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At least 667 records · Page 37

An accessible approach to preparing water-soluble Mn 2+ -doped (CdSSe)ZnS (core)shell nanocrystals for ratiometric temperature sensing

Here, a new synthetic scheme allowing structural modifications to temperature-sensitive and water-soluble d-penicillamine-passivated Mn 2+ -doped (CdSSe)ZnS (core)shell nanocrystals (MnQDs) was reported using air-stable chemicals. The temperature-dependent optical properties of the nanocrystals were tuned by changing their structure and composition—the ZnS shell thickness and the Mn 2+ -dopant concentration. Thick ZnS shells significantly reduce the interference of nonradiative transitions on ratiometric emission intensities. High-dopant concentration affords consistent temperature sensitivity. In addition to the new base structure for quantum dot ratiometric temperature sensing via flexible, glovebox-free routes, the results also underscore the generalizability of the emission intensity ratio scheme for temperature sensing, originally proposed for rare-earth-doped materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Electronic Structure and Epitaxy of CdTe Shells on InSb Nanowires

Abstract Indium antimonide (InSb) nanowires are used as building blocks for quantum devices because of their unique properties, that is, strong spin‐orbit interaction and large Landé g‐factor. Integrating InSb nanowires with other materials could potentially unfold novel devices with distinctive functionality. A prominent example is the combination of InSb nanowires with superconductors for the emerging topological particles research. Here, the combination of the II–VI cadmium telluride (CdTe) with the III–V InSb in the form of core–shell (InSb–CdTe) nanowires is investigated and potential applications based on the electronic structure of the InSb–CdTe interface and the epitaxy of CdTe on the InSb nanowires are explored. The electronic structure of the InSb–CdTe interface using density functional theory is determined and a type‐I band alignment is extracted with a small conduction band offset ( ⩽0.3 eV). These results indicate the potential application of these shells for surface passivation or as tunnel barriers in combination with superconductors. In terms of structural quality, it is demonstrated that the lattice‐matched CdTe can be grown epitaxially on the InSb nanowires without interfacial strain or defects. These shells do not introduce disorder to the InSb nanowires as indicated by the comparable field‐effect mobility measured for both uncapped and CdTe‐capped nanowires.

36 MATERIALS SCIENCE↗

DeFault: DEep‐Learning‐Based FAULT Delineation Using the IBDP Passive Seismic Data at the Decatur CO2 Storage Site

Abstract The carbon capture, utilization, and storage (CCUS) framework is an essential component in reducing greenhouse gas emissions, with its success hinging on the comprehensive knowledge of subsurface geology and geomechanics. Passive seismic event relocation and fault detection offer vital insights into subsurface structures and the ability to monitor fluid migration pathways. Accurate identification and localization of seismic events, however, face significant challenges, including the necessity for high‐quality seismic data and advanced computational methods. To address these challenges, we introduce a novel deep learning method, , specifically designed for passive seismic source relocation and fault delineating for passive seismic monitoring projects. By leveraging data domain‐adaptation, allows us to train a neural network with labeled synthetic data and apply it directly to field data. Using , the passive seismic sources are automatically clustered based on their recording time and spatial locations, and subsequently, faults and fractures are delineated accordingly. We demonstrate the efficacy of on a field case study involving injection related microseismic data from Decatur, Illinois area. Our approach accurately and efficiently relocated passive seismic events, identified faults and could aid in potential damage induced by seismicity. Our results highlight the potential of as a valuable tool for passive seismic monitoring, emphasizing its role in ensuring CCUS project safety. This research bolsters the understanding of subsurface characterization in CCUS, illustrating machine learning’s capacity to refine these methods. Ultimately, our work has significant implications for CCUS technology deployment, an essential strategy in combating climate change. Plain Language Summary In our quest to tackle climate change, we use a strategy known as carbon capture, utilization, and storage (CCUS) to keep greenhouse gases out of the atmosphere. This strategy relies heavily on our ability to understand what's happening deep under the earth's surface. To make sure we store super critical safely, we need to accurately map out the geological structure, especially faults, but this is tough without high‐quality data and complex computer programs. We've developed a new tool called “DeFault,” which uses advanced machine learning to improve how we find and map these underground features. “DeFault” is smart enough to learn from numerically simulated data and then apply what it’s learned to real‐world situations. It groups together seismic activity—tiny tremors and shifts in the earth—based on when and where they happen, which helps us spot where there might be cracks or faults. We tested “DeFault” in Illinois, where CO 2 is injected underground, and it successfully pinpointed where these tremors occurred and mapped out the faults, helping to prevent accidents accurately in the future. Our study shows that “DeFault” will be a powerful ally in making CCUS safer and more effective, especially for the Illinois Basin Decatur Project. Key Points Faults and fractures introduced by carbon storage can be monitored by passive seismicity DeFault algorithm enables an automatic process for accurate and efficient passive seismic event locating and clustering

