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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Mission X: Train Like an Astronaut. International Fitness Challenge

The Mission X, Train like an Astronaut, pilot project was a 2-year effort directed by the International Life Science Working Group. The pilot was funded by the Human Research Program and was lead by the Human Research Program Education and Outreach (HRPEO) project and supported by a group of space agencies providing in-kind resources. The aim was to identify an international educational outreach concept that would promote a life science topic utilizing the education and outreach expertise of the various space agencies working on the utilization of the International Space Station. This in turn serves as an inspiration for the younger generation to aspire to go further in school, and provides insight into the capability of a participating country to ensure the effort provided value for their communities and children. The pilot project developed the necessary tools to promote communications between the partners and to use materials and expertise from all the countries? space agencies. The Mission X Website (trainlikeanastronaut.org) provided a single repository for the educational activities as well as a place for the Challenge Teams to provide their progress in the international fitness challenge. It also added to the International flavor as different countries were able to share and learn about what was happening with all those involved in the 6-week challenge period. A point system was utilized to promote constructive, cooperative competition in which 4164 students participated. The points were used to help FitKid, Astro Charlie, "Walk-To-The-Moon". The 18 physical and educational Mission X activities were made available on the Mission X website in seven languages. The Mission X pilot project was considered a success in 1) the design, development, and implementation of the multi-language website, 2) the expansion of healthy lifestyle awareness, and 3) the concept for drawing an international educational community together to highlight global topics in association with human space exploration. Metrics (70 post-event surveys) and lessons learned were collated and assessed. Key Lessons Learned were 1) foster and strengthen partnerships at all levels, 2) enhance and standardize MX Training, and 3) further expansion of activities and methods to teach the importance of fitness and nutrition. Methods used to teach the importance of nutrition and fitness are provided in the report.

Lloyd, Charles↗
NASA NTRS2012

Spectroscopic Chemical Analysis Methods and Apparatus

This invention relates to non-contact spectroscopic methods and apparatus for performing chemical analysis and the ideal wavelengths and sources needed for this analysis. It employs deep ultraviolet (200- to 300-nm spectral range) electron-beam-pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor lightemitting devices, and hollow cathode metal ion lasers. Three achieved goals for this innovation are to reduce the size (under 20 L), reduce the weight [under 100 lb (.45 kg)], and reduce the power consumption (under 100 W). This method can be used in microscope or macroscope to provide measurement of Raman and/or native fluorescence emission spectra either by point-by-point measurement, or by global imaging of emissions within specific ultraviolet spectral bands. In other embodiments, the method can be used in analytical instruments such as capillary electrophoresis, capillary electro-chromatography, high-performance liquid chromatography, flow cytometry, and related instruments for detection and identification of unknown analytes using a combination of native fluorescence and/or Raman spectroscopic methods. This design provides an electron-beampumped semiconductor radiation-producing method, or source, that can emit at a wavelength (or wavelengths) below 300 nm, e.g. in the deep ultraviolet between about 200 and 300 nm, and more preferably less than 260 nm. In some variations, the method is to produce incoherent radiation, while in other implementations it produces laser radiation. In some variations, this object is achieved by using an AlGaN emission medium, while in other implementations a diamond emission medium may be used. This instrument irradiates a sample with deep UV radiation, and then uses an improved filter for separating wavelengths to be detected. This provides a multi-stage analysis of the sample. To avoid the difficulties related to producing deep UV semiconductor sources, a pumping approach has been developed that uses ballistic electron beam injection directly into the active region of a wide bandgap semiconductor material.

