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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Furthering Advancement to Address Tough Problems Facing the Solar Energy Industry, Spurring the Next Wave of Solar Technology Innovations through Three Progressive Challenges and Cash Incentives (Final Report)

The American-Made Solar Prize is a prize competition from the U.S. Department of Energy that is designed to revitalize U.S. solar manufacturing. The competition aims to support the growth of U.S. solar manufacturing and reenergize American energy innovation by tapping into American's competitive spirit and the nation's unparalleled innovation ecosystem leveraging national labs, incubators, facilities and more. National Renewable Energy Lab (NREL) will provide technical and business advisement to the noted Solar Prize finalists. The CRADA Participant is in the process of developing a new continuous process for making silicon wafers for solar cells in a novel approach to horizontal ribbon growth. Under this CRADA, NREL will characterize the chemical, electrical, and crystallographic properties of the as-produced wafers to and work with the CRADA Participant to improve and modify processing conditions.

14 SOLAR ENERGY↗
NASA NTRS1979

Epitaxial silicon growth for solar cells

The epitaxial procedures, solar cell fabrication, and evaluation techniques are described. The development of baseline epitaxial solar cell structures grown on high quality conventional silicon substrates is discussed. Diagnostic layers and solar cells grown on four potentially low cost silicon substrates are considered. The crystallographic properties of such layers and the performance of epitaxially grown solar cells fabricated on these materials are described. An advanced epitaxial reactor, the rotary disc, is described along with the results of growing solar cell structures of the baseline type on low cost substrates. The add on cost for the epitaxial process is assessed and the economic advantages of the epitaxial process as they relate to silicon substrate selection are examined.

Daiello, R. V.↗
NASA NTRS2008

Synthetic (Hydrothermal) Hematite-Rich Mars-Analog Spherules from Acid-Sulfate Brines: Implications for Formation and Diagenesis of Hematite Spherules in Outcrops at Meridiani Planum, Mars

The Thermal Emission Spectrometer (TES) onboard the Mars Global Surveyor (MGS) orbiter discovered a large area at Meridiani Planum (MP) covered with the Fe-oxide hematite (alpha-Fe2O3) [1,2]. This discovery and favorable landing site characteristics led to selection of MP as the landing site for the Opportunity Mars Exploration Rover (MER) [3]. The Athena science payload onboard the Opportunity rover identified hematite-rich spherules (mean spherule diameter approx.4.2+/-0.8 mm) embedded in S-rich outcrop rock and also as lag deposits of whole and broken spherules [4,5,6,7,8,9]. Although the chemical and mineralogical compositions of spherules are not fully constrained, Moessbauer spectrometer (MB) Miniature Thermal Emission Spectrometer (Mini-TES) and chemical analyses from the Alpha Particle X-Ray Spectrometer (APXS) are consistent with a hematite mineralogical composition and an oxide bulk chemical composition consisting of Fe2O3. MGS-TES, also provides an important constraint that emission from the hematite-rich spherules is dominated by emission along the crystallographic c-axis [1,2,10,11]. The formation of hematite-rich spherules with similar chemical, mineralogical, morphological, and crystallographic properties to the MP spherules is rare on Earth, to date, only two natural analogs have been proposed; one from Utah (Navaho Concretions) and the other from Mauna Kea, Hawaii [12,13]. In this study, we synthesized in the laboratory hematite-rich spherules using conditions that may have existed on Early Mars [14] and compared their properties to those for MP hematite spherules of Mars and the analog spherules from Utah and Mauna Kea in order to assess their relative merit as MP hematite spherule analogs. Such comparisons yield clues to the formation pathway for MP spherules.

Golden, D. C.↗
NASA NTRS2026

Hematite Is a Mineralogical Marker of Ancient Climate Change on Mars

The ancient climate of Mars changed from warm to cold surface conditions. This climate transition is demonstrated by geomorphological evidence, but lacks suitable mineralogical indicators. We investigate the crystallographic properties of hematite (iron oxide) in Gale crater, measured by the Curiosity rover, and compare them to laboratory experiments. Hematite crystallite sizes are ~5 to ~65 nm in the oldest sedimentary rocks investigated by the rover (the Murray formation) and <10 nm in the younger overlying strata (Mirador and Carolyn Shoemaker formations). We attribute the larger crystallites in the Murray formation to post-depositional coarsening by groundwater in warm and wet conditions, which persisted for several million years. Hematite with small crystallites co-occurs with goethite (iron oxyhydroxide) in the overlying layers, consistent with colder and water- limited conditions.

