Act of 2020 directs WETO and SETO to deliver a "comprehensive physical property database of materials for use in [wind and solar] energy technologies, which shall identify the type, quantity, country of origin, source, significant uses, projected availability, and physical properties of materials used in [wind and solar] energy technologies" by no later than September 1, 2022. This report is the summary and directions for use of the Renewable Energy Materials Property Database (REMPD), in response to that direction. The related full text of the Energy Act of 2020 is provided in Appendix A. The focus of the REMPD and this accompanying report is on quantifying the raw and processed materials used in renewable energy technologies. The database contains information on the amount of each material that goes into wind and solar power plants, descriptions of the relevant material properties, and the primary countries of origin for each material. Some materials go through several stages of processing and/or are incorporated into subcomponents that make up the completed energy generation facilities. This report does not analyze supply chains for the production of renewable energy plant components. The Department of Energy has carried out related analysis in response to Executive Order 14017, which directed production of "America's Supply Chains" reports for Wind and Solar. The supply chain reports can be found at https://www.energy.gov/sites/default/files/2022-02/Wind%20Supply%20Chain%20Report%20-%20Final%202.25.22.pdf (Wind) and https://www.energy.gov/sites/default/files/2022-02/Solar%20Energy%20Supply%20Chain%20Report%20-%20Final.pdf (Solar). Additional reports in this series that are relevant to wind, solar and hybrid plants include: Energy Storage at https://www.energy.gov/sites/default/files/2022-02/Energy%20Storage%20Supply%20Chain%20Report%20-%20final.pdf and Neodymium Magnets at https://www.energy.gov/sites/default/files/2022-02/Neodymium%20Magnets%20Supply%20Chain%20Report%20-%20Final.pdf.

14 SOLAR ENERGY↗

Ten past and ten future GAS/MAUS-payloads

MAUS (materials science autonomous experiments) is one out of a series of flight opportunities which the Space Program of West Germany offers to scientists from the disciplines of materials research and processing for performing materials science investigations under microgravity conditions. Up to now, ten MAUS experiments were flown which were dealing with the following scientific topics: decomposition of binary alloys with miscibility gap in the liquid state, interaction of a solidification front with dispersed particles, critical Marangoni number, investigation of the magnetic compound MnBi, shrinkage of gas bubbles in glass melts and slip casting. The ten future experiments are partly reflights with modification of the scientific objectives as well as new experiments in the fields of chemical reactions, heat transfer, glass technology and Ostwald ripening. Looking to ten flown payloads, the peculiarities of instrument technology in GAS-cans and its evolution is discussed with emphasis on structure, electronics and thermal design. A typical modern payload using 100 percent of the resource is presented.

Staniek, S.↗

Space Environment Stability and Physical Properties of New Materials for Space Power and Commercial Applications

To test and evaluate suitability of materials for use in space power systems and related space and commercial applications, and to achieve sufficient understanding of the mechanisms by which, the materials perform in their intended applications. Materials and proposed applications included but were not limited to: Improved anodes for lithium ion batteries, highly-transparent arc-proof solar array coatings, and improved surface materials for solar dynamic concentrators and receivers. Cooperation and interchange of data with industrial companies as appropriate.

Hambourger, Paul D.↗

Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal, and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineers perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(sub x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for 'graceful' rather than catastrophic failure. When loaded in the fiber direction these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, NiAl single crystal turbine blade material; map a simplistic future strength envelope of the material; develop a statistically based reliability computer algorithm; verify the reliability model and computer algorithm-, and model stator vanes for rig tests. Thus establishing design protocols that enable the engineer to analyze and predict the mechanical behavior of ceramic composites and intermetallics would mitigate the prototype (trial and error) approach currently used by the engineering community. The primary objective of the research effort supported by this short term grant is the continued creation of enabling technologies for the macro-analysis of components fabricated from ceramic composites and intermetallic material systems. The creation of enabling technologies aids in shortening the product development cycle of components fabricated from the new high technology materials.

Duffy, Stephen F.↗

Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineer's perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for "graceful" rather than catastrophic failure. When loaded in the fiber direction, these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, NiAl single crystal turbine blade material; map a simplistic failure strength envelope of the material; develop a statistically based reliability computer algorithm, verify the reliability model and computer algorithm, and model stator vanes for rig tests. Thus establishing design protocols that enable the engineer to analyze and predict the mechanical behavior of ceramic composites and intermetallics would mitigate the prototype (trial and error) approach currently used by the engineering community. The primary objective of the research effort supported by this short term grant is the continued creation of enabling technologies for the macroanalysis of components fabricated from ceramic composites and intermetallic material systems. The creation of enabling technologies aids in shortening the product development cycle of components fabricated from the new high technology materials.

Duffy, Stephen F.↗

Advanced Materials and Component Development for Lithium-Ion Cells for NASA Missions

Human missions to Near Earth Objects, such as asteroids, planets, moons, liberation points, and orbiting structures, will require safe, high specific energy, high energy density batteries to provide new or extended capabilities than are possible with today s state-of-the-art aerospace batteries. The Enabling Technology Development and Demonstration Program, High Efficiency Space Power Systems Project battery development effort at the National Aeronautics and Space Administration (NASA) is continuing advanced lithium-ion cell development efforts begun under the Exploration Technology Development Program Energy Storage Project. Advanced, high-performing materials are required to provide improved performance at the component-level that contributes to performance at the integrated cell level in order to meet the performance goals for NASA s High Energy and Ultra High Energy cells. NASA s overall approach to advanced cell development and interim progress on materials performance for the High Energy and Ultra High Energy cells after approximately 1 year of development has been summarized in a previous paper. This paper will provide an update on these materials through the completion of 2 years of development. The progress of materials development, remaining challenges, and an outlook for the future of these materials in near term cell products will be discussed.

Reid, Concha M.↗