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DOE OSTI2024

Pretest Modeling A Spent Nuclear Fuel Seismic Shake Test

The U.S. Department of Energy Spent Fuel and Waste Science and Technology (SFWST) program is planning to conduct a series of full-scale shake table tests to simulate hypothetical earthquake conditions and record the response of surrogate spent nuclear fuel (SNF) assemblies in a dry canister storage system mockup. The shake table motions will represent a range of hypothetical earthquake conditions at hypothetical locations in the continental U.S. to generally define the range of mechanical loads that SNF can be expected to experience during extended dry storage periods. This paper describes the pretest predictions made with LS-DYNA models of the mockup storage systems. The test will use two dry storage system configurations, a mockup vertical concrete cask (VCC) and a mockup horizontal storage module (HSM). The test will use a production-quality canister and basket. Within the canister will be four instrumented fuel assemblies with fuel rods containing surrogate mass and 28 instrumented dummy assemblies that are intended to match the mass and outer dimension of a fuel assembly. The finite element models include models of the VCC and HSM on the shake table to calculate the system level dynamic responses and separate single fuel assembly models to calculate stress and strain in fuel assembly components. Both types of models include nonlinear behavior like rod-to-rod contact and the ability for VCC’s to rock and slide. This paper presents the expected response of the VCC, HSM, and fuel assemblies to the shake table testing that is planned to start in April of 2024. The earthquake conditions represent seismic hazards in the 2,000-to-20,000-year return period range. The test data is expected to confirm the expectation that fuel rod cladding will remain intact, fuel assembly structural components like guide tubes will remain intact, and no significant VCC sliding or tipping will occur in the range of conditions to be tested with the shake table.

Klymyshyn, Nicholas A.↗

DOE OSTI2020

Field emission microscopy of carbon nanotube fibers: Evaluating and interpreting spatial emission

In this work, the authors quantify field emission properties of cathodes made from carbon nanotube (CNT) fibers. The cathodes were arranged in different configurations to determine the effect of cathode geometry on the emission properties. Various geometries were investigated including (1) flat cut fiber tip, (2) folded fiber, (3) looped fiber, and (4) fibers wound around a cylinder. The authors employ a custom field emission microscope to quantify I-V characteristics in combination with laterally resolved field-dependent electron emission area. Additionally, they look at the very early emission stages, first when a CNT fiber is turned on for the first time, which is then followed by multiple ramp-up/down runs. Upon the first turn on, all fibers demonstrated limited and discrete emission area. During ramping runs, all CNT fibers underwent multiple (minor and/or major) breakdowns, which improved emission properties in that turn-on field decreased and field enhancement factor and emission area both increased. It is proposed that breakdowns are responsible for removing initially undesirable emission sites caused by stray fibers higher than average. This initial breakdown process gives way to a larger emission area that is created when the CNT fiber subcomponents unfold and align with the electric field. Overall, the authors' results form the basis for careful evaluation of CNT fiber cathodes for dc or low frequency pulsed power systems in which large uniform area emission is required or for narrow beam high frequency applications in which high brightness is a must.

Image processing↗

DOE OSTI2021

High temperature isotropic and anisotropic etching of silicon carbide using forming gas

Plasma-etched micropillars in 4H-SiC were etched in forming gas (4% H2, 96% N2) at 1500, 1550, and 1600 °C at 2.4 and 9.4 standard liters per min (slm). At 2.4 slm, oxygen from the aluminum oxide components of the tube furnace oxidized the SiC surface, and the pillars etched isotropically. Additionally, at 9.4 slm, the pillars etched crystallographically at 1500 and 1550 °C, and sharp 4H-SiC needless with tips as narrow as 15 nm were produced. The lateral etch rates of both 4H- and 6H-SiC were measured with the a-plane etching faster than the m-plane at 1500 and 1550 °C. At 1600 °C, the m-plane and a-plane etch at comparable rates. Due to the difference in etch rates between the m-plane and a-plane, convex surfaces tend to produce facets parallel to the a-plane, while concave surfaces produce facets parallel to the m-plane.

