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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 OSTI2021

University of Missouri Research Reactor LEU Fuel Element Flow Test Conceptual Design—Hydraulic Reactor Design Parameters

The University of Missouri-Columbia Research Reactor (MURR®) is one of five U.S. high performance research reactors (USHPRR), plus one critical facility, that actively collaborates with the National Nuclear Security Administration (NNSA) Material Management and Minimization(M 3 ) Reactor Conversion Program to convert to the use of low-enriched uranium (LEU, < 20 wt.% U-235) fuel. A new type of LEU fuel with very high density, based on an alloy of uranium and 10 weight percent molybdenum (U-10Mo), is expected to allow the conversion to LEU of USHPRR that have been found unable to be converted with previously qualified uranium silicide-aluminum (U 3 Si 2 -Al) dispersion fuel. MURR has been working with the USHPRR Reactor Conversion (RC) Pillar at Argonne National Laboratory to perform fuel element design and fuel cycle performance analyses, steady-state thermal hydraulics safety analyses, and accident safety analyses in preparation for the conversion of MURR and to support a preliminary Safety Analysis Report (SAR) for conversion to LEU fuel. This work is performed in preparation for the flow test campaign that will be conducted by the USHPRR RC Pillar. The purpose of the hydraulic performance evaluation of the MURR LEU fuel element designed by the RC Pillar is to test a prototypic commercially fabricated LEU fuel element to determine whether any failure modes are observed or predicted in the fuel element, including significant deformations such as plate bending, twisting, or plate detachment from the side plate under selected safety-basis limits for reactor hydraulic conditions. To support the design of the flow test for MURR LEU fuel element hydraulic performance evaluation, design parameters for hydraulic testing of the LEU fuel element are laid out in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Voltage‐Modulated Untwist Deformations and Multispectral Optical Effects from Ion Intercalation into Chiral Ceramic Nanoparticles

Abstract Reconfiguration of chiral ceramic nanostructures after ion intercalation should favor specific nanoscale twists leading to strong chiroptical effects. In this work, V 2 O 3 nanoparticles are shown to have “built‐in” chiral distortions caused by binding of tartaric acid enantiomers to the nanoparticle surface. As evidenced by spectroscopy/microscopy techniques and calculations of nanoscale chirality measures, the intercalation of Zn 2+ ions into the V 2 O 3 lattice results in particle expansion, untwist deformations, and chirality reduction. Coherent deformations in the particle ensemble manifest as changes in sign and positions of circular polarization bands at ultraviolet, visible, mid‐infrared (IR), near‐IR (NIR), and IR wavelengths. The g‐ factors observed for IR and NIR spectral diapasons are ≈100–400 times higher than those for previously reported dielectric, semiconductor, and plasmonic nanoparticles. Nanocomposite films layer‐by‐layer assembled (LBL) from V 2 O 3 nanoparticles reveal cyclic‐voltage‐driven modulation of optical activity. Device prototypes for IR and NIR range problematic for liquid crystals and other organic materials are demonstrated. High optical activity, synthetic simplicity, sustainable processability, and environmental robustness of the chiral LBL nanocomposites provide a versatile platform for photonic devices. Similar reconfigurations of particle shapes are expected for multiple chiral ceramic nanostructures, leading to unique optical, electrical, and magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Performance data for an axial-flow turbine with passive adaptive blades

To support the development of simulation tools for passive adaptive turbine rotors, an experimental data set from a laboratory-scale axial-flow turbine with passive adaptive blades is provided. The 0.45-meter diameter turbine was tested in the Alice C. Tyler Flume at the University of Washington. Blade and rotor loads were measured at 1 kHz using six-axis force/torque sensors while deflection and twist at the blade tip were tracked using a high-speed camera. This data submission includes a technical report, the raw and processed experimental data, and a README file explaining the file/folder structure and where to find the processing/plotting scripts used to produce the figures in the technical report.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

The stranger things of symmetric product orbifold CFTs

Symmetric product orbifold theories are valuable due to their universal features at large N. Here we will demonstrate that they have features that are not as pervasive: we provide evidence of strange behaviour under deformations within their moduli space. To this end, we consider the symmetric product orbifold of tensor products of N = 2 super-Virasoro minimal models, and classify them according to two criteria. The first criterion is the existence of a single-trace twisted exactly marginal operator that triggers the deformation. The second criterion is a sparseness condition on the growth of light states in the elliptic genera. In this context we encounter a strange variety: theories that obey the first criterion but the second criterion falls into a Hagedorn-like growth. We explain why this may be counter-intuitive and discuss how it might be accounted for in conformal perturbation theory. We also find a new infinite class of theories that obey both criteria, which are necessary conditions for each moduli space to contain a supergravity point.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A perturbative CFT dual for pure NS–NS AdS 3 strings

