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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Water-Moderated U(4.31)O 2 Fuel Rod Lattices Containing Rhodium Foils

The US Department of Energy Nuclear Energy Research Initiative (NERI) funded the Burnup Credit Critical Experiment (BUCCX) at Sandia National Laboratories. The BUCCX was designed to investigate the effect of fission product materials on critical systems. The BUCCX assembly was a water-moderated and -reflected array of Zircaloy-clad triangular-pitched U(4.31%)0 2 fuel elements. Some of the fuel elements could be opened to allow placement of experiment materials between the fuel pellets in the element. The ten BUCCX critical experiments reported here test the effect of the fission product rhodium on the assembly. The calculated reactivity worth of the rhodium in the experiments ranged from 0% for cases with no rhodium to a maximum of 3.5% of k eff .

103-1-↗
DOE OSTI2019

Titanium and/or Aluminum Sleeve Experiments in Fully-Reflected Water-Moderated U(4.31)O 2 Fuel Rod Lattices with 2.8 cm Pitch.

The US Department of Energy Nuclear Energy Research Initiative (NERI) funded the Bumup Credit Critical Experiment (BUCCX) at Sandia National Laboratories. The BUCCX was designed to investigate the effect of fission product materials on critical systems. The BUCCX assembly is a water-moderated and -reflected array of Zircaloy-clad triangular-pitched U(4.31)02 fuel elements. The original BUCCX experiments with rhodium are evaluated in LEU-COMP-THERM-079. In the experiments here, sets of up to 60 experiment titanium and aluminum sleeves with nominal outside diameter of 1 in (2.54 cm), wall thickness of 0.035 in (0.0889 cm), and length of 19.60 (49.784 cm) were fabricated. The sleeves are approximately the same length as the fueled section of the fuel elements and have an inner diameter that is 0.421 in (1.0693 cm) larger than the fuel elements. This allows for each sleeve to be centered around a fuel element between the grid plates within the array. Configurations differ by the number and location of sleeves. The seventeen BUCCX critical experiments reported here compare the effects of the titanium and aluminum sleeves on nearly critical fuel assembly arrays.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Exact signed distance fields using parallel Fast Sweeping Method

Signed distance fields are often used in multiphysics simulations to track material interfaces. We present a simple methodology based on the fast sweeping method to generate the exact signed distance from triangular meshes and linear paths on Cartesian grids. The methodology propagates the closest primitive to the boundary to the rest of the domain following the characteristics. A local upwind criterion is used to decide between the new and existing closest primitive at each grid point while capturing the correct sign of the global function. The methodology has optimal computational complexity and runs efficiently in distributed-memory architectures. We include 2D and 3D test cases along with a resolution study up to 0.512 trillion zones and 1,000 computer cores. The solution strategy can also be applied to other types of meshes or collections of primitives.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Mass Efficiencies for Common Large-Scale Precision Space Structures

This paper presents a mass-based trade study for large-scale deployable triangular trusses, where the longerons can be monocoque tubes, isogrid tubes, or coilable longeron trusses. Such structures are typically used to support heavy reflectors, solar panels, or other instruments, and are subject to thermal gradients that can vary a great deal based on orbital altitude, location in orbit, and self-shadowing. While multi layer insulation (MLI) blankets are commonly used to minimize the magnitude of these thermal disturbances, they subject the truss to a nonstructural mass penalty. This paper investigates the impact of these add-on thermal protection layers on selecting the lightest precision structure for a given loading scenario.

triangular truss↗
NASA NTRS2009

Decomposition Algorithm for Global Reachability Analysis on a Time-Varying Graph with an Application to Planetary Exploration

Hot air (Montgolfiere) balloons represent a promising vehicle system for possible future exploration of planets and moons with thick atmospheres such as Venus and Titan. To go to a desired location, this vehicle can primarily use the horizontal wind that varies with altitude, with a small help of its own actuation. A main challenge is how to plan such trajectory in a highly nonlinear and time-varying wind field. This paper poses this trajectory planning as a graph search on the space-time grid and addresses its computational aspects. When capturing various time scales involved in the wind field over the duration of long exploration mission, the size of the graph becomes excessively large. We show that the adjacency matrix of the graph is block-triangular, and by exploiting this structure, we decompose the large planning problem into several smaller subproblems, whose memory requirement stays almost constant as the problem size grows. The approach is demonstrated on a global reachability analysis of a possible Titan mission scenario.

