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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

First-principles investigation of elastic, vibrational, and thermodynamic properties of kagome metals CsM 3 Te 5 (M = Ti, Zr, Hf)

Kagome metals are a unique class of quantum materials characterized by their distinct atomic lattice arrangement, featuring interlocking triangles and expansive hexagonal voids. These lattice structures impart exotic properties, including superconductivity, interaction-driven topological many-body phenomena, and magnetism, among others. The kagome metal CsM 3 ⁢Te 5 (where M = Ti, Zr, or Hf) exhibits both superconductivity and nontrivial topological electronic properties, offering a promising platform for exploring topological superconductivity. This study employs first-principles density functional theory calculations to systematically analyze the elastic, mechanical, vibrational, thermodynamic, and electronic properties of CsM 3 ⁢Te 5 (M = Ti, Zr, Hf). Our calculations reveal that the studied compounds—CsTi 3 ⁢Te 5 , CsZr 3 ⁢Te 5 , and CsHf 3 ⁢Te 5 —are ductile metals with elastic properties akin to the hexagonal Bi and Sb, with average elastic constants, including a bulk modulus of 27 GPa, a shear modulus of 11 GPa, and Young's modulus of 29 GPa. We observe peculiar dispersionless, flat, phonon branches in the vibrational spectra of these metals. Additionally, we thoroughly analyze the symmetries of the zone-center phonon eigenvectors and predict vibrational fingerprints of the Raman- and infrared-active phonon modes. The analysis of thermodynamic properties reveals the Einstein temperature for CsTi 3 ⁢Te 5 , CsZr 3 ⁢Te 5 , and CsHf 3 ⁢Te 5 to be 66, 54, and 53 K, respectively. Our orbital-decomposed electronic structure calculations reveal significant in-plane steric interactions and multiple Dirac band crossings near the Fermi level. We further investigate the role of spin-orbit coupling effect on the studied properties. Furthermore, this theoretical investigation sheds light on the intriguing quantum behavior of kagome metals.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Defect Complexes in CrSBr Revealed Through Electron Microscopy and Deep Learning

Atomic defects underpin the properties of van der Waals materials, and their understanding is essential for advancing quantum and energy technologies. Scanning transmission electron microscopy is a powerful tool for defect identification in atomically thin materials, and extending it to multilayer and beam-sensitive materials would accelerate their exploration. Here, we establish a comprehensive defect library in a bilayer of the magnetic quasi-1D semiconductor CrSBr by combining atomic-resolution imaging, deep learning, and calculations. We apply a custom-developed machine learning work flow to detect, classify, and average point vacancy defects. This classification enables us to uncover several distinct Cr interstitial defect complexes, combined Cr and Br vacancy defect complexes, and lines of vacancy defects that extend over many unit cells. We show that their occurrence is in agreement with our computed structures and binding energy densities, reflecting the intriguing layer interlocked crystal structure of CrSBr. Our ab initio calculations show that the interstitial defect complexes give rise to highly localized electronic states. These states are of particular interest due to the reduced electronic dimensionality and magnetic properties of CrSBr and are, furthermore, predicted to be optically active. Our results broaden the scope of defect studies in challenging materials and reveal new defect types in bilayer CrSBr that can be extrapolated to the bulk and to over 20 materials belonging to the same FeOCl structural family.

deep learning↗
DOE OSTI2026

Intertwined Polar, Chiral, and Ferro-Rotational Orders in a Homo-Ferro-Rotational Insulator

Intertwined orders refer to strongly coupled and mutually dependent orders that coexist in correlated electron systems, often underpinning key physical properties of the host materials. Among them, polar, chiral, and ferro-rotational orders have been theoretically known to form a closed set of intertwined orders. However, experimental investigation into their mutual coupling and physical consequences has remained elusive. In this work, we employ the polar-chiral insulator Ni 3 ⁢TeO 6 as a platform and utilize a multimodal optical approach to directly probe and reveal the intertwining among polarity, chirality, and ferro-rotational order. We demonstrate how their coupling governs the formation of domains and dictates the nature of domain walls. Within the domains, we identify spatial inversion symmetry as the operation connecting two domain states of opposite polarity and chirality, with a homo-ferro-rotational state serving as the prerequisite for these interlocked configurations. At the domain walls, we observe a pronounced enhancement of in-plane polarization accompanied by a suppression of chirality. By combining with Ginzburg-Landau theory within the framework of a preexisting homo-ferro-rotational background, we uncover the emergence of mixed Néel- and Bloch-type domain walls. Our findings highlight the critical role of intertwined orders in defining domain and domain-wall characteristics and open pathways for domain switching and domain-wall control via intertwined order parameters.

