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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Reactor physics characterization of triply periodic minimal surface-based nuclear fuel lattices

Triply periodic minimal surface (TPMS) lattices are receiving substantial attention in numerous engineering fields due to their impressive topology-driven physical characteristics. TPMS lattices are periodic structures of two distinct intertwined volume domains separated by an area-minimizing surface or wall. TPMS lattices have been observed in nature, such as biological membranes, skeletons, block copolymers, sea urchins, butterfly wings, and equipotential surfaces in crystals. Intriguingly, the topology of TPMS lattices can be easily parametrized via level-set equations and thus are heavily numerically and experimentally studied. Here, a significant research effort is currently applying TPMS lattices for heat exchangers and sinks. This paper extends TPMS lattice applications to nuclear reactor fuel designs, with a focus on identifying relevant TPMS geometric parameters controlling neutronics characteristics, such as reactivity, neutron spectrum, and heat removal properties. We found that fuel surface-area-to-volume ratios for TPMS lattices can be two orders of magnitude larger than current cylindrical fuel rods. Further, the selected TPMS lattice and its implicit equation, the unit cell pitch, wall thickness, and structure porosity are design parameters enabling neutronics optimization for both thermal and fast spectrum configurations, paving the way for exceptionally compact and dense nuclear core concepts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Morphology-driven oxygen evolution performance of NiO x nanostructures and implications for hole transport in perovskite solar cells

Morphology-controlled nanostructures provide an effective strategy to modulate both oxygen evolution reaction (OER) activity and photovoltaic performance in perovskite solar cells (PSCs). However, achieving low OER overpotentials and high power conversion efficiency (PCE) simultaneously through morphology engineering remains challenging. In this work, nickel oxide (NiO x ) nanostructures with spindle-like (NiO x -NS) and plate-like (NiO x -NP) morphologies were synthesized and evaluated as bi-functional OER catalysts and hole transport layers (HTLs) in inverted PSCs. Structural and thermal analyses reveal that NiO x -NS crystallizes into a cubic phase at a lower temperature (300 °C), whereas NiO x -NP requires higher calcination temperatures, reflecting differences in precursor microstructure. Electrochemical measurements indicate that NiO x -NS calcined at 300 °C delivers the lowest OER overpotential (395 mV at 10 mA cm −2 ), outperforming NiO x -NP calcined at 400 °C (565 mV) and 500 °C (474 mV). This enhanced activity is ascribed to favorable surface strain, increased defect density, and advantageous facet exposure. When used as HTLs, NiO x -NS also delivers the highest PCE (13.25%) among all tested devices, exceeding those based on NiO x -NP and commercial NiO x , owing to improved hole extraction and interfacial contact. Overall, this study highlights the importance of morphology control and thermal processing in tailoring NiO x for multifunctional nanomaterials in electrocatalytic and photovoltaic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Divergent evolution of extreme production of variant plant monounsaturated fatty acids

Metabolic extremes provide opportunities to understand enzymatic and metabolic plasticity and biotechnological tools for novel biomaterial production. We discovered that seed oils of many Thunbergia species contain up to 92% of the unusual monounsaturated petroselinic acid (18:1Δ6), one of the highest reported levels for a single fatty acid in plants. Supporting the biosynthetic origin of petroselinic acid, we identified a Δ6-stearoyl-acyl carrier protein (18:0-ACP) desaturase from Thunbergia laurifolia , closely related to a previously identified Δ6-palmitoyl-ACP desaturase that produces sapienic acid (16:1Δ6)-rich oils in Thunbergia alata seeds. Guided by a T. laurifolia desaturase crystal structure obtained in this study, enzyme mutagenesis identified key amino acids for functional divergence of Δ6 desaturases from the archetypal Δ9-18:0-ACP desaturase and mutations that result in nonnative enzyme regiospecificity. Furthermore, we demonstrate the utility of the T. laurifolia desaturase for the production of unusual monounsaturated fatty acids in engineered plant and bacterial hosts. Through stepwise metabolic engineering, we provide evidence that divergent evolution of extreme petroselinic acid and sapienic acid production arises from biosynthetic and metabolic functional specialization and enhanced expression of specific enzymes to accommodate metabolism of atypical substrates.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2015

Development of NASA's Sample Cartridge Assembly: Design, Thermal Analysis, and Testing

NASA's Sample Cartridge Assembly (SCA) project is responsible for designing and validating a payload that contains a materials research sample in a sealed environment. The SCA will be heated in the European Space Agency's (ESA) Low Gradient Furnace (LGF) that is housed inside the Material Science Research Rack (MSRR) located in the International Space Station (ISS). Sintered metals and crystal growth experiments in microgravity are examples of some of the types of materials research that may be performed with a SCA. The project's approach has been to use thermal models to guide the SCA through several design iterations. Various layouts of the SCA components were explored to meet the science and engineering requirements, and testing has been done to help prove the design. This paper will give an overview of the SCA design. It will show how thermal analysis is used to support the project. Also some testing that has been completed will also be discussed, including changes that were made to the thermal profile used during brazing.