We construct a conformal field theory dual to string theory on AdS 3 with pure NS–NS flux. It is given by a symmetric orbifold of a linear dilaton theory deformed by a marginal operator from the twist-2 sector. We compute two- and three-point functions on the CFT side to 4th order in conformal perturbation theory at large N. They agree with the string computation at genus 0, thus providing ample evidence for a duality. We also show that the full spectra of both short and long strings on the CFT and the string side match. Furthermore, the duality should be understood as perturbative in N –1 .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Corrugation-driven symmetry breaking in magic-angle twisted bilayer graphene

Abstract The discovery of unconventional superconductivity in magic-angle twisted bilayer graphene (tBLG) supported the twist-angle-induced flat band structure predictions made a decade earlier. Numerous physical properties have since been linked to the interlayer twist angle using the flat band prediction as a guideline. However, some key observations like the nematic phase and striped charge order behind the superconductivity are missing in this initial model. Here we show that a thermodynamically stable large out-of-plane displacement, or corrugation of the bilayer, induced by the interlayer twist, demonstrates partially filled states of the flat band structure, accompanied by a broken symmetry, in the magic-angle regime and the presence of symmetry breaking associated with the superconductivity in tBLG. The distinction between low and high corrugation can also explain the observed evolution of the vibrational spectra of tBLG as a function of twist angle. Our observation that large out-of-plane deformation modes enable partial filling of states near the Fermi energy may lead to a strategy for offsetting the effects of disorder in the local twist angle, which suppresses unconventional superconductivity and correlated insulator behavior in magic-angle tBLG.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Asymptotically Free AdS 3 /CFT 2

We propose a new AdS 3 /CFT 2 duality, in which the bulk string theory has a target spacetime AdS 3 times a squashed three-sphere $S$$^{3}_{b}$, and the dual CFT 2 is a symmetric product of sigma models on R Φ × $S$$^{3}_{b}$, deformed by a Φ-dependent Z 2 twist operator. The duality maps the asymptotic region of AdS 3 to the region Φ → ∞, where the twist interaction in the CFT 2 turns off. The AdS 3 backgrounds in question have R AdS < ℓ s , and so lie on the string side of the string/black hole correspondence transition. As a consequence, the high energy density of states consists of a string gas in AdS 3 rather than an ensemble of BTZ black holes. Furthermore, this property allows us to derive the dual CFT 2 by a systematic analysis of the worldsheet string theory on AdS 3 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Twisted Supergravity and Koszul Duality: A Case Study in AdS 3

In this note, we study a simplified variant of the familiar holographic duality between supergravity on AdS 3 × S 3 × T 4 and the SCFT (on the moduli space of) the symmetric orbifold theory Sym N (T 4 ) as N → ∞. This variant arises conjecturally from a twist proposed by the first author and Si Li. We recover a number of results concerning protected subsectors of the original duality working directly in the twisted bulk theory. Moreover, we identify the symmetry algebra arising in the N → ∞ limit of the twisted gravitational theory. Further, we emphasize the role of Koszul duality—a ubiquitous mathematical notion to which we provide a friendly introduction—in field theory and string theory. After illustrating the appearance of Koszul duality in the “toy” example of holomorphic Chern-Simons theory, we describe how (a deformation of) Koszul duality relates bulk and boundary operators in our twisted setup, and explain how one can compute algebra OPEs diagrammatically using this notion. Further details, results, and computations will appear in a companion paper.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A nonlinear elasto-plastic bond model for the discrete element modeling of woody biomass particles

This work presents an experiment-informed, semi-empirical, elasto-plastic bond model for the discrete element modeling of woody biomass particles. The model renders nonlinear plastic deformation of materials when subjected to compression/tension, bending, and twisting, essential for accurately simulating the behavior of biomass in comminution. The model is implemented in an open-source DEM package LIGGGHTS and is assessed in a number of verification tests. The model is applied to simulate the fracturing test of notched loblolly pine blocks. Reduced bond strength is prescribed to the weak planes along the growth rings. It is found that the square-root formulation for describing the elasto-plastic normal bond contact delivers the best agreement with the experimental data over its linear and quadratic counterparts. Furthermore, the model predicts a strong anisotropic behavior of wood blocks with regard to the grain orientations, indicating that the cutting angle should be an important attribute for the optimization of biomass comminution.