Zhang, Weizhe [University of Michigan, Ann Arbor, ↗
DOE OSTI2025

3D polycatenated architected materials

Architected materials derive their properties from the geometric arrangement of their internal structural elements. Their designs rely on continuous networks of members to control the global mechanical behavior of the bulk. Here, in this study, we introduce a class of materials that consist of discrete concatenated rings or cage particles interlocked in three-dimensional networks, forming polycatenated architected materials (PAMs). We propose a general design framework that translates arbitrary crystalline networks into particle concatenations and geometries. In response to small external loads, PAMs behave like non-Newtonian fluids, showing both shear-thinning and shear-thickening responses, which can be controlled by their catenation topologies. At larger strains, PAMs behave like lattices and foams, with a nonlinear stress-strain relation. At microscale, we demonstrate that PAMs can change their shapes in response to applied electrostatic charges. The distinctive properties of PAMs pave the path for developing stimuli-responsive materials, energy-absorbing systems, and morphing architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The PIP-II dedicated RFPI system final design

The Radio Frequency Protection Interlock (RFPI) system main responsibility is to collect predefined set of signals and to protect each RF station. In case of safety limits violations from any of this input signals the RFPI has to instantenously drop permits for the LLRF or RF amplifier (eq. Solid State Amplifier - SSA or klystron) operation.This paper presents an overview of the final design of the RFPI system dedicated for Proton Improvement Plan II (PIP-II) at Fermilab.

Cichalewski, Wojciech [Lodz, Tech. U.; Lodz U.]↗
DOE OSTI2026

Python-EPICS RF Conditioning Automatic Control System at the Spallation Neutron Source

The RF Test Facility (RFTF) at the Spallation Neutron Source (SNS) is used for the conditioning of RF compo-nents such as ceramic vacuum windows and power cou-plers prior to their installation in the H- ion linear accel-erator. This process exposes components to high-power RF fields and thermal cycling to improve performance and remove surface impurities. To automate and optimize this process, a Python-based EPICS control system was developed alongside targeted hardware upgrades. The system enables real-time monitoring and control of RF power levels, temperature, and vacuum pressure. A user-friendly graphical interface was implemented using CS-Studio (Phoebus), allowing operators to adjust parameters and collect data efficiently. The system integrates a High-Power Protection Module (HPM) for interlocks based on vacuum and arc detection, ensuring safe operation. These upgrades have significantly improved the efficiency, accuracy, and safety of RF conditioning at the SNS RFTF. This paper describes the updated RF conditioning sys-tem, highlighting the software and hardware develop-ments and their application in support of the Proton Pow-er Upgrade (PPU) project.

Lee, Sung-Woo [ORNL] (ORCID:000000030915835X)↗
DOE OSTI2026

LLRF commissioning of the CEBAF C75 upgrades SAM 2024/25

An often-overlooked aspect of Low Level Radio Frequency (LLRF) design is commissioning of a new system. During Jlab’s Scheduled Accelerator Maintenance (SAM) in 2024, two C75 Cryomodule were installed in CEBAF with Jlab’s LLRF 3.0 system. Jlab’s team has invested effort in automating and standardizing their commissioning process. Several key components are klystron characterization, cavity characterization, and interlock verification. This poster will present the summary of LLRF preparation and commissioning efforts at Jlab.

Accelerator Physics↗
DOE OSTI2025

Let’s Stick Together: Interplay of Moisture, Particle Size, and Anatomical Fraction in the Flowability of Corn Stover Crumbles

Handling of agricultural waste biomass feedstocks (such as corn stover) is a persistent challenge in the production of biofuels and chemicals at integrated biorefineries. Inconsistent flowability and high feedstock variability creates equipment downtime and processing challenges. This work investigates the influence of anatomical fractionation and moisture content on the bulk solids handling behavior of corn stover crumbles. A combination of rotational shear testing, tribological measurements, and surface and sorption characterization techniques (inverse gas chromatography (IGC), dynamic vapor sorption (DVS), and electron microscopy) were used to evaluate the contributions of particle composition, size, and surface properties to flow behavior. Shear and frictional testing revealed that moisture content has the greatest effect on flowability, significantly increasing unconfined yield strength (ƒ c ) and reducing the flow function coefficient (F F C), regardless of anatomical fraction. While differences in surface energy were observed between fractions, particularly in polar contributions (γ AB ), these did not correspond to meaningful differences in flow behavior. Coarser 6 mm particles exhibited poorer flow performance than 4 mm crumbles, likely due to broader particle size distributions and increased particle interlocking. Taken together, these results suggest that anatomical fractionation provides minimal benefit from a bulk handling perspective. Moisture content and particle size heterogeneity dominate handling behavior, reinforcing the utility of unfractionated corn stover in processing environments. These insights can inform the design of more efficient and reliable feedstock processing systems for agricultural biomass in integrated biorefineries.