Hug, William F.↗
NASA NTRS2005

Micromechanics, Fracture Mechanics and Gas Permeability of Composite Laminates for Cryogenic Storage Systems

A micromechanics method is developed to investigate microcrack propagation in a liquid hydrogen composite tank at cryogenic temperature. The unit cell is modeled using square and hexagonal shapes depends on fiber and matrix layout from microscopic images of composite laminates. Periodic boundary conditions are applied to the unit cell. The temperature dependent properties are taken into account in the analysis. The laminate properties estimated by the micromechanics method are compared with empirical solutions using constituent properties. The micro stresses in the fiber and matrix phases based on boundary conditions in laminate level are calculated to predict the formation of microcracks in the matrix. The method is applied to an actual liquid hydrogen storage system. The analysis predicts micro stresses in the matrix phase are large enough to cause microcracks in the composite. Stress singularity of a transverse crack normal to a ply-interface is investigated to predict the fracture behavior at cryogenic conditions using analytical and finite element analysis. When a transverse crack touches a ply-interface of a composite layer with same fiber orientation, the stress singularity is equal to 1/2. When the transverse crack propagates to a stiffer layer normal to the ply-direction, the singularity becomes less than 1/2 and vice versa. Finite element analysis is performed to predict the fracture toughness of a laminated beam subjected to fracture loads measured by four-point bending tests at room and cryogenic temperatures. As results, the fracture load at cryogenic temperature is significantly lower than that at room temperature. However, when thermal stresses are taken into consideration, for both cases of room and cryogenic temperatures, the difference of the fracture toughness becomes insignificant. The result indicates fracture toughness is a characteristic property, which is independent to temperature changes. The experimental analysis is performed to investigate the effect of cryogenic cycling on permeability for various composite material systems. Textile composites have lower permeability than laminated composites even with increasing number of cryogenic cycle. Nano-particles dispersed in laminated composites do not show improvement on permeability. The optical inspection is performed to investigate the microcrack propagation and void content in laminated composites and compared the microscopic results before and after cryogenic cycling.

Choi, Sukjoo↗
DOE OSTI2024

Exploring the relationship between deposition method, microstructure, and performance of Nb/Si-based superconducting coplanar waveguide resonators

Superconducting quantum circuits (SQC) are one of the most promising hardware platforms for quantum computing, yet their performance is currently limited by the presence of various structural defects inside the circuit's structure. Despite impressive progress in the past decade, a precise understanding of the origin of these defects from various fabrication processes and their impact on coherence is still lacking. Here, in this study, we performed a comprehensive investigation on the microstructure, superconductivity, and resonator quality factor of Nb films deposited by high-power impulse magnetron sputtering (HiPIMS) and direct current (DC) magnetron sputtering. A suite of characterization techniques, including electron microscopy with spectroscopy, secondary ion mass spectrometry, magneto-optical microscopy, and pump-probe reflectivity spectroscopy is used. We reveal that niobium (Nb) resonators fabricated using HiPIMS exhibit a smaller average grain size, thicker surface oxide with larger thickness variations (rougher surface), and a thicker amorphous Nb/Si interface layer compared to samples deposited by DC sputtering. We identified that the amorphous Nb oxides (mainly located at the Nb surface and along the grain boundaries) and Nb-Si amorphous layers (at the Nb/Si interface) are major and potential sources of two-level system (TLS), while off-stochiometric oxides and suboxides of Nb close to the surface, crystalline defects (i.e., dislocations at grain boundary, point defects introduced during deposition) are main contributors of non-TLS sources. Our findings clarify the relationship between different defects and coherence loss mechanisms, highlighting the importance of material microstructure control on performance optimization in SQC.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Nasa Exploration Atmosphere Tests 3 & 4: Development and Validation of Planetary Extravehicular Activity Prebreathe Protocols for Alternate Atmospheres and Suit Pressures