O'Connor, Brian↗
NASA NTRS2016

Slow Crack Growth of Germanium

The fracture toughness and slow crack growth parameters of germanium supplied as single crystal beams and coarse grain disks were measured. Although germanium is anisotropic (A=1.7), it is not as anisotropic as SiC, NiAl, or Cu, as evidence by consistent fracture toughness on the 100, 110, and 111 planes. Germanium does not exhibit significant slow crack growth in distilled water. (n=100). Practical values for engineering design are a fracture toughness of 0.7 MPam and a Weibull modulus of m=6+/-2. For well ground and reasonable handled coupons, fracture strength should be greater than 30 MPa.

Stress Corrosion Susceptibility↗
DOE OSTI2025

Band Gap Engineering and Metastable Phase Discovery in Cu 2 BaSnS 4– x Se x Nanocrystals via Topotactic Anion Exchange

Earth-abundant multinary inorganic chalcogenides, such as Cu 2 BaSnS 4–x Se x (CBTSSe), have emerged as promising absorbers for next-generation solar cells. However, accessing colloidal CBTSSe nanocrystals, including metastable polymorphs with more favorable optoelectronic properties, remains a critical synthetic challenge. Herein, we report the first use of topotactic anion exchange to access metastable crystal structures in soft chemistry syntheses. By varying the stoichiometry of selenium precursors, we directly synthesize Cu 2 BaSnS 4–x Se x (0 ≤ x ≤ 4) nanocrystals with a broad band gap tunability of 1.51–2.04 eV. At x = 4, a new metastable trigonal phase of Cu 2 BaSnSe 4 is isolated. This phase arises via an in-situ topotactic anion exchange from sulfur-rich Cu 2 BaSnS 4–x Se x intermediates, while retaining both the cation sublattice and overall nanocrystal morphology. The trigonal Cu 2 BaSnSe 4 exhibits a nearly direct band gap that is 280 meV lower than its thermodynamically stable orthorhombic counterpart, aligning more closely with the optimal band gap for single-junction solar cells. In contrast, a post-synthetic anion exchange route leads to the thermodynamically preferred orthorhombic polymorph, pointing to the critical nature of the in-situ transformation. Our findings open a versatile pathway for both polymorphic and morphological control in colloidal nanocrystals, expanding the synthetic design space for new optoelectronic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Decomposition of PVDF to delaminate cathode materials from end-of-life lithium-ion battery cathodes

The growing demand of electric vehicles and rapid consumption of rechargeable lithium-ion batteries (LIBs) require recycling of spent cathode active materials (CAMs) to reduce hazardous wastes and supply raw materials to LIB production. To separate CAMs from the cathode, direct calcination of polyvinylidene fluoride (PVDF) binder is widely applied, which leads to high energy consumption and release of toxic hydrogen fluoride. It is desirable to have an environmentally friendly and effective alternative to traditional direct calcination. In this study, five lithium salts, LiOAc (lithium acetate), LiNO 3 , LiCl, Li 2 CO 3 , and Li 2 SO 4 , were deployed and compared for their performance in recycling CAMs. A peel-off efficiency of up to 98.5% was achieved at a LiOAc to LiNO 3 molar ratio of 3:2, salt to cathode mass ratio of 10:1, and temperature of 300 °C at a holding time of 30 min. This system avoids corrosive chemicals and minimizes particle agglomeration of recycled products. Compared with sodium salt systems (NaOAc-NaNO 3 ) or direct calcination, the LiOAc-LiNO 3 system prevented high reaction temperature or further lithium loss and minimized crystal structure and morphological changes. In conclusion, a decomposition mechanism of PVDF through adsorption of HF and fluorine substitution was proposed.