Dijkstra's algorithm↗
DOE OSTI2017

Extreme Two‐Phase Cooling from Laser‐Etched Diamond and Conformal, Template‐Fabricated Microporous Copper

Abstract This paper reports the first integration of laser‐etched polycrystalline diamond microchannels with template‐fabricated microporous copper for extreme convective boiling in a composite heat sink for power electronics and energy conversion. Diamond offers the highest thermal conductivity near room temperature, and enables aggressive heat spreading along triangular channel walls with 1:1 aspect ratio. Conformally coated porous copper with thickness 25 µm and 5 µm pore size optimizes fluid and heat transport for convective boiling within the diamond channels. Data reported here include 1280 W cm −2 of heat removal from 0.7 cm 2 surface area with temperature rise beyond fluid saturation less than 21 K, corresponding to 6.3 × 10 5 W m −2 K −1 . This heat sink has the potential to dissipate much larger localized heat loads with small temperature nonuniformity (5 kW cm −2 over 200 µm × 200 µm with <3 K temperature difference). A microfluidic manifold assures uniform distribution of liquid over the heat sink surface with negligible pumping power requirements (e.g., <1.4 × 10 −4 of the thermal power dissipated). This breakthrough integration of functional materials and the resulting experimental data set a very high bar for microfluidic heat removal.

Palko, James W.↗
DOE OSTI2018

Trace Analysis and Reaction Monitoring by Nanophotonic Ionization Mass Spectrometry from Elevated Bowtie and Silicon Nanopost Arrays

We present that silicon nanopost arrays (NAPA) are used in trace analysis by mass spectrometry (MS) because they enable highly efficient ion production from small molecules and thin tissue sections by UV laser desorption ionization (LDI). Such nanophotonic ionization of adsorbates relies on localized interactions between a nanostructured substrate and laser radiation. In LDI from NAPA, only the component of the oscillating electric field vector that is parallel with the posts couples the laser energy into the nanostructure. Enhancements in control over adsorbate ionization and fragmentation are expected if the surface-parallel component can also interact with the nanostructure. Here, an alternative nanophotonic ionization platform is introduced for LDI-MS, the elevated bowtie (EBT) array by adding triangular chromium features on top of silicon post pairs to form bowties. Compared to NAPA, the threshold fluence for ionization from EBT is lower, and at low laser fluences the ionization efficiency is increased by a factor of ≈17. The EBT platform with optimized apex angle exhibits a higher survival yield for molecular ions produced from biomolecules and xenobiotics and allows more control over fragmentation by adjusting the fluence. Finally, these unique nanophotonic ionization attributes are utilized for trace analysis and reaction monitoring in complex biological samples.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Controlled Nucleation and Stabilization of Ferroelectric Domain Wall Patterns in Epitaxial (110) Bismuth Ferrite Heterostructures

Ferroelectric domain walls, topological entities separating domains of uniform polarization, are promising candidates as active elements for nanoscale memories. In such applications, controlled nucleation and stabilization of domain walls are critical. In this work, using in situ transmission electron microscopy and phase-field simulations, a controlled nucleation of vertically oriented 109° domain walls in (110)-oriented BiFeO 3 (BFO) thin films is reported. In the switching experiment, reversed domains that are nucleated preferentially at the nanoscale edges of the “crest and sag” pattern-like electrode under external bias subsequently grow into a stable stripe configuration. In addition, when triangular pockets (with an in-plane polarization component) are present, these domain walls are pinned to form stable flux-closure domains. Phase field simulations show that i) field enhancement at the edges of the electrode causes site-specific domain nucleation, and ii) the local electrostatics at the domain walls drives the formation of flux closure domains, thus stabilizing the striped pattern, irrespective of the initial configuration. The results demonstrate how flux closure pinning can be exploited in conjunction with electrode patterning and substrate orientation to achieve a desired topological defect configuration. These insights constitute critical advancements in exploiting domain walls in next generation ferroelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Emergence of Local Magnetic Moment in Ternary TaWSe 2 Single Crystal via Atomic Clustering

Ternary transition metal dichalcogenides (TMDs) provide a versatile platform to explore novel electronic and magnetic ground states via compositional substitution and local structural modulations. Using a combination of scanning tunneling microscopy and spectroscopy (STM/S), magnetic property measurements, and density functional theory (DFT) calculations, the emergence of local magnetic moments driven by the clustering of Ta atoms in ternary TaWSe 2 single crystals is analyzed. STM topography reveals triangular clusters of Ta atoms embedded within W-rich regions of TaWSe 2 . These clusters exhibit a consistent shape and an orderly arrangement throughout the surfaces. DFT calculations show that these Ta clusters induce local strain, giving rise to localized magnetic moments. The magnetic behavior is further corroborated by temperature-dependent magnetization measurements, which exhibit a magnetic anomaly at ∼50 K. In conclusion, this study offers a pathway to engineer magnetism in TMD systems with potential applications in spintronic and quantum materials.