INTRODUCTION: Space suits operate at low pressures to optimize astronauts’ performance. The drop in pressure from the habitat environment to the suit carries a risk of decompression sickness (DCS), which is mitigated by a 95% O2 prebreathe protocol. Prebreathe protocols for the lunar surface have a significantly higher risk compared to International Space Station microgravity Extravehicular Activities (EVA). In previous studies, we validated a prebreathe protocol from a 56.5 kPa 34% O2 cabin to a 29.6 kPa EVA pressure; however, the enriched oxygen cabin environment poses a flammability risk that requires significant changes to material design and selections. Here, we report outcomes for prebreathe protocols from a sub-30% O2 cabin and associated changes necessary to control DCS risk critical to upcoming lunar missions. METHODS: Fourteen volunteers completed 11-day hypobaric chamber studies with an “alternate exploration atmosphere” of 66.2kPa, 28.5% O2. Subjects acclimated for 48 hrs and then participated in five 6-hour simulated EVAs at 29.6 or 35.6kPa, 95% O2. Prior to EVA, subjects underwent a 20, 90, or 150-minute prebreathe. The EVA simulation was designed to be representative of future planetary EVAs, proportionate to the subject’s VO2max. Decompression stress was monitored by real-time doppler and echocardiograph alternating every 15 min, as well as clinical monitoring for DCS signs/symptoms. Venous gas emboli (VGE) and DCS outcomes were verified against NASA-STD-3001 acceptance criteria. RESULTS AND DISCUSSION: Venous gas emboli (VGE) were identified during all EVAs. A neurological DCS case was identified in the 90-min/29.6kPa prebreathe, terminating further testing of this protocol. No DCS cases were identified in the 150 min/29.6kPa protocol. The 20 min/36.5kPa protocol was rejected due to a Type II DCS case. All DCS symptoms resolved with treatment, with no sequelae post initial treatment of DCS. These various test points highlighted to the significant benefit of elevated suit pressure to shorten prebreathe protocols, but also the difficulty in assessing and managing DCS during sustained EVA operations in remote planetary surfaces.

decompression sickness↗
DOE OSTI2025

Leveraging Electrons for Electrochemical CO 2 Capture Using a Hemi‐Labile Iron Complex

Climate change, driven by anthropogenic carbon emissions, demands urgent action to prevent a 2050 tipping point. With CO 2 levels at 427 ppm (50% above pre-industrial levels), deploying energy-efficient carbon capture technologies is crucial. Electrochemical carbon capture processes that have been touted to have the potential to meet these needs rely on the applied cell voltage, and electron utilization (CO 2 molecules separated per electron), which has generally been asserted to have a theoretical limit of one. Here, we introduce an electron-leveraging strategy to enhance electron utilization beyond this limit to 1.43 by employing Fe-EDDHA, a redox-active coordination complex having a ligand with multiple hemi-labile coordination sites. The reversibility and robustness of the system were enabled by the efficient prevention of CO 2 reduction upon the introduction of nicotinamide as a guardian of the iron(2+) center. The proof-of-concept cyclic system exhibits a minimum operational energy of 22.6 kJ e mol −1 and an average of 63.7 kJ e mol −1 over 29 cycles, using a simulated flue gas (15% CO 2 ). Our electron-leveraging strategy holds promise for advancing energy-efficient electrochemical carbon capture technologies, and offers an alternative to prevalent redox potential shifting methods proposed to mitigate undesired electron transfer reactions in redox-active materials across diverse operational conditions.

carbon storage↗
DOE OSTI2026

Extending SLUSCHI for Automated Diffusion Calculations

We present an extension of the SLUSCHI package (Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces) to enable automated diffusion calculations from first-principles molecular dynamics. While the original SLUSCHI workflow was designed for melting temperature estimation via solid-liquid coexistence, we adapt its input and output handling to isolate the volume search stage and generate one production trajectory suitable for diffusion analysis. Post-processing tools parse VASP outputs, compute mean-square displacements (MSD), and extract tracer diffusivities using the Einstein relation with robust error estimates through block averaging. Diagnostic plots, including MSD curves, running slopes, and velocity autocorrelations, are produced automatically to help identify diffusive regimes. The method has been validated through representative case studies: self-diffusion in Al-Cu liquid alloys, sublattice melting in Li7La3Zr2O12 and Er2O3, interstitial oxygen transport in bcc and fcc Fe, and oxygen diffusivity in Fe-O liquids with variable Si and Al contents. Viscosity and diffusivity are linked through the Stokes-Einstein relation, with composition dependence assessed via simple linear mixing. This capability broadens SLUSCHI from melting-point predictions to transport property evaluation, enabling high-throughput, fully first-principles datasets of diffusion coefficients and viscosities across metals and oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Fundamental Interactions of Bimetallic Cu x Pd y ( x + y = 4) Clusters Supported on the α-WC(0001) Surface and Their Performance for CO 2 Adsorption and Dissociation