42 ENGINEERING↗

DOE OSTI2021

Ultrafast method for scanning tunneling spectroscopy

A scanning tunneling microscope (STM) combines unique capabilities in imaging and spectroscopy with atomic precision, and it can obtain energy-resolved spectroscopic data with atomic resolution. In this paper, we utilize a recently proposed modification to the STM feedback control loop to acquire high quality d 2 I/dV 2 images. We have developed a constant differential conductance imaging method by closing the STM feedback loop with a high precision dI/dV measurement. In this mode, the tip’s vertical position is adjusted so as to keep the differential conductance constant during raster scanning of the surface. Based on this imaging mode, we propose a new technique to acquire fast and reliable scanning tunneling spectroscopy (STS) data simultaneously with the imaging.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Electric discharge initiation in water with gas bubbles: A time scale approach

High voltage nanosecond pulse driven electric discharges in de-ionized water with an argon bubble suspended between two electrodes were experimentally investigated. Two electrode configurations were used to temporally resolve the time scales of the discharge from the applied voltage rise time (7 ns), through the end of the first pulse (∼30 ns), and longer (>50 ns). We found that, in positive and negative applied voltage polarities, discharge initiates in the water at the tip of the anode. The discharge in the water rapidly extends (∼104 m/s) to the apex of the bubble and light emitted from inside the bubble begins to form. The steep rate of rise of the applied voltage (dV/dt<4 kV/ns) and the short time for the development of discharge in the water suggest that cavitation is a likely mechanism for discharge initiation and propagation in water. In addition, the short duration of the applied voltage pulse results in only a partial Townsend discharge inside the bubble.

Sponsel, Nicholas L. (ORCID:0000000181729378)↗

DOE OSTI2020

A new approach to removing H atoms in hydrogen depassivation lithography

Hydrogen deppasivation lithography (HDL) carried out by a scanning tunneling microscope (STM) is used to make patterns of Si dimers on a hydrogen passivated silicon surface. In this paper we discuss a new STM mode of operation that is highly suitable for removing single H atoms from the surface. This is made possible by changes we have made to the STM feedback control system that allows the STM to remove hydrogen atoms without switching the operational mode from imaging to lithography. Employing this method can potentially reduce the chance of tip-sample crash and increase the lithography precision.

Moheimani, S. O. Reza↗

DOE OSTI2022

Understanding the Elastic, Plastic, and Damage Features in Fracturing of Self-reinforced Thermoplastic Composites via Non-destructive Digital Imaging Correlation

This work demonstrated the utilization of non-destructive Digital Imaging Correlation (DIC) method to characterize the elastic, plastic, and damage features during the Mode I intra-laminar fracturing process of self-reinforced thermoplastic composites by using a self-reinforced polypropylene (PP) composite as an example. The DIC results clearly showed the development of huge plastic zone (PZ) and non-negligible Fracture Process Zone (FPZ) in front of the notch tip during the fracturing process, and the geometries and sizes of the foregoing zones at the peak load were further quantified. Such an interesting fracturing behavior of self-reinforced thermoplastic composites is way different from brittle materials (e.g., glass, acrylic, etc.), ductile materials (e.g., aluminum, steel, etc.), and even quasi-brittle materials (e.g., concrete, nanoparticle-reinforced composites, tough ceramics, wood, cement, carbon/glass fiber-reinforced polymers, etc.). Thus, understanding the elastic, plastic, and damage features is the first step before better characterizing the material fracture properties of self-reinforced thermoplastic composites through new analytical methods and computational modeling. These efforts are of utmost importance for wide applications of self-reinforced thermoplastic composites in various engineering fields in the future.

Lightweight Composites, Self-reinforced Thermoplas↗

DOE OSTI2022

Near-field acoustical holography and acoustic power analysis of a simulated, highly heated supersonic jet

Although near-field acoustical holography (NAH) and acoustic intensity analysis have previously been used to investigate the apparent jet noise sources produced by military aircraft, explicit connections to supersonic jet characteristics cannot be made due to a lack of information about the exhaust plume. Here, to begin to bridge this gap and better understand the source information yielded by NAH, the current study instead applies NAH to a virtual measurement of the near-field pressures of a highly heated laboratory-scale supersonic jet generated by large-eddy simulation (LES). The holographic reconstructions of the pressure, particle velocity, and acoustic intensity are found to match the LES-generated acoustic field well and are used to calculate the acoustic power of the jet. The jet's calculated overall acoustic power is compared to the free-stream mechanical power, resulting in an acoustic efficiency of 1.5%. Ray-tracing of the acoustic intensity to the jet centerline generates an axial distribution of the acoustic power origin, showing that almost all the power originates from the supersonic portion of the flow and with the distribution peak upstream of the potential core tip. Holographic reconstruction of the pressures along the nozzle lipline captures the general spectral shape of the LES-generated pressures, though it underestimates the amplitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Ultrahigh-resolution scanning microwave impedance microscopy of moiré lattices and superstructures