DFT↗
DOE OSTI2019

Field and Current Control of the Electrical Conductivity of an Artificial 2D Honeycomb Lattice

The conductivity of a neodymium-based arti ficial honeycomb lattice undergoes dramatic changes upon application of magnetic fi elds and currents. We attribute these changes to a redistribution of magnetic charges that are formed at the vertices of the honeycomb due to the nonvanishing net flux of magnetization from adjacent magnetic elements. We suggest that the application of a large magnetic fi eld or a current causes a transition from a disordered state, in which magnetic charges are distributed at random, to an ordered state, in which they are regularly arranged on the sites of two interpenetrating triangular Wigner crystals. The field and current tuning of electrical properties are greatly desirable functionalities for spintronics applications. As a result, a new spintronics research platform can be envisaged in arti cial magnetic honeycomb lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Atomic Drill Bit: Precision Controlled Atomic Fabrication of 2D Materials

The ability to deterministically fabricate nanoscale architectures with atomic precision is the central goal of nanotechnology, whereby highly localized changes in the atomic structure can be exploited to control device properties at their fundamental physical limit. Here, an automated, feedback-controlled atomic fabrication method is reported and the formation of 1D–2D heterostructures in MoS 2 is demonstrated through selective transformations along specific crystallographic orientations. The atomic-scale probe of an aberration-corrected scanning transmission electron microscope (STEM) is used, and the shape and symmetry of the scan pathway relative to the sample orientation are controlled. The focused and shaped electron beam is used to reliably create Mo 6 S 6 nanowire (MoS-NW) terminated metallic-semiconductor 1D–2D edge structures within a pristine MoS 2 monolayer with atomic precision. From these results, it is found that a triangular beam path aligned along the zig-zag sulfur terminated (ZZS) direction forms stable MoS-NW edge structures with the highest degree of fidelity without resulting in disordering of the surrounding MoS 2 monolayer. Density functional theory (DFT) calculations and ab initio molecular dynamic simulations (AIMD) are used to calculate the energetic barriers for the most stable atomic edge structures and atomic transformation pathways. These discoveries provide an automated method to improve understanding of atomic-scale transformations while opening a pathway toward more precise atomic-scale engineering of materials.

2D materials↗
DOE OSTI2023

Molybdenum Disulfide Nanoribbons with Enhanced Edge Nonlinear Response and Photoresponsivity

MoS 2 nanoribbons have attracted increased interest due to their properties, which can be tailored by tuning their dimensions. Herein, the growth of MoS 2 nanoribbons and triangular crystals formed by the reaction between films of MoOx (2 2 nanoribbons arising from distinct contributions from the single–layer edges and multilayer core. Nanoscale imaging reveals a blue-shifted exciton emission of the monolayer edge compared to the isolated MoS 2 monolayers due to built-in local strain and disorder. We further report on an ultrasensitive photodetector made of a single MoS 2 nanoribbon with a responsivity of 8.72 × 10 2 A W –1 at 532 nm, among the highest reported up-to-date for single-nanoribbon photodetectors. These findings can inspire the design of MoS 2 semiconductors with tunable geometries for efficient optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

ASb 3 Mn 9 O 19 (A = K or Rb): New Mn-Based 2D Magnetoplumbites with Geometric and Magnetic Frustration

Magnetoplumbites are one of the most broadly studied families of hexagonal ferrites, typically with high magnetic ordering temperatures, making them excellent candidates for permanent magnets. However, magnetic frustration is rarely observed in magnetoplumbites. Herein, the discovery, synthesis, and characterization of the first Mn-based magnetoplumbite, as well as the first magnetoplumbite involving pnictogens (Sb), ASb 3 Mn 9 O 19 (A = K or Rb) are reported. The Mn 3+ ( S = 2) cations, further confirmed by DC magnetic susceptibility and X-ray photoelectron spectroscopy, construct three geometrically frustrated sublattices, including Kagome, triangular, and puckered honeycomb lattices. Magnetic properties measurements revealed strong antiferromagnetic spin–spin coupling as well as multiple low-temperature magnetic features. Heat capacity data does not show any prominent λ-anomaly, suggesting minimal associated magnetic entropy. Moreover, neutron powder diffraction (NPD) implied the absence of long-range magnetic ordering in KSb 3 Mn 9 O 19 down to 3 K. However, several magnetic peaks are observed in RbSb 3 Mn 9 O 19 at 3 K, corresponding to an incommensurate magnetic structure. Interestingly, strong diffuse scattering is seen in the NPD patterns of both compounds at low angles and is analyzed by reverse Monte Carlo refinements, indicating short-range spin ordering related to frustrated magnetism as well as 2D magnetic correlations in ASb 3 Mn 9 O 19 (A = K or Rb).