The tungsten carbide α-WC(0001) surface, an active system for the activation of H 2 and important hydrogenation processes involving unsaturated hydrocarbons, can serve as a support of bimetallic clusters to produce materials with unique catalytic properties, opening routes for a wide range of technical applications. In particular, Cu x Pd y clusters are of particular interest because they combine metals with different properties. A stochastic method was applied to obtain the geometry of Cu x Pd y (x + y = 4) bare clusters, evaluating thousands of possibilities to obtain stable structures, yielding one isomer for Cu 4 , Cu 2 Pd 2 , Cu 1 Pd 3 , and Pd 4 and two isomers for Cu 3 Pd 1 . These clusters were supported on C and W terminations of the tungsten carbide (0001) surface, exploring all of the binding possibilities. The adsorption energies on the C and W terminations are in the ranges from −2.51 to −3.02 eV and from −2.26 to −3.30 eV, respectively. The strongest and weakest binding was seen for monometallic Cu 4 and Pd 4 clusters on both C and W terminations, while the Cu-Pd bimetallics have intermediate adsorption energies but lack a clear trend in terms of composition. The location of Cu x Pd y clusters over the (0001) surface induces a decrease in the work function relative to the pristine surface, while the cluster-surface Bader charge transfer and variations in the partial density of states point to changes in the electronic structure of the carbide atoms upon binding of the metallic clusters. The d-band center of the Cu x Pd y deposited on WC(0001) indicates an intermediate reactivity among Cu(111) and Pd(111) surfaces, modulating the reactivity with small numbers of Cu and Pd atoms, i.e., atom economy in catalyst design. The likelihood of existence of the most stable Cu x Pd y (x + y = 4) clusters in the temperature range of 298-400 K is 100%. The composite Cu x Pd y /α-WC(0001) (x + y = 4), is a nontrivial system since 22 isomers are needed to completely describe its structural properties. Among the isomers, seven structures are necessary to represent Cu 3 Pd 1 /α-WC(0001), five for Pd 4 /α-WC(0001), two for Cu 4 /α-WC(0001), and four for Cu 2 Pd 2 /α-WC(0001) and Cu 1 Pd 3 /α-WC(0001). The large number of cluster isomers supported on the tungsten carbide surface opens the door for several applications in the heterogeneous catalysis of the Cu x Pd y /α-WC(0001) composite, with the possibility of modulating the geometric, electronic, and chemical properties according to a desired application. Test studies for the adsorption of CO 2 indicate that the Cu x Pd y /α-WC(0001) composites are highly active for the adsorption and decomposition of the molecule, with bimetallic and admetal-carbide interactions playing a key role in the binding performance. In conclusion, this high activity indicates that these systems should be useful as catalysts for the conversion of CO 2 to oxygenates or light alkanes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Strong Kitaev Interaction in BaCo 2⁢ (AsO 4 ) 2

The inelastic neutron scattering results and their analysis unequivocally point to a dominant Kitaev interaction in the honeycomb-lattice cobaltate BaCo 2 ⁢(AsO 4 ) 2 . Our anisotropic-exchange model closely describes all available neutron scattering data in the material’s field-polarized phase. Furthermore, the density-matrix renormalization group results for our model are in close accord with the unusual double-zigzag magnetic order and the low in-plane saturation field of BaCo 2 ⁢(AsO 4 ) 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tailoring optical response of MXene thin films

Due to their attractive optical properties, 2D MXenes have garnered interest in nanophotonic and optoelectronic applications. However, tuning their properties typically requires the iterative synthesis of MXenes with a specific set of properties, such as the absorption band position, electronic conductivity, and dielectric constant. We demonstrate how to tailor the optical properties of MXene thin films over a broad 1500-nm wavelength range by mixing different ratios of highly conductive Ti 3 C 2 T x with poorly conductive Nb 2 CT x . By changing the MXene film composition, the epsilon-near-zero (ENZ) point, where the optical properties transit from dielectric to metallic, was varied in the spectral range from 1.1 to 2.6 µm. Additionally, we observed a reduction in absorption in some compositions compared to the absorption of the pure MXene films. Compared to other methods, this approach enables simple and continual tuning of MXene optical properties without requiring multiple time-consuming synthesis steps.