42 ENGINEERING↗
DOE OSTI2023

Rotational and dilational reconstruction in transition metal dichalcogenide moiré bilayers

Abstract Lattice reconstruction and corresponding strain accumulation plays a key role in defining the electronic structure of two-dimensional moiré superlattices, including those of transition metal dichalcogenides (TMDs). Imaging of TMD moirés has so far provided a qualitative understanding of this relaxation process in terms of interlayer stacking energy, while models of the underlying deformation mechanisms have relied on simulations. Here, we use interferometric four-dimensional scanning transmission electron microscopy to quantitatively map the mechanical deformations through which reconstruction occurs in small-angle twisted bilayer MoS 2 and WSe 2 /MoS 2 heterobilayers. We provide direct evidence that local rotations govern relaxation for twisted homobilayers, while local dilations are prominent in heterobilayers possessing a sufficiently large lattice mismatch. Encapsulation of the moiré layers in hBN further localizes and enhances these in-plane reconstruction pathways by suppressing out-of-plane corrugation. We also find that extrinsic uniaxial heterostrain, which introduces a lattice constant difference in twisted homobilayers, leads to accumulation and redistribution of reconstruction strain, demonstrating another route to modify the moiré potential.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Multiscale Mechanisms of Twisted Carbon Nanotube Yarns Probed In Situ by Soft X-rays during Tensile Loading

Piecing together carbon nanotubes (CNTs) into assemblies has so far failed to achieve the same elite strength performance metrics as individual CNTs, highlighting a critical deficiency in understanding the effects that the processing of individual nanostructures have on the performance of their derived macroscale assemblies, thereby hindering the development of a process-structure-performance map for these materials. Here, in this work, we propose a method to decouple the distribution orientation of nanoscale tortuosity and the microscale twist of CNT dry-spun yarns under applied loads via in situ soft X-ray probing at high energy (1200 eV) and low energy (280 eV), respectively. With this decoupling enabled by in situ soft X-ray scattering, we acquired a deeper understanding of the deformation mechanisms of these yarns. We found that for untreated yarns, the twist angle of collective CNT bundles at the macroscale is more sensitive to applied stress than the nanoscale alignment distribution. We also found that increasing nominal twist densities of yarns as well as increased strengthening via plasma treatments and polymer infiltration act to decrease the yarns’ sensitivity to realignment at the nanoscale and prevent failure by the slip mechanism.

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

Systematic uncertainty of off-shell corrections and higher-twist contribution in DIS at large x

We study the systematic uncertainty and biases introduced by theoretical assumptions needed to include large-x DIS data in a global QCD analysis. Working in the CTEQ-JLab framework, we focus on different implementations of higher-twist corrections to the nucleon structure functions and of offshell PDF deformations in deuteron targets and discuss how their interplay impacts the extraction of the d -quark PDF and the calculation of the neutron structure function at large x.

Cerutti, Matteo↗
DOE OSTI2021

Strain fields in twisted bilayer graphene

Van der Waals heteroepitaxy allows deterministic control over lattice mismatch or azimuthal orientation between atomic layers to produce long-wavelength superlattices. The resulting electronic phases depend critically on the superlattice periodicity and localized structural deformations that introduce disorder and strain. In this study we used Bragg interferometry to capture atomic displacement fields in twisted bilayer graphene with twist angles < 2°. Nanoscale spatial fluctuations in twist angle and uniaxial heterostrain were statistically evaluated, revealing the prevalence of short-range disorder in moiré heterostructures. By quantitatively mapping strain tensor fields, we uncovered two regimes of structural relaxation and disentangled the electronic contributions of constituent rotation modes. Further, we found that applied heterostrain accumulates anisotropically in saddle-point regions, generating distinctive striped strain phases. Our results establish the reconstruction mechanics underpinning the twist-angle-dependent electronic behaviour of twisted bilayer graphene and provide a framework for directly visualizing structural relaxation, disorder and strain in moiré materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multiscale analysis of large twist ferroelectricity and swirling dislocations in bilayer hexagonal boron nitride

With its atomically thin structure and intrinsic ferroelectric properties, heterodeformed bilayer hexagonal boron nitride (hBN) has gained prominence in next-generation non-volatile memory applications. However, studies to date have focused almost exclusively on small-twist bilayer hBN, leaving the question of whether ferroelectricity can persist under small heterostrain and large heterodeformation entirely unexplored. In this work, we establish the crystallographic origin of ferroelectricity in bilayer hBN configurations heterodeformed relative to high-symmetry configurations such as AA-stacking and 21.786789° twisted configurations (Σ7), using Smith normal form bicrystallography. We then demonstrate out-of-plane ferroelectricity in bilayer hBN across configurations vicinal to both the AA and Σ7 stackings. Atomistic simulations reveal that AA-vicinal systems support ferroelectricity under both small twist and small strain, with polarization switching in the latter governed by the deformation of swirling dislocations rather than the straight interface dislocations seen in the former. For Σ7-vicinal systems, where existing interatomic potentials underperform particularly under extreme out-of-plane compression, we develop a density-functional-theory-informed continuum framework—the bicrystallography-informed frame-invariant multiscale (BFIM) model, which captures out-of-plane ferroelectricity in heterodeformed configurations vicinal to Σ7 stacking. Interface dislocations in these large heterodeformed bilayer configurations exhibit markedly smaller Burgers vectors compared to interface dislocations in small-twist and small-strain bilayer hBN. The BFIM model reproduces experimental results and provides a powerful, computationally efficient framework for predicting ferroelectricity in large-unit-cell heterostructures where atomistic simulations are prohibitively expensive.