Marek Szczerba↗
DOE OSTI2021

Correlating Crystallographic Orientation and Ferroic Properties of Twin Domains in Metal Halide Perovskites

Metal halide perovskite (MHP) solar cells have attracted worldwide research interest. Although it has been well established that grain, grain boundary, and grain facet affect MHPs optoelectronic properties, less is known about subgrain structures. Recently, MHP twin stripes, a subgrain feature, have stimulated extensive discussion due to the potential for both beneficial and detrimental effects of ferroelectricity on optoelectronic properties. Furthermore, connecting the ferroic behavior of twin stripes in MHPs with crystal orientation will be a vital step to understand the ferroic nature and the effects of twin stripes. In this work, we studied the crystallographic orientation and ferroic properties of CH 3 NH 3 PbI 3 twin stripes, using electron backscatter diffraction (EBSD) and advanced piezoresponse force microscopy (PFM), respectively. Using EBSD, we discovered that the orientation relationship across the twin walls in CH 3 NH 3 PbI 3 is a 90° rotation about ($\bar{11}0$), with the (030) and (111) directions parallel to the direction normal to the surface. By careful inspection of CH 3 NH 3 PbI 3 PFM results including in-plane and out-of-plane PFM measurements, we demonstrate some nonferroelectric contributions to the PFM responses of this CH 3 NH 3 PbI 3 sample, suggesting that the PFM signal in this CH 3 NH 3 PbI 3 sample is affected by nonferroelectric and nonpiezoelectric forces. If there is piezoelectric response, it is below the detection sensitivity of our interferometric displacement sensor PFM (<0.615 pm/V). Overall, this work offers an integrated picture describing the crystallographic orientations and the origin of PFM signal of MHPs twin stripes, which is critical to understanding the ferroicity in MHPs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Electromagnetic Characterization Of Metallic Sensory Alloy

Ferromagnetic shape-memory alloy (FSMA) particles undergo changes in both electromagnetic properties and crystallographic structure when strained. When embedded in a structural material, these attributes can provide sensory output of the strain state of the structure. In this work, a detailed characterization of the electromagnetic properties of a FSMA under development for sensory applications is performed. In addition, a new eddy current probe is used to interrogate the electromagnetic properties of individual FSMA particles embedded in the sensory alloy during controlled fatigue tests on the multifunctional material.

Wincheski, Russell A.↗
DOE OSTI2026

Solid-State Syntheses, Crystallographic Spatial Disorders, Thermal Behaviors, and Bandgaps of Hybrid Organic-Inorganic Manganese Halides: A2Mn(Cl/Br)4 (A = NH4+, C(NH2)3+, & C3H4N2+)

By systematically optimizing solid-state synthesis via the concerted use of differential scanning calorimetry and in-situ variable-temperature X-ray diffraction, we report the discovery of four new hybrid organic-inorganic manganese halides A2Mn(Cl/Br)4 (A = NH4+, C(NH2)3+, C3H4N2+), with emphasis on how the organic fragment geometry, polarity, and electron-donating properties influence crystallographic spatial disorders, thermal behaviors, and optical band gaps. With a nonpolar tetrahedral cation, as in (NH4)2MnCl4 (P21/c, mP30) or (NH4)2MnBr4 (C2/c, mC180), the direct optical bandgaps (4.36–4.28 eV) are wider than those with an organic nonpolar planar geometry, as in (C(NH2)3)2MnBr4 (P21/c, mP300, 4.07 eV), or an organic polar planar geometry, as in (C3H4N2+)2MnBr4 (I41/a, tI384, 4.05 eV). Furthermore, the organic components affect the spatial arrangement and dimensionality of the resulting inorganic frameworks comprised of Mn(Cl/Br)6 octahedra, with varying distortions, or spatially disordered MnBr4 tetrahedra. These resulting trends, coupled with the systematic investigation into synthesis, and the motivation behind elucidating the nuanced role of the organic cation, altogether expand upon the phase-space of hybrid materials beyond perovskites and demonstrate the potential for a rational design of hybrid materials with tailored optoelectronic functionalities for advanced energy applications.

Lee, Shannon J.↗
DOE OSTI2025

Evidence for In-Plane Electrical Polarization in 3R-β’-In 2 Se 3 Thin Films Grown by Molecular Beam Epitaxy

β-In 2 Se 3 has been identified as a potential ferroelectric. This work describes the growth of β-In 2 Se 3 via molecular beam epitaxy along with a description of its properties, including the search for switchable polarization in 3R-β’-In2Se3. The thin-film morphology, crystal structure, and phase maps of β-In 2 Se 3 on Si(111) and Al 2 O 3 (0001) were evaluated by atomic force microscopy, X-ray diffraction, and Raman spectroscopy as a function of the atomic Se/In flux ratio and growth temperature. Smooth β-In 2 Se 3 thin films were successfully realized on Si(111) at a substrate temperature of 150 °C using a Se/In flux ratio of 5.7, as well as on Al 2 O 3 (0001) at 450 °C using a Se/In flux ratio of 5.5. Scanning transmission electron microscopy (STEM) confirms the 3R polytype of β-In 2 Se 3 in films on both substrates, with a minor disorder associated with the 2H polytype at the interface. Indications of in-plane Se atom displacements characteristic of the 3R-β’-In 2 Se 3 polytype were found by STEM and second harmonic generation analysis in films on Al 2 O 3 (0001), but not in films on Si(111). Furthermore, attempts at electrical polarization switching did not produce compelling evidence for ferroelectricity. Instead, electrical transport measurements demonstrated locally varying anisotropic responses with the applied electric fields along different in-plane directions, with some hysteresis associated with the trapping of charges.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A practical guide for crystal growth of van der Waals layered materials