25 ENERGY STORAGE↗
DOE OSTI2021

Doping-modulated strain control of bifunctional electrocatalysis for rechargeable zinc–air batteries

Changes in the local atomic arrangement in a crystal caused by lattice-mismatch-induced strain can efficiently regulate the performance of electrocatalysts for zinc–air batteries (ZABs) in many manners, mainly due to modulated electronic structure configurations that affect the adsorption energies for oxygen-intermediates formed during oxygen reduction and evolution reactions (ORR and OER). However, the application of strain engineering in electrocatalysis has been limited by the strain relaxation caused by structural instability such as dissolution and destruction, leading to insufficient durability towards the ORR/OER. In this work, we propose a doping strategy to modulate the phase transition and formation of self-supported cobalt fluoride–sulfide (CoFS) nanoporous films using a low amount of copper (Cu) as a dopant. This well-defined Cu–CoFS heterostructure overcomes the obstacle of structural instability. Our study of the proposed Cu–CoFS also helps establish the structure–property relationship of strained electrocatalysts by unraveling the role of local strain in regulating the electronic structure of the catalyst. As a proof-of-concept, the Cu–CoFS electrocatalyst with doping-modulated strain exhibited superior onset potentials of 0.91 V and 1.49 V for the ORR and OER, respectively, surpassing commercial Pt/C@RuO 2 and benchmarking non-platinum group metal (non-PGM) catalysts. ZABs with the Cu–CoFS catalyst delivered excellent charge/discharge cycling performance with an extremely low voltage gap of 0.5 V at a current density of 10 mA cm –2 and successively 0.93 V at a high current density of 100 mA cm –2 and afforded an outstanding peak power density of 255 mW cm –2 .

25 ENERGY STORAGE↗
DOE OSTI2022

Impact of processing conditions on the film formation of lead-free halide double perovskite Cs 2 AgBiBr 6

Lead-free halide double perovskites with enhanced stability have gained attention as a promising environmentally friendly alternative to lead-based halide perovskites. Amongst different halide double perovskites, Cs 2 AgBiBr 6 has shown attractive optoelectronic properties and stability, making it a promising candidate for stable high-efficiency optoelectronic devices. Motivated by a data mining effort, we present here in this study the effects of different processing strategies on the microstructure and thin-film formation dynamics of Cs 2 AgBiBr 6 . We apply some of the most successfully used solvent engineering approaches from the halide perovskite research to halide double perovskites, namely antisolvent- and additive-assisted synthesis. Using in situ spectroscopy and diffraction, the film formation of Cs 2 AgBiBr 6 is investigated during spin coating, and the subsequent post-deposition thermal annealing. Dropping antisolvents during spin coating induces immediate supersaturation and crystallization of the wet film, whereas the time of dropping the antisolvent has implications on the film formation dynamics and the final microstructure. For additive (HBr)-assisted synthesis, we show how the addition of HBr affects colloid formation in solution and thus influences the crystallization pathway during thin-film processing. Finally, HBr additive simplifies synthesis in that it doesn't require solution and substrate preheating to obtain pinhole-free films even with higher thickness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Promises and technological prospects of two-dimensional Rashba materials

The Rashba spin–orbit coupling effect, primarily arising from structural-inversion asymmetry in periodic crystals, has garnered considerable attention due to its tunability and potential applications in spintronics. Its capability to manipulate electron spin without an external magnetic field opens new avenues for spintronic device design, particularly in semiconductor technology. Within this framework, 2D Rashba materials hold special interest due to their inherent characteristics, which facilitate miniaturization and engineering capabilities. In this Perspective article, we provide an overview of recent advancements in the research of 2D Rashba materials, aiming to offer a comprehensive understanding of the diverse manifestations and multifaceted implications of the Rashba effect in material science. Rather than merely presenting a list of materials, our approach involves synthesizing various viewpoints, assessing current trends, and addressing challenges within the field. Our objective is to bridge the gap between fundamental research and practical applications by correlating each material with the necessary advancements required to translate theoretical concepts into tangible technologies. Furthermore, we highlight promising avenues for future research and development, drawing from insights gleaned from the current state of the field.

Physics↗
DOE OSTI2023

Lithium niobate photonics: Unlocking the electromagnetic spectrum

Lithium niobate (LN), first synthesized 70 years ago, has been widely used in diverse applications ranging from communications to quantum optics. These high-volume commercial applications have provided the economic means to establish a mature manufacturing and processing industry for high-quality LN crystals and wafers. Breakthrough science demonstrations to commercial products have been achieved owing to the ability of LN to generate and manipulate electromagnetic waves across a broad spectrum, from microwave to ultraviolet frequencies. Here, we provide a high-level Review of the history of LN as an optical material, its different photonic platforms, engineering concepts, spectral coverage, and essential applications before providing an outlook for the future of LN.