Two-dimensional heterostructures composed of layers with slightly different lattice vectors exhibit new periodic structure known as moiré lattices, which, in turn, can support novel correlated and topological phenomena. Moreover, moiré superstructures can emerge from multiple misaligned moiré lattices or inhomogeneous strain distributions, offering additional degrees of freedom in tailoring electronic structure. High-resolution imaging of the moiré lattices and superstructures is critical for understanding the emerging physics. Here, we report the imaging of moiré lattices and superstructures in graphene-based samples under ambient conditions using an ultrahigh-resolution implementation of scanning microwave impedance microscopy. Although the probe tip has a gross radius of ~100 nm, spatial resolution better than 5 nm is achieved, which allows direct visualization of the structural details in moiré lattices and the composite super-moiré. We also demonstrate artificial synthesis of novel superstructures, including the Kagome moiré arising from the interplay between different layers.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Nickel particle–enabled width-controlled growth of bilayer molybdenum disulfide nanoribbons

Transition metal dichalcogenides exhibit a variety of electronic behaviors depending on the number of layers and width. Therefore, developing facile methods for their controllable synthesis is of central importance. We found that nickel nanoparticles promote both heterogeneous nucleation of the first layer of molybdenum disulfide and simultaneously catalyzes homoepitaxial tip growth of a second layer via a vapor-liquid-solid (VLS) mechanism, resulting in bilayer nanoribbons with width controlled by the nanoparticle diameter. Simulations further confirm the VLS growth mechanism toward nanoribbons and its orders of magnitude higher growth speed compared to the conventional noncatalytic growth of flakes. Width-dependent Coulomb blockade oscillation observed in the transfer characteristics of the nanoribbons at temperatures up to 60 K evidences the value of this proposed synthesis strategy for future nanoelectronics.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Driving energetically unfavorable dehydrogenation dynamics with plasmonics

Nanoparticle surface structure and geometry generally dictate where chemical transformations occur, with higher chemical activity at sites with lower activation energies. Here, we show how optical excitation of plasmons enables spatially modified phase transformations, activating otherwise energetically unfavorable sites. We have designed a crossed-bar Au-PdH x antenna-reactor system that localizes electromagnetic enhancement away from the innately reactive PdH x nanorod tips. Using optically coupled in situ environmental transmission electron microscopy, we track the dehydrogenation of individual antenna-reactor pairs with varying optical illumination intensity, wavelength, and hydrogen pressure. Our in situ experiments show that plasmons enable new catalytic sites, including dehydrogenation at the nanorod faces. Molecular dynamics simulations confirm that these new nucleation sites are energetically unfavorable in equilibrium and only accessible through tailored plasmonic excitation.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Atomic-scale quantum sensing based on the ultrafast coherence of an H 2 molecule in an STM cavity

A scanning tunneling microscope (STM) combined with a pump-probe femtosecond terahertz (THz) laser can enable coherence measurements of single molecules. We report THz pump-probe measurements that demonstrate quantum sensing based on a hydrogen (H 2 ) molecule in the cavity created with an STM tip near a surface. Atomic-scale spatial and femtosecond temporal resolutions were obtained from this quantum coherence. The H 2 acts as a two-level system, with its coherent superposition exhibiting extreme sensitivity to the applied electric field and the underlying atomic composition of the copper nitride (Cu 2 N) monolayer islands grown on a Cu(100) surface. We acquired time-resolved images of THz rectification of H 2 over Cu 2 N islands for variable pump-probe delay times to visualize the heterogeneity of the chemical environment at sub-angstrom scale.