2D materials↗
DOE OSTI2024

High pressure melt line of nickel using a generalized embedded atomic method potential

As the second most abundant metal in the Earth's core, nickel plays an important role in determining the structure and temperature of the Earth's core. Yet, the melt line of Ni at pressures corresponding to the Earth's core has not been explored in the literature. Many previous experimental and simulation efforts have reported the melting point of Ni at pressures below 100 GPa, but there exist large discrepancies, most of which have persisted due to various experimental and simulation bottlenecks in handling extreme pressure and temperature conditions. We adopted the generalized embedded atom method, which overcomes the limitations of existing interatomic potentials, to probe phase stability and phase boundaries of Ni at pressures between 50 and 500 GPa. Further, the potential was validated by comparing the cold curves, phonon dispersion curves, and enthalpies of fusion with ab initio density functional theory calculations. Our analysis shows that face centered cubic (FCC) is stable, and the hexagonal close packed (HCP) and body centered cubic (BCC) phases are metastable close to the melt line. Melting temperatures at different pressures were obtained from two-phase co-existence simulations and take the following functional form: $T$ m = $1969.23+19.15P-0.012P$ 2 . In contrast to iron, differences between the melting points of the stable and metastable phases of Ni are less than 250 K at 300 GPa, and the difference in melting points of the metastable BCC and HCP phases changes sign at 500 GPa, which implies that the phase transition mechanisms during solidification can be very complex.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Detached Melt and Vapor Growth of InI in SUBSA hardware

Indium iodide (InI) single crystals, grown by the Bridgman process, have shown a significant promise as room temperature detector material for X-rays and γ-rays due to the large, close to ideal, bandgap of Eg = 2 eV, and high electrical resistivity. Yet the transport properties of the charge and the detector performance remain inadequate. The Bridgman growth of semiconductor crystals in microgravity have typically resulted in partial dewetting and Marangoni convection, which disturbed the diffusion-controlled growth and produced nonuniform dopant distribution. However, unconfined or partially confined solidification drastically reduced the number of stress-induced defects compared to the confined growth in crucibles on Earth.The goal of the present investigation was to explore melt growth of a heavy metal halide in microgravity, focusing on dewetting, in order to improve the crystalline perfection, i.e., to reduce the number of stress-related defects. InI was chosen because it is non-toxic and has a low melting point of only 365 C (~150 C below the melting point of InSb, used in the SUBSA experiments in 2002). Furthermore, InI melts and evaporates congruently, making it suitable for both growth by directional solidification and growth from the vapor phase. In preparation for the flight experiments, ground-based experiments were conducted in the SUBSA ground unit, consisting of 4 melt growth and 2 vapor growth experiments. The crystals were grown by a gradient freeze method by lowering the setpoint of the furnace. The transparent section of the SUBSA furnace did not allow observations of the solid-liquid interface. Contrary to our expectations, the possible occurrence of dewetting during growth could not be observed. We will present i) the ampoule design and preparation, ii) the experiments conducted in the SUBSA ground unit, iii) the images obtained during the microgravity experiments and iv) the results of the characterization of the grown crystals and detector fabrication.