09 BIOMASS FUELS↗
DOE OSTI2026

Influence of Surface Treatment on the Interfacial and Mechanical Performance of Metal-Insert Overmolded Composites

Structural composites with metal inserts are gaining increasing interest enabling light weight design for energy efficiency, provide insulation, corrosion protection without compromising mechanical integrity. Such over molded metal-polymer composites show strong potential in many automotive and aerospace component parts, e.g. car bumper, chassis, door, brackets, fasteners, etc. Despite several advantages, metal-polymer dissimilar interface remains a weak spot in structural design, requiring further investigation to improve interfacial interlocking. The current work focuses on enhancing the metal-polymer adhesion between stainless steel inserts and polymer matrices (e.g. acrylonitrile butadiene styrene resin (ABS), and polyamide 66 (PA66) through surface treatment via chemical etching and mechanical roughening. In the chemical etching process, metal substrates were treated with aqua regia solution for different time intervals to evaluate surface roughness measured by water contact angle and morphology analysis. For mechanical roughening approach, metal inserts were subjected to blasting for surface abrasion. Treated samples were also functionalized with aminosilane coupling agent which showed successful grafting on the surface measured by water contact angle. Metal inserts with micro level surface roughness through etching exhibited significant 21% improvement in adhesion strength compared to untreated inserts; however, the effect of silane treatment on the interfacial strength was found to be highly matrix dependent.

Saha, Subhabrata [ORNL] (ORCID:000000033966064X)↗
DOE OSTI2024

Double-Helical Tiled Chain Structure of the Twist-Bend Liquid Crystal Phase in CB7CB

The twist-bend nematic liquid crystal phase is a three-dimensional fluid in which achiral bent molecules spontaneously form an orientationally ordered, macroscopically chiral, heliconical winding of a ten nanometer-scale pitch in the absence of positional ordering. Here, the structure of the twist-bend phase of the bent dimer CB7CB and its mixtures with 5CB is characterized, revealing a hidden invariance of the self-assembly of the twist-bend structure of CB7CB, such that over a wide range of concentrations and temperatures, the helix pitch and cone angle change as if the ground state for a pitch of the TB helix is an inextensible heliconical ribbon along the contour formed by following the local molecular long axis (the director). Remarkably, the distance along the length for a single turn of this helix is given by 2πR mol , where R mol is the radius of bend curvature of a single all-trans CB7CB molecule. This relationship emerges from frustrated steric packing due to the bent molecular shape: space in the fluid that is hard to fill attracts the most flexible molecular subcomponents, a theme of nanosegregation that generates self-assembled, oligomer-like correlations of interlocking bent molecules in the form of a brickwork-like tiling of pairs of molecular strands into duplex double-helical chains. At higher temperatures in the twist-bend phase, the cone angle is small, the director contour is nearly along the helix axis z, and the duplex chains are sequences of biaxial elements formed by overlapping half-molecule pairs, with an approximately 45° rotation of the biaxis between each such element along the chain.

36 MATERIALS SCIENCE↗
NASA NTRS1961

HOT SPIN-AND-BURST TEST METHODS FOR AIRCRAFT TURBINE WHEELS

Methods are described for suspension-system vibration damping, automatically controlled induction heating through radiation pyrometers, rotating-disk temperature measurement, and unattended operation with a safety-interlock system.

BURST↗
NASA NTRS1964

Apparatus of small size can be extended into long, rigid boom

Three metal sheets, having prenotched edges, are interlocked as they are unrolled from three feed rollers which form a triangle. The apparatus is relatively small, and the sheets can be erected into a rigid triangular boom of considerable length.

Miller, J. V.↗
NASA NTRS1966

Sheet metal strip unrolls to form circular boom

Preformed metal strip, coiled flat on a storage drum, unrolls to form a cylindrical boom. Tabs and slots on opposite sides of the strip interlock to form a continuous circular cross section. This retractable boom can be used as a spacecraft antenna, gravity gradient, or positioning device.

Source record↗
NASA NTRS1966

Solar cell submodule design facilitates assembly of lightweight arrays

Solar cell submodules with bus bars that leave tabs along one end of the submodule and wires with raised portions along the other end are assembled by interlocking the tabs and wires of adjacent submodules. This structural design is lightweight and reliable and requires no metallic substructure.

Yasui, R. K.↗
NASA NTRS1967

Neutron detector simultaneously measures fluence and dose equivalent

Neutron detector acts as both an area monitoring instrument and a criticality dosimeter by simultaneously measuring dose equivalent and fluence. The fluence is determined by activation of six foils one inch below the surface of the moderator. Dose equivalent is determined from activation of three interlocked foils at the center of the moderator.

Dvorak, R. F.↗