Science & Technology - Other Topics↗

DOE OSTI2022

Exceptional fracture toughness of CrCoNi-based medium- and high-entropy alloys at 20 kelvin

Medium- and high-entropy alloys based on the CrCoNi-system have been shown to display outstanding strength, tensile ductility and fracture toughness (damage-tolerance properties), especially at cryogenic temperatures. Here we examine the J Ic and (back-calculated) K JIc fracture toughness values of the face-centered cubic, equiatomic CrCoNi and CrMnFeCoNi alloys at 20 K. At flow stress values of ~1.5 GPa, crack-initiation K JIc toughnesses were found to be exceptionally high, respectively 235 and 415 MPa√m for CrMnFeCoNi and CrCoNi, with the latter displaying a crack-growth toughness K ss exceeding 540 MPa√m after 2.25 mm of stable cracking, which to our knowledge is the highest such value ever reported. Characterization of the crack-tip regions in CrCoNi by scanning electron and transmission electron microscopy reveal deformation structures at 20 K that are quite distinct from those at higher temperatures and involve heterogeneous nucleation, but restricted growth, of stacking faults and fine nanotwins, together with transformation to the hexagonal closed-packed phase. The coherent interfaces of these features can promote both the arrest and transmission of dislocations to generate respectively strength and ductility which strongly contributes to sustained strain hardening. Indeed, we believe that these nominally single-phase, concentrated solid-solution alloys develop their fracture resistance through a progressive synergy of deformation mechanisms, including dislocation glide, stacking-fault formation, nano-twinning and eventually in situ phase transformation, all of which serve to extend continuous strain hardening which simultaneously elevates strength and ductility (by delaying plastic instability), leading to truly exceptional resistance to fracture.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Programming twist angle and strain profiles in 2D materials

Moiré superlattices in twisted two-dimensional materials have generated tremendous excitement as a platform for achieving quantum properties on demand. However, the moiré pattern is highly sensitive to the interlayer atomic registry, and current assembly techniques suffer from imprecise control of the average twist angle, spatial inhomogeneity in the local twist angle, and distortions caused by random strain. We manipulated the moiré patterns in hetero- and homobilayers through in-plane bending of monolayer ribbons, using the tip of an atomic force microscope. This technique achieves continuous variation of twist angles with improved twist-angle homogeneity and reduced random strain, resulting in moiré patterns with tunable wavelength and ultralow disorder. Our results may enable detailed studies of ultralow-disorder moiré systems and the realization of precise strain-engineered devices.

Science & Technology - Other Topics↗

DOE OSTI2025

Pair wave function symmetry in UTe2 from zero-energy surface state visualization

Although nodal spin-triplet topological superconductivity appears probable in uranium ditelluride (UTe 2 ), its superconductive order parameter Δ k remains unestablished. In theory, a distinctive identifier would be the existence of a superconductive topological surface band, which could facilitate zero-energy Andreev tunneling to an s-wave superconductor and also distinguish a chiral from a nonchiral Δ k through enhanced s-wave proximity. In this study, we used s-wave superconductive scan tips and detected intense zero-energy Andreev conductance at the UTe 2 (0-11) termination surface. Imaging revealed subgap quasiparticle scattering interference signatures with a-axis orientation. The observed zero-energy Andreev peak splitting with enhanced s-wave proximity signifies that Δ k of UTe 2 is a nonchiral state: B 1u , B 2u , or B 3u . However, if the quasiparticle scattering along the a axis is internodal, then a nonchiral B 3u state is the most consistent for UTe 2 .

Gu, Qiangqiang [Cornell Univ., Ithaca, NY (United ↗

DOE OSTI2024

Enhanced transport of bacteria along root systems by protists can impact plant health