42 ENGINEERING↗
NASA NTRS1992

Integration and use of Microgravity Research Facility: Lessons learned by the crystals by vapor transport experiment and Space Experiments Facility programs

The Crystals by Vapor Transport Experiment (CVTE) and Space Experiments Facility (SEF) are materials processing facilities designed and built for use on the Space Shuttle mid deck. The CVTE was built as a commercial facility owned by the Boeing Company. The SEF was built under contract to the UAH Center for Commercial Development of Space (CCDS). Both facilities include up to three furnaces capable of reaching 850 C minimum, stand-alone electronics and software, and independent cooling control. In addition, the CVTE includes a dedicated stowage locker for cameras, a laptop computer, and other ancillary equipment. Both systems are designed to fly in a Middeck Accommodations Rack (MAR), though the SEF is currently being integrated into a Spacehab rack. The CVTE hardware includes two transparent furnaces capable of achieving temperatures in the 850 to 870 C range. The transparent feature allows scientists/astronauts to directly observe and affect crystal growth both on the ground and in space. Cameras mounted to the rack provide photodocumentation of the crystal growth. The basic design of the furnace allows for modification to accommodate techniques other than vapor crystal growth. Early in the CVTE program, the decision was made to assign a principal scientist to develop the experiment plan, affect the hardware/software design, run the ground and flight research effort, and interface with the scientific community. The principal scientist is responsible to the program manager and is a critical member of the engineering development team. As a result of this decision, the hardware/experiment requirements were established in such a way as to balance the engineering and science demands on the equipment. Program schedules for hardware development, experiment definition and material selection, flight operations development and crew training, both ground support and astronauts, were all planned and carried out with the understanding that the success of the program science was as important as the hardware functionality. How the CVTE payload was designed and what it is capable of, the philosophy of including the scientists in design and operations decisions, and the lessons learned during the integration process are descussed.

Heizer, Barbara L.↗
DOE OSTI2024

Simplifying Ceramic Waste Form Processing

The glass-bonded sodalite ceramic waste form (CWF) was developed in the 1990s to immobilize chloride salt-bearing waste streams generated during treatment of spent sodium-bonded nuclear fuel. This was necessary because chloride salts are essentially insoluble in borosilicate glasses (on the order of 1%). In the CWF, synthetic sodalite (Na 8 [Al 6 Si 6 O 24 ]Cl 2 ) is generated by the reaction of zeolite 4A and NaCl during processing to sequester the chlorine. The resulting sodalite crystals become microencapsulated in borosilicate glass. Based on the current understanding of the reactions involved and advancements in pyroprocessing operations in which the waste salt is generated, the processes developed for producing fullsize CWF materials with waste salt may be unnecessarily complicated. Aspects of processing that could be simplified and initial studies to justify further engineering development are recommended.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1997

Design and Fabrication of a Dielectric Total Internal Reflecting Solar Concentrator and Associated Flux Extractor for Extreme High Temperature (2500K) Applications

The Analex Corporation, under contract to the NASA Lewis Research Center (LeRC), Cleveland, Ohio, recently evaluated the feasibility of utilizing refractive secondary concentrators for solar heat receivers operating at temperatures up to 2500K. The feasibility study pointed out a number of significant advantages provided by solid single crystal refractive devices over the more conventional hollow reflective compound parabolic concentrators (CPCs). In addition to the advantages of higher concentration ratio and efficiency, the refractive concentrator, when combined with a flux extractor rod, provides for flux tailoring within the heat receiver cavity. This is a highly desirable, almost mandatory, feature for solar thermal propulsion engine designs presently being considered for NASA and Air Force thermal applications. Following the feasibility evaluation, the NASA-LeRC, NASA-Marshall Space Flight Center (MSFC), and Analex Corporation teamed up to design, fabricate, and test a refractive secondary concentrator/flux extractor system for potential use in the NASA-MSFC "Shooting Star" flight experiment. This paper describes the advantages and technical challenges associated with the design methodologies developed and utilized and the material and fabrication limitations encountered.