This Tutorial provides an overview of the techniques that are most commonly utilized to grow bulk van der Waals crystals. The materials discussed were selected to highlight various challenges that are often encountered during crystal growth. Additionally, in relatively equal parts, the text covers melt-based techniques, vapor transport growths, and the characterization of crystal quality with an emphasis on structural and chemical homogeneities. Furthermore, pertinent details are given regarding the growth and characterization of many specific compounds, with examples mostly drawn from our own research, and an effort is made to highlight cases where the growths offer a particular lesson or the conditions have a significant impact on the crystal’s physical properties. A primary goal is to motivate more researchers to grow crystals by providing general descriptions and considerations for different growth techniques and equipment while sharing some of our own lessons learned and best practices for the growth and characterization of layered van der Waals crystals. The Tutorial is not written solely for aspiring crystal growers, however, because any researcher who collaborates with a crystal grower can benefit from having a greater understanding and appreciation of the processes of crystal growth and materials development.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Can a deep-learning model make fast predictions of vacancy formation in diverse materials?

The presence of point defects, such as vacancies, plays an important role in materials design. Here, we explore the extrapolative power of a graph neural network (GNN) to predict vacancy formation energies. We show that a model trained only on perfect materials can also be used to predict vacancy formation energies (E vac ) of defect structures without the need for additional training data. Such GNN-based predictions are considerably faster than density functional theory (DFT) calculations and show potential as a quick pre-screening tool for defect systems. To test this strategy, we developed a DFT dataset of 530 E vac consisting of 3D elemental solids, alloys, oxides, semiconductors, and 2D monolayer materials. We analyzed and discussed the applicability of such direct and fast predictions. We applied the model to predict 192 494 E vac for 55 723 materials in the JARVIS-DFT database. Our work demonstrates how a GNN-model performs on unseen data.

2D materials↗
NASA NTRS2010

Development of Metallic Sensory Alloys

Existing nondestructive evaluation (NDE) technologies are inherently limited by the physical response of the structural material being inspected and are therefore not generally effective at the identification of small discontinuities, making the detection of incipient damage extremely difficult. One innovative solution to this problem is to enhance or complement the NDE signature of structural materials to dramatically improve the ability of existing NDE tools to detect damage. To address this need, a multifunctional metallic material has been developed that can be used in structural applications. The material is processed to contain second phase sensory particles that significantly improve the NDE response, enhancing the ability of conventional NDE techniques to detect incipient damage both during and after flight. Ferromagnetic shape-memory alloys (FSMAs) are an ideal material for these sensory particles as they undergo a uniform and repeatable change in both magnetic properties and crystallographic structure (martensitic transformation) when subjected to strain and/or temperature changes which can be detected using conventional NDE techniques. In this study, the use of a ferromagnetic shape memory alloy (FSMA) as the sensory particles was investigated.

Wallace Terryl A.↗
NASA NTRSDate not supplied

TPSAS-NF1676L-13664-DND

The safety of aerospace vehicles is largely dependent on the ability of modern non-destructive evaluation (NDE) tools to accurately detect structural damage before a critical flaw size is reached. However, existing NDE technologies are inherently limited by the physical response of the materials being inspected making the detection of small cracks or pre-crack damage difficult. One innovative solution to this problem is to create a multifunctional metallic material that can be used in structural applications and contains second phase sensory particles that significantly enhance the ability of conventional NDE techniques to detect incipient damage during use and at regularly scheduled inspections. Ferromagnetic shape-memory alloys (FSMAs) are an ideal material for use as this second phase material as they undergo a uniform and repeatable change in both magnetic properties and crystallographic structure when strained. These changes are more readily detected than small cracks, thereby, allowing for enhanced detection of damage by conventional NDE techniques. In this study, a multifunctional metallic material was produced by embedding the sensory material particles within an aluminum alloy to form a sensory alloy. The NDE response of the FSMA and the sensory alloy during tension/compression and fatigue loading have been investigated. These results suggest that sensory alloys can be utilized for improved on-board structural health monitoring and to improve the accuracy and reduce time for ground-based inspection.