ABSTRACT Soil protists have been shown to contribute to the structure and function of the rhizosphere in a variety of ways. Protists are key contributors to nutrient cycling through the microbial loop, where biomass is digested by protists and otherwise stored nutrients are returned to the environment. Protists have also been shown to feed on plant pathogenic bacteria and alter root microbiomes in ways that may benefit plants. Recently, a mechanism involving bacterial transport, facilitated by protists, has been hypothesized to contribute to the spatial distribution of bacteria in the rhizosphere. Here, we observe the differential abilities of three soil protists: a ciliate (Colpodasp.), a flagellate (Cercomonassp.), and a naked amoeba (Acanthamoeba castellanii) to transport nitrogen-fixingSinorhizobium melilotito infectible root tips. Co-inoculation of protists plusS. melilotiresulted in the movement of bacteria, as measured by the presence of nitrogen-fixing nodules, up to 15 cm farther down the root systems when compared to plants inoculated withS. melilotialone. Co-inoculation of the ciliate, Colpodasp., withS. meliloti, resulted in shoot weights that were similar to plants that grew in nitrogen-replete potting mix.Colpodasp.-feeding style and motility likely contributed to their success at transporting bacteria through the rhizosphere. We observed that the addition of protists alone without the co-inoculum ofS. melilotiresulted in plants with larger shoot weights than control plants. Follow-up experiments showed that protists plus their associated microbiomes were aiding in plant health, likely through means of nutrient cycling. IMPORTANCE Protists represent a significant portion of the rhizosphere microbiome and have been shown to contribute to plant health, yet they are understudied compared to their bacterial and fungal counterparts. This study elucidates their role in the rhizosphere community and suggests a mechanism by which protists can be used to move bacteria along plant roots. We found that the co-inoculation of protists with nitrogen-fixing beneficial bacteria,Sinorhizobium meliloti, resulted in nodules farther down the roots when compared to plants inoculated with S.melilotialone, and shoot weights similar to plants that received nitrogen fertilizer. These data illustrate the ability of protists to transport viable bacteria to uninhabited regions of the root system.

Biotechnology & Applied Microbiology↗

DOE OSTI2024

Cryogenic electron tomography reveals novel structures in the apical complex of Plasmodium falciparum

Intracellular infectious agents, like the malaria parasite, Plasmodium falciparum, face the daunting challenge of how to invade a host cell. This problem may be even harder when the host cell in question is the enucleated red blood cell, which lacks the host machinery co-opted by many pathogens for internalization. Evolution has provided P. falciparum and related single-celled parasites within the phylum Apicomplexa with a collection of organelles at their apical end that mediate invasion. This apical complex includes at least two sets of secretory organelles, micronemes and rhoptries, and several structural features like apical rings and a putative pore through which proteins may be introduced into the host cell during invasion. We perform cryogenic electron tomography (cryo-ET) equipped with Volta Phase Plate on isolated and vitrified merozoites to visualize the apical machinery. Through tomographic reconstruction of cellular compartments, we see new details of known structures like the rhoptry tip interacting directly with a rosette resembling the recently described rhoptry secretory apparatus (RSA), or with an apical vesicle docked beneath the RSA. Subtomogram averaging reveals that the apical rings have a fixed number of repeating units, each of which is similar in overall size and shape to the units in the apical rings of tachyzoites of Toxoplasma gondii. Comparison of these polar rings in Plasmodium and Toxoplasma parasites also reveals them to have a structurally conserved assembly pattern. These results provide new insight into the essential and structurally conserved features of this remarkable machinery used by apicomplexan parasites to invade their respective host cells.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Enhancing trap and fault seal analyses by integrating observations from HR3D seismic data with well logs and conventional 3D seismic data, Texas inner shelf

An understanding of trap and fault seal quality is critical for assessing hydrocarbon prospectivity. To achieve this, modern analytical techniques leverage well data and conventional industry-standard 3D seismic data to evaluate the trap, and any faults displacing the reservoir and top seal intervals. Above all, geological interpretation provides the framework of trap and fault seal analyses, but can be hindered by the data resolution, quality and acquisition style of the conventional seismic data. Furthermore, limiting the analysis to only the petroleum system at depth may lead to erroneous perceptions because interpreting overburden features, such as shallow faults or gas chimneys, can provide valuable observations with respect to container performance, and can to help validate trap and fault seal predictions. Here, a supplement to conventional 3D data are high-resolution 3D seismic (HR3D) data, which provide detailed images of the overburden geology. This study utilizes an HR3D seismic volume in the San Luis Pass area of the Texas inner shelf, where shallow fault tips and a sizeable gas chimney are interpreted over an unsuccessful hydrocarbon prospect. Static post-drill fault seal and trap analyses suggest that the primary fault displacing the structural closure could have withheld columns of gas c. 100 m high, but disagree with our HR3D seismic interpretations and dry-well analyses. From our results, we hypothesize that tertiary gas migration through fault conduits reduced the hydrocarbon column in the prospective Early Miocene reservoir, and may have resulted from continued movement along the intersecting faults. Overall, this study reinforces the importance of understanding the overburden geology and geohistory of faulted prospects, and demonstrates the utility of pre-drill HR3D acquisition when conducting trap and fault seal analyses.

3D seismic↗