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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Study for material analogs of FeSb 2 : Material design for thermoelectric materials

Using the ab initio evolutionary algorithm (implemented in uspex) and electronic structure calculations we investigate the properties of a new thermoelectric material FeSbAs, which is a material analog of the enigmatic thermoelectric FeSb 2 . We utilize the density functional theory and the Gutzwiller method to check the energetics. We find that FeSbAs can be made thermodynamically stable above ~ 30 GPa. We investigate the electronic structure and thermoelectric properties of FeSbAs based on the density functional theory and compare with those of FeSb 2 . Above 50 K, FeSbAs has higher Seebeck coefficients than FeSb 2 . Upon doping, the figure of merit becomes larger for FeSbAs than for FeSb 2 . Another material analog FeSbP, was also investigated, and found thermodynamically unstable even at very high pressure. Regarding FeSb 2 as a member of a family of compounds (FeSb 2 , FeSbAs, and FeSbP) we elucidate what are the chemical handles that control the gaps in this series. Here, we also investigate solubility (As or P for Sb in FeSb 2 ) we found As to be more soluble. Finally, we study a two-band model for thermoelectric properties and find that the temperature dependent chemical potential and the presence of the ionized impurities are important to explain the extremum in the Seebeck coefficient exhibited in experiments for FeSb 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Effects of Photovoltaic Module Materials and Design on Module Deformation Under Load

Static structural finite element models of an aluminum-framed crystalline silicon (c-Si) photovoltaic (PV) module and a glass-glass thin film PV module were constructed and validated against experimental measurements of deflection under uniform pressure loading. Parametric analyses using Latin Hypercube Sampling (LHS) were performed to propagate simulation input uncertainties related to module material properties, dimensions, and manufacturing tolerances into expected uncertainties in simulated deflection predictions. This exercise verifies the applicability and validity of finite element modeling for predicting mechanical behavior of solar modules across architectures and enables computational models to be used with greater confidence in assessment of module mechanical stressors and design for reliability. Sensitivity analyses were also performed on the uncertainty quantification data sets using linear correlation coefficients to elucidate the key parameters influencing module deformation. This information has implications on which materials or parameters may be optimized to best increase module stiffness and reliability, whether the key optimization parameters change with module architecture or loading magnitudes, and whether parameters such as frame design and racking must be replicated in reduced-scale reliability studies to adequately capture full module mechanical behavior.

14 SOLAR ENERGY↗
NASA NTRS2026

Computational Materials for Qualification and Certification (CM4QC) Strategy Document: Maturation of Computational Materials Methods for Aviation-Focused Qualification and Certification of Metal Additive Manufacturing (as an Example of Process-Intensive Materials)

Although considerable scientific and technological advances have been made in recent years in additive manufacturing (AM) processes, these advances have not translated into significant market penetration of AM parts within the aviation industry. It is broadly acknowledged that using traditional qualification and certification (Q&C) approaches for AM components is one of the most significant barriers to broader adoption of AM, resulting in high costs, long product development and certification timelines, and complex design iterations during the product development cycle. A new approach is urgently needed. This document lays out a vision for a new Q&C paradigm with increased use of computational materials (CM) methods aimed at decreasing the time and cost of Q&C of process-intensive material (PIM) approaches in the aviation industry, with AM as the immediate use case. This vision was developed with substantial input from industry, regulatory agencies, government research organizations, and academia.

Edward H Glaessgen↗
DOE OSTI2015

Bowtie filters for dedicated breast CT: Analysis of bowtie filter material selection

Purpose: For a given bowtie filter design, both the selection of material and the physical design control the energy fluence, and consequently the dose distribution, in the object. Using three previously described bowtie filter designs, the goal of this work is to demonstrate the effect that different materials have on the bowtie filter performance measures. Methods: Three bowtie filter designs that compensate for one or more aspects of the beam-modifying effects due to the differences in path length in a projection have been designed. The nature of the designs allows for their realization using a variety of materials. The designs were based on a phantom, 14 cm in diameter, composed of 40% fibroglandular and 60% adipose tissue. Bowtie design #1 is based on single material spectral matching and produces nearly uniform spectral shape for radiation incident upon the detector. Bowtie design #2 uses the idea of basis-material decomposition to produce the same spectral shape and intensity at the detector, using two different materials. With bowtie design #3, it is possible to eliminate the beam hardening effect in the reconstructed image by adjusting the bowtie filter thickness so that the effective attenuation coefficient for every ray is the same. Seven different materials were chosen to represent a range of chemical compositions and densities. After calculation of construction parameters for each bowtie filter design, a bowtie filter was created using each of these materials (assuming reasonable construction parameters were obtained), resulting in a total of 26 bowtie filters modeled analytically and in the PENELOPE Monte Carlo simulation environment. Using the analytical model of each bowtie filter, design profiles were obtained and energy fluence as a function of fan-angle was calculated. Projection images with and without each bowtie filter design were also generated using PENELOPE and reconstructed using FBP. Parameters such as dose distribution, noise uniformity, and scatter were investigated. Results: Analytical calculations with and without each bowtie filter show that some materials for a given design produce bowtie filters that are too large for implementation in breast CT scanners or too small to accurately manufacture. Results also demonstrate the ability to manipulate the energy fluence distribution (dynamic range) by using different materials, or different combinations of materials, for a given bowtie filter design. This feature is especially advantageous when using photon counting detector technology. Monte Carlo simulation results from PENELOPE show that all studied material choices for bowtie design #2 achieve nearly uniform dose distribution, noise uniformity index less than 5%, and nearly uniform scatter-to-primary ratio. These same features can also be obtained using certain materials with bowtie designs #1 and #3. Conclusions: With the three bowtie filter designs used in this work, the selection of material is an important design consideration. An appropriate material choice can improve image quality, dose uniformity, and dynamic range.

60 APPLIED LIFE SCIENCES↗