2-D magnetic correlation↗
DOE OSTI2025

Current Advances in i‐MAX Phases and their Two Dimensional Derivative i‐MXenes: Challenges and Opportunities (Adv. Electron. Mater. 21/2025)

The discovery of quaternary (M′ 2/3 M′′ 1/3 ) 2 AX phases has introduced newly ordered i-MAX phases in the MAX phase community. These atomically layered solids display in-plane chemical ordering of M′ and M′′, featuring a frustrated triangular lattice overlaid on an M′ honeycomb arrangement and an A Kagomé lattice. This unique structure gives rise to novel electronic and magnetic properties, paving the way for diverse applications and the creation of new MXenes. Both experimental and theoretical research have confirmed that these i-MAX phases can be chemically exfoliated into single- or multilayered and vacancy-ordered 2D transition metal carbides, known as i-MXenes. These 2D i-MXenes exhibit intriguing optical, electrochemical, piezoelectric, and magnetic properties, which are decidedly reliant on the surface functional groups (-F, -OH, -O). This review encompasses all available theoretical and experimental studies on i-MAX and i-MXenes, with a focus on their fundamental properties, organized in multiple sections. Along with the experimental investigation, significant attention is also directed toward theoretical predictions of potential i-MAX phases and i-MXenes, including their structural, vibrational, electronic, optical, magnetic, mechanical, piezoelectric, and electrochemical properties. This article provides a comprehensive understanding of vital properties of these materials by providing a review of foundational literature with existing challenges, limitations, and future perspectives.

electrochemical, electronic↗
DOE OSTI2019

Cyclotris(paraquat‐ p ‐phenylenes)

Abstract Reported here is the synthesis, solid‐state characterization, and redox properties of new triangular, threefold symmetric, viologen‐containing macrocycles. Cyclotris(paraquat‐ p ‐phenylene) ( CTPQT 6+ ) and cyclotris(paraquat‐ p ‐1,4‐dimethoxyphenylene) ( MCTPQT 6+ ) were prepared and their X‐ray single‐crystal (super)structures reveal intricate three‐dimensional packing. MCTPQT 6+ results in nanometer‐sized channels, in contrast with its parent counterpart CTPQT 6+ which crystallizes as a couple of polymorphs in the form of intercalated assemblies. In the solid state, MCTPQT 3(.+) exhibits stacks between the 1,4‐dimethoxyphenylene and bipyridinium radical cations, providing new opportunities for the manipulation and control of the recognition motif associated with viologen radical cations. These redox‐active cyclophanes demonstrate that geometry‐matching and weak intermolecular interactions are of paramount importance in dictating the formation of their intricate solid‐state superstructures.

Anamimoghadam, Ommid↗
DOE OSTI2023

Spiroligomer‐Based Macrocycles for Atomically Precise Membranes

Abstract Here, we report a new class of peptidomimetic macrocycles with well‐defined three‐dimensional structures and low conformational flexibility. They are assembled from fused‐ring spiro‐ladder oligomers (spiroligomers) by modular solid‐phase synthesis. Two‐dimensional nuclear magnetic resonance confirms their shape persistency. Triangular macrocycles of tunable sizes assemble into membranes with atomically precise pores, which exhibit size and shape‐dependent molecular sieving towards a series of structurally similar compounds. The exceptional structural diversity and stability of spiroligomer‐based macrocycles will be explored for more applications.

Xie, Yihui↗
DOE OSTI2023

Spiroligomer‐Based Macrocycles for Atomically Precise Membranes

Abstract Here, we report a new class of peptidomimetic macrocycles with well‐defined three‐dimensional structures and low conformational flexibility. They are assembled from fused‐ring spiro‐ladder oligomers (spiroligomers) by modular solid‐phase synthesis. Two‐dimensional nuclear magnetic resonance confirms their shape persistency. Triangular macrocycles of tunable sizes assemble into membranes with atomically precise pores, which exhibit size and shape‐dependent molecular sieving towards a series of structurally similar compounds. The exceptional structural diversity and stability of spiroligomer‐based macrocycles will be explored for more applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