Crystal Growth↗
NASA NTRS1993

Thermal infrared emission spectroscopy of natural surfaces: Application to desert varnish coatings on rocks

Thermal infrared spectroscopy has become an increasingly important tool for remote compositional analysis and geologic mapping. Most published laboratory measurements have been obtained in bidirectional reflection or transmission, whereas remotely sensed thermal infrared data are obtained by measuring the emitted energy. Section 2 of this paper describes a laboratory technique for determining calibrated emissivities of natural surfaces. Equations are developed to account for the energy reflected from the environment and to determine directly the sample temperature from measurements of hot and cold blackbody targets. Two methods for determining emissivity are developed: one in which only a hot sample measurement is made and the reflected background energy is removed by modeling, and a second in which the sample is cooled and the reflected energy is measured directly. Relative emissivity can be obtained to approximately 1% and absolute emissivities can be obtained to 2-15%, depending on the validity of the assumption that the emissivity of the sample is unity at some wavelength. The emission data agree well within the hemispherically integrated reflection data but point out probelms associated with bidirectional reflectance measurements. Section 3 applies emissivity measurements to the study of layered surfaces consisting of desert varnish coatings on granite and granodiorite rock suites. Two linear models are developed: the first assumes linear mixing of independent emission from the substrate and varnish (checkerboard model); the second models tansmission through an absorbing/emitting medium. Regardless of whether the varnish is or is not relatively transparant and strongly absorptive, the spectral effect of varnish increases linearly with varnish thickness, indicating that thick patches of varnish dominate the spectral properties. As a result, medium varnish thickness can be determined from spectral measurements. In addition, the composition of a substrate can be estimated through varnish layers up to 40-50 micrometers in median thickness, and the composition of the varnish material can be determined if the substrate material is known. The varnishes studied are composed primarily of clay materials, consistent with previous studies of varnish composition.

Christensen, Philip R.↗
NASA NTRS2004

Residual Gas Effects on Detached Solidification in Microgravity

Our long term goal has been to make detached solidification reproducible, which requires a full understanding of the mechanisms underlying it. Our Moving Meniscus Model of steady-state detachment predicts that it depends strongly on the surface tension of the melt and the advancing contact angle with the ampoule wall. Thus, the objective of the current project was to determine the influence of residual gases on the surface tension and contact angle of molten semiconductors on typical ampoule materials. Our focus was on the influence of oxygen on indium antimonide on clean silica ("quartz"). The research was performed by three chemical engineering graduate students, the third of whom will complete his research in the summer of 2005. Originally, we had planned to use a sealed silica cell containing a zirconia electrochemical element to control the oxygen partial pressure. However, zirconia requires an operating temperature above the 530 C melting point of InSb and is difficult to form a gas-tight seal with silica. Thus, we decided instead to flow an oxygen-containing gas through the cell. A special apparatus was designed, built and perfected. A piece of InSb was placed on a horizontal silica plate in a quartz cell. High purity argon, helium or hydrogen-containing gas is passed continuously through the cell while the oxygen concentration in the effluent gas is measured. The shape of the resulting drop was used to determine contact angle and surface tension of Ga-doped and high purity InSb. Oxygen appeared to decrease the contact angle, and definitely did not increase it. The following section gives the background for the research. Section 2 summarizes the results obtained on Ga-doped InSb with relatively high oxygen concentrations. Section 3 describes recent improvements made to the apparatus and methods of analysis. Section 4 gives recent results for high-purity InSb at low oxygen concentrations. Final results will be obtained only this summer (2005). Each section has its own references.

Wilcox, William R.↗
DOE OSTI2025

Radioisotope Identification with List-Mode Gamma-Ray Data

This work explores the potential of utilizing temporal data from gamma-ray detectors, known as list-mode data, to enhance radioisotope identification. Traditional identification methods, which rely on full gamma-ray spectrum analysis, often require long dwell times and struggle with spectra containing similarly spaced spectral peaks. We hypothesize that by leveraging the probabilistic nature of nuclear decay and the time-encoded information from decay sequences and interactions with surrounding materials, we can improve classification accuracy over static spectral analysis. This research examines the temporal content of list-mode data through exploratory data analysis via correlation discovery and qualitative distribution analysis. Additionally, we propose a probabilistic classification model that can utilize spectral data, temporal data, or both to determine if the incorporation of temporal information improves radioisotope identification. Our findings suggest that the temporal information present in list-mode gamma-ray data has merit and should be further investigated to develop more robust and optimal methods for utilizing this temporal information in applications requiring radioisotope identification.