Ahmed, Md Tusher [Univ. of Illinois at Urbana-Cham↗
DOE OSTI2021

Dynamic Tuning of Moiré Excitons in a WSe 2 /WS 2 Heterostructure via Mechanical Deformation

Moiré superlattices in van der Waals (vdW) heterostructures form by stacking atomically thin layers on top of one another with a twist angle or lattice mismatch. The resulting moiré potential leads to a strong modification of the band structure, which can give rise to exotic quantum phenomena ranging from correlated insulators and superconductors to moiré excitons and Wigner crystals. Here, in this study, we demonstrate the dynamic tuning of moiré potential in a WSe 2 /WS 2 heterostructure at cryogenic temperature. We utilize the optical fiber tip of a cryogenic scanning near-field optical microscope (SNOM) to locally deform the heterostructure and measure its near-field optical response simultaneously. The deformation of the heterostructure increases the moiré potential, which leads to a red shift of the moiré exciton resonances. We observe the interlayer exciton resonance shifts up to 20 meV, while the intralayer exciton resonances shift up to 17 meV.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Correlated X‐Ray and Electron Microscopies of a Single Biphasic GaAs Nanowire

Engineering the properties of semiconductors by changing their crystalline phase is a technologically and economically relevant alternative to doping using foreign elements, with strong potential for photonic and electronic applications. Although major advances have been reported recently for crystal‐phase engineering of III‐V and group IV semiconductor nanowires, interfacing two mismatched crystalline phases in a nanostructure induces several deformation mechanisms, which remain largely unexplored. Here, using state‐of‐the‐art synchrotron X‐ray nanobeam diffraction and transmission electron microscopy, subtle twisting and bending is unveiled within an individual GaAs nanowire containing cubic and hexagonal segments. Their role is discussed in accommodating the inter‐reticular spacing fluctuations, and their variations are correlated to the nanoscale phase distribution and to the effect of the NW support. This study brings direct evidence of a complex combination of deformation mechanisms in biphasic nanowires, which opens a new path to tune the nanowire properties with appealing perspectives for device engineering in nanophotonics and nanomechanics.

III-V semiconductors↗
DOE OSTI2023

Planar, curved and twisted molecular nanographenes: Reduction-induced alkali metal coordination

Planar and curved polycyclic aromatic hydrocarbons (PAHs) attract significant attention as molecular models of fullerenes, carbon nanotubes, and graphene, thus stimulating broad investigation of chemical reactivity and materials applications of designed nanocarbon π-systems. Non-planar molecular nanographenes (NGs) recently emerge as advanced anode materials in energy storage, showing high reduction limits and enhanced alkali metal intercalation levels. However, the lack of direct structure–property correlations in such complex hybrid systems impedes their further development and utilization. With a focus on alkali-metal-induced reduction of selected PAHs, we herein review original metal binding and intercalation trends, site specific coordination, and distinct carbon framework responses to stepwise electron uptake. Small planar graphene fragments, like triphenylene and coronene, are compared to π-expanded hexabenzocoronenes, followed by the discussion of bowl-shaped corannulene, sumanene and other carbon bowls, as well as bent, warped, and twisted molecular nanographenes. The effect of size, symmetry, and framework topology along with the structural deformation of carbon backbones upon reduction are analyzed, using recent crystallographic examples of alkali-metal intercalated products. In conclusion, the revealed insights into the structures, binding, and metal intercalation in molecular nanographenes should stimulate their future applications as new functional materials.

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

Programming liquid crystal elastomers for multistep ambidirectional deformability

Ambidirectionality, which is the ability of structural elements to move beyond a reference state in two opposite directions, is common in nature. However, conventional soft materials are typically limited to a single, unidirectional deformation unless complex hybrid constructs are used. We exploited the combination of mesogen self-assembly, polymer chain elasticity, and polymerization-induced stress to design liquid crystalline elastomers that exhibit two mesophases: chevron smectic C (cSmC) and smectic A (SmA). Inducing the cSmC-SmA–isotropic phase transition led to an unusual inversion of the strain field in the microstructure, resulting in opposite deformation modes (e.g., consecutive shrinkage or expansion and right-handed or left-handed twisting and tilting in opposite directions) and high-frequency nonmonotonic oscillations. Further, this ambidirectional movement is scalable and can be used to generate Gaussian transformations at the macroscale.

36 MATERIALS SCIENCE↗