T. A. Wallace↗
NASA NTRS1981

Anisotropic tribological properties of silicon carbide

The effects of crystallographic orientation on the tribological properties of single-crystal silicon carbide surfaces in contact with various solids are investigated for adhesive and abrasive wear processes. In the adhesive wear process, the adhesion and wear of silicon carbide is found to be markedly dependent on crystallographic orientation. The force resisting shearing fracture of the adhesive bonds at the interface is lower in preferred crystallographic direction of slip. In the abrasive wear process, the 1 0 -1 0 direction on the basal plane of silicon carbide exhibits the lowest coefficient of friction and the greatest resistance to abrasion.

Miyoshi, K.↗
NASA NTRS1987

Solidification Effects in MAR-M246(Hf) Alloy

Fatigue properties degraded with crystallographic orientations greater than 10 degrees from {001} axis. Influence of solidification and heat-treatment parameters on structure and fatigue properties of nickel-based superalloy MAR-M246(Hf) described in 24-page report. Superalloys have high strength and corrosion resistance at temperatures up to 1,400 degrees C; their uses range from petrochemical equipment to marine, industrial, aircraft, and vehicular gas turbines.

Johnston, M. H.↗
DOE OSTI2021

Morphology, microstructure, and doping behaviour: A comparison between different deposition methods for poly-Si/SiO x passivating contacts

In this work, we study how crystallographic structures, optoelectronic properties, and nanoscale surface morphologies of ex situ phosphorus-doped polycrystalline silicon (poly-Si)/SiO x passivating contacts, formed by different deposition methods (sputtering, plasma-enhanced chemical vapour deposition [PECVD], and low-pressure chemical vapour deposition [LPCVD]), are investigated and compared. Across all these deposition technologies, we noted the same trend: higher diffusion temperatures yield films that are more crystalline but that have rougher surface morphologies due to bigger surface crystal grains. Also, the recrystallization process of the as-deposited Si films starts from the SiO x interface, rather than from the film surface and bulk. However, there are some distinct differences among these technologies. First, the LPCVD method yields the lowest deposition rate, roughest surfaces, and smallest degree of crystallinity on finished poly-Si films. In contrast, the PECVD method has the highest deposition rate and smoothest surfaces for both as-deposited Si and annealed poly-Si films. Second, as-deposited sputtered and PECVD Si films contain only an amorphous phase, whereas as-deposited LPCVD films already has some crystalline phase. Third, the LPCVD phosphorus in-diffusion into the substrate depends strongly on the initial film thickness, whereas for the other two methods, it is weakly dependent on thickness. Finally, the passivation quality of every poly-Si film type has different responses to the film thickness and diffusion temperature, suggesting that the ex situ doping optimization should be performed independently.

14 SOLAR ENERGY↗
DOE OSTI2020

One Structure, Two Elements—LuGe 2 Superconductor vs Ordinary Metallic Conductor LuSn 2 . A Case Study on How Site-Selective Germanium for Tin Atom Substitution Leads to Modulating of the Charge Distribution

The substitution of chemically similar elements in a given crystal structure is an effective way to enhance physical properties, but the understanding on such improvements is usually impeded because the substitutions are random, and the roles of the different atoms cannot be distinguished by crystallographic symmetry. Herein, we provide a detailed crystallographic analysis and property measurements for the continuous solid solutions LuGe x Sn 2–x (0 < x < 2). The results show that there is no apparent change of the global symmetry, with the end-members LuGe 2 and LuSn 2 , as well as the intermediate LuGe x Sn 2–x compositions adopting the ZrSi 2 type structure (space group Cmcm, Pearson index oC12). Yet, the refinements of the crystal structures from single-crystal X-ray diffraction data show that Ge–Sn atom substitutions are not random, but occur preferentially at the zig-zag chain. The patterned distribution of two group 14 elements leads to a significant variation in chemical bonding and charge ordering within the other structural fragment, the 2D square nets, thereby resulting in tuned electron transport. The enhancement is greater than the typical Bloch-Gruneisen model, and more akin to the parallel-resistor model. Magnetization measurements on single crystals show bulk superconductivity in all LuGe x Sn 2–x samples with shielding fractions as high as 90%. Specific heat data confirm the effect to originate from residual metallic tin in the material, indicating that Sn atom substitutions in the 2D square nets cause disruptions of the hypervalent bonding and local anisotropy, which ultimately leads to vanishing of the superconducting state in the end-member LuGe 2 . This work sheds light on how the complexity in chemical interactions by two different carbon congeners leads to changes in the physical properties and how they can be correlated with the induced charge distribution. Furthermore, these studies also provide a general approach to modulation of charge density, and thus, of emerging physical properties in other classes of intermetallic systems based on the main-group elements of groups 13 to 15.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