List-mode data↗
NASA NTRS1989

Nonlinear mesomechanics of composites with periodic microstructure

This work is concerned with modeling the mechanical deformation or constitutive behavior of composites comprised of a periodic microstructure under small displacement conditions at elevated temperature. A mesomechanics approach is adopted which relates the microimechanical behavior of the heterogeneous composite with its in-service macroscopic behavior. Two different methods, one based on a Fourier series approach and the other on a Green's function approach, are used in modeling the micromechanical behavior of the composite material. Although the constitutive formulations are based on a micromechanical approach, it should be stressed that the resulting equations are volume averaged to produce overall effective constitutive relations which relate the bulk, volume averaged, stress increment to the bulk, volume averaged, strain increment. As such, they are macromodels which can be used directly in nonlinear finite element programs such as MARC, ANSYS and ABAQUS or in boundary element programs such as BEST3D. In developing the volume averaged or efective macromodels from the micromechanical models, both approaches will require the evaluation of volume integrals containing the spatially varying strain distributions throughout the composite material. By assuming that the strain distributions are spatially constant within each constituent phase-or within a given subvolume within each constituent phase-of the composite material, the volume integrals can be obtained in closed form. This simplified micromodel can then be volume averaged to obtain an effective macromodel suitable for use in the MARC, ANSYS and ABAQUS nonlinear finite element programs via user constitutive subroutines such as HYPELA and CMUSER. This effective macromodel can be used in a nonlinear finite element structural analysis to obtain the strain-temperature history at those points in the structure where thermomechanical cracking and damage are expected to occur, the so called damage critical points of the structure.

Walker, Kevin P.↗
DOE OSTI2024

Effects of irradiation temperature on the microstructure and deuterium retention in γ-LiAlO 2 pellets

This report presents the experimental findings obtained from November 2023 to September 2024. The study aims to investigate the effects of temperature on the microstructure, deuterium (D) retention, and lithium (Li) loss in γ-LiAlO 2 pellets subjected to sequential He + and D + ion irradiation to a high dose. Sequential ion irradiation has been a key method in our previous studies to simulate the behavior of γ-LiAlO 2 under neutron irradiation. In addition to dose and dose rate, irradiation temperature is a critical factor influencing microstructural and compositional changes. LiAl 5 O 8 precipitates have been observed in γ-LiAlO 2 pellets irradiated with reactor neutrons at ~300°C. These precipitates also form during ion irradiation at an elevated temperature of 500°C, but not at 300°C. In our ion irradiation experiments, the dose rate is typically three orders of magnitude higher than that of neutron irradiation, leading to a more rapid damage production. To better emulate the microstructural features in neutron-irradiated pellets using ion irradiation, a higher irradiation temperature is needed to accelerate the diffusion of point defects and enhance defect recovery rates, thereby compensating for the effects of the higher dose rate. The microstructural changes observed are the result of competing processes occurring during ion irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Development of an Optical Library for Coevaporated CdSe x Te 1– x

The conversion efficiency of CdTe solar cells may be improved by bandgap engineering, i.e., changing the bandgap value through the addition of Se in the absorber. The Se alloying enables a short-circuit current density improvement, as it leads to a bandgap energy value decrease. Furthermore, it has been associated with increased minority carrier lifetimes, assuring high open-circuit voltage values. An Se gradient profile control can further optimize the solar cell performance. Thus, an optical model baseline of the CdSe x Te 1–x (CST) compound was developed. Spectroscopic ellipsometry measurements were conducted to accurately extract the optical constants of ten CST layers deposited through coevaporation with x varying from 0 to 1. Using the measured dielectric function spectra from the discrete CST layers with varying x, and considering the composition-induced shift in the critical point energies, an energy-shift model was employed to develop the accurate optical library for the CST compound for any x value to provide data for future modeling and optimization. Furthermore, the library accuracy was validated through optical simulations of the quantum efficiency of a graded CST solar cell using the finite-difference time-domain method by replicating the Se profile in the absorber layer measured through secondary ion mass spectrometry.

14 SOLAR ENERGY↗