Soules, Jack A.↗
DOE OSTI2022

Direct Laser Impulse (DLI) System Alignment: Requirements Engineering Project

The National Ignition Facility (NIF) is the world’s largest and most energetic laser, and it is comprised of 192 laser beams that must align onto one target for the purpose of learning about Internal Confinement Fusion (ICF) and High Energy Density (HED) physics. A new NIF capability under development is the Direct Laser Impulse (DLI). The DLI capability will provide a test environment where high pulsed laser energy is delivered to a three-dimensional target. Achieving this delivery to target relies on a precision alignment and positioning of the two redirected NIF beams, as shown in Figure 1. When aligned, the two combined beams—with a frequency converted from infrared (IR) to green laser light, at a fluence (energy per unit area) of roughly 20 joules per square centimeter—will be capable of delivering up to 30 kilojoules of direct, unfocused energy to a one cubic foot target. The 40-cm x 40-cm aligned impulse area at the DLI target interaction plane (TIP) is achieved by using a beam path comprised of pickoff and transport mirrors, frequency conversion crystals, optics serving as environmental barriers, and debris shields. A separate aligned diagnostic beam path is also required for impulse to TIP characterization. Final in-situ alignment is required for the two populated diverted NIF beam paths onto the DLI target as well as the diagnostic optical beam path. Existing NIF alignment subsystems do not offer references that meet DLI’s unique demand. The new DLI Red Box, which has been designed to allow for alignment, has been shown to require deviation from the intended configuration and operational use case to obtain adequate functionality. A systems engineering evaluation has identified a solution that meets the stakeholder requirements while optimizing key performance parameters. The solution, referred to in this document as the Red Box “+” Rotated, was determined to be an improved version of the current DLI Red Box. This system offers improved system repeatability and alignment stability while maintaining similar interfaces and decreasing the demand for engineer/operator interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Precise Fermi level engineering in a topological Weyl semimetal via fast ion implantation

The precise controllability of the Fermi level is a critical aspect of quantum materials. For topological Weyl semimetals, there is a pressing need to fine-tune the Fermi level to the Weyl nodes and unlock exotic electronic and optoelectronic effects associated with the divergent Berry curvature. However, in contrast to two-dimensional materials, where the Fermi level can be controlled through various techniques, the situation for bulk crystals beyond laborious chemical doping poses significant challenges. Here, we report the milli-electron-volt (meV) level ultra-fine-tuning of the Fermi level of bulk topological Weyl semimetal tantalum phosphide using accelerator-based high-energy hydrogen implantation and theory-driven planning. By calculating the desired carrier density and controlling the accelerator profiles, the Fermi level can be experimentally fine-tuned from 5 meV below, to 3.8 meV below, to 3.2 meV above the Weyl nodes. High-resolution transmission electron microscopy reveals the crystalline structure is largely maintained under irradiation, while electrical transport indicates that Weyl nodes are preserved and carrier mobility is also largely retained. Our work demonstrates the viability of this generic approach to tune the Fermi level in semimetal systems and could serve to achieve property fine-tuning for other bulk quantum materials with ultrahigh precision.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modeling Microstructural Effects on Heterogeneous Temperature Fields within Polycrystalline Explosives

The paper addresses the role of crystal anisotropy on the evolution of heterogeneous temperature fields in plastic-bonded explosives (PBXs) under conditions of weak shock. The modeling approach is based on simplified idealizations of PBX microstructure including RDX grains and estane binder regions subjected to velocity boundary conditions representative of impact conditions in situ. The constitutive description of the microstructure constituents includes a dislocation-based, anisotropic, single crystal plasticity model for the explosive grains and a linear viscoelastic model to represent the estane binder. Large suites of simulations were used to systematically study the correlation in heating of the grains with local wave dynamics, crystal orientation, and the microstructural neighborhood. These correlations were identified through the selection of characteristics of crystal anisotropy including oriented wave speeds and Taylor factor. A key observation is that the wave dispersion within a certain distance from the impact interface plays a dominant role in the temperature field. Beyond this distance, individual crystal orientations play a more dominant role, but cannot entirely account for the observed heterogeneity without consideration of the local microstructure neighborhood.

42 ENGINEERING↗
DOE OSTI2020

Feedback regulation of crystal growth by buffering monomer concentration

Abstract Crystallization is a ubiquitous means of self-assembly that can organize matter over length scales orders of magnitude larger than those of the monomer units. Yet crystallization is notoriously difficult to control because it is exquisitely sensitive to monomer concentration, which changes as monomers are depleted during growth. Living cells control crystallization using chemical reaction networks that offset depletion by synthesizing or activating monomers to regulate monomer concentration, stabilizing growth conditions even as depletion rates change, and thus reliably yielding desired products. Using DNA nanotubes as a model system, here we show that coupling a generic reversible bimolecular monomer buffering reaction to a crystallization process leads to reliable growth of large, uniformly sized crystals even when crystal growth rates change over time. Buffering could be applied broadly as a simple means to regulate and sustain batch crystallization and could facilitate the self-assembly of complex, hierarchical synthetic structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