58 GEOSCIENCES↗

TPSAS-NF1676L-11812-DND

Reducing the weight of spacecraft will reduce the fabrication costs and the launch costs . The elimination of wiring and wiring harnesses reduces the total mass of the vehicle . Wireless sensor technology can reduce the weight and therefore the costs of spacecraft . The Decadal Survey of Civil Aeronautics survey identified that "self-powered, wireless microelectromechanical sensors" warrant attention over the next decade . Current wireless sensor systems have low data rates and require batteries. The environment of aerospace vehicles is often very harsh, with temperature extremes ranging from cryogenic to very high temperatures during re-entry. For example, X-37B mini unmanned shuttle will require high temperature sensors mounted on the structure, as well as cryogenic sensors for monitoring fuel tanks. Batteries do not work well in either temperature extremes. Also, sensors are typically located in internal structures with limited access, making the periodic changing of batteries costly and time consuming. Passive wireless sensors are needed that operate across an extremely large temperature range and do not require batteries. NASA recently instrumented an all Composite Crew Module for structural testing on the ground. Wireless sensors could have reduced the time to instrument the module and check out the sensor wiring.

W (Cy) Wilson↗

Optical Coating Performance and Thermal Structure Design for Heat Reflectors of JWST Electronic Control Unit

The James Webb Space Telescope (JWST) consists of an infrared-optimized Optical Telescope Element (OTE) that is cooled down to 40 degrees Kelvin. A second adjacent component to the OTE is the Integrated Science Instrument Module, or ISIM. This module includes the electronic compartment, which provides the mounting surfaces and ambient thermally controlled environment for the instrument control electronics. Dissipating the 200 watts generated from the ISIM structure away from the OTE is of paramount importance so that the spacecraft's own heat does not interfere with the infrared light detected from distant cosmic sources. This technical challenge is overcome by a thermal subsystem unit that provides passive cooling to the ISIM control electronics. The proposed design of this thermal radiator consists of a lightweight structure made out of composite materials and low-emittance metal coatings. In this paper, we will present characterizations of the coating emittance, bidirectional reflectance, and mechanical structure design that will affect the performance of this passive cooling system.

Quijada, Manuel A.↗

Oxygen vacancy-driven evolution of structural and electrical properties in SrFeO 3₋δ thin films and a method of stabilization

Epitaxial SrFeO 3-δ (SFO) thin films have been grown on various substrates by pulsed laser deposition. The structural and electrical properties of SFO thin films are monitored with time in different atmospheres at room temperature, showing time-dependent crystal structure and electrical conductivity. The increased out-of-plane lattice parameter and resistivity over time are associated with the increased oxygen vacancies density in SFO thin films. The epitaxial strain plays an important role in determining the initial resistivity, and the sample environment determines the trend of resistivity change over time. An amorphous Al 2 O 3 passivation layer has been found to be effective in stabilizing the structure and electrical properties of SFO thin films. Lastly, this work explores time dependent structure and properties variation in oxide films and provides a way to stabilize thin film materials that are sensitive to oxygen vacancies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dual passivation of GaAs (110) surfaces using O{sub 2}/H{sub 2}O and trimethylaluminum

The nucleation and passivation of oxide deposition was studied on defect-free GaAs (110) surfaces to understand passivation of surfaces containing only III-V heterobonds. The passivation process on GaAs (110) was studied at the atomic level using scanning tunneling microscopy while the electronic structure was determined by scanning tunneling spectroscopy (STS). The bonding of the oxidant and reductant were modeled with density functional theory. To avoid Fermi level pinning during gate oxide atomic layer deposition, a dual passivation procedure was required using both a reductant, trimethylaluminum (TMA), and an oxidant, O{sub 2} or H{sub 2}O. Dosing GaAs (110) with TMA resulted in the formation of an ordered complete monolayer of dimethylaluminum which passivates the group V dangling bonds but also forms metal-metal bonds with conduction band edge states. These edge states were suppressed by dosing the surface with oxidants O{sub 2} or H{sub 2}O which selectively react with group III-aluminum bonds. The presence of an ordered Al monolayer with a high nucleation density was indirectly confirmed by XPS and STS.

36 MATERIALS SCIENCE↗

The encapsulin from Thermotoga maritima is a flavoprotein with a symmetry matched ferritin-like cargo protein

Abstract Bacterial nanocompartments, also known as encapsulins, are an emerging class of protein-based ‘organelles’ found in bacteria and archaea. Encapsulins are virus-like icosahedral particles comprising a ~ 25–50 nm shell surrounding a specific cargo enzyme. Compartmentalization is thought to create a unique chemical environment to facilitate catalysis and isolate toxic intermediates. Many questions regarding nanocompartment structure–function remain unanswered, including how shell symmetry dictates cargo loading and to what extent the shell facilitates enzymatic activity. Here, we explore these questions using the model Thermotoga maritima nanocompartment known to encapsulate a redox-active ferritin-like protein. Biochemical analysis revealed the encapsulin shell to possess a flavin binding site located at the interface between capsomere subunits, suggesting the shell may play a direct and active role in the function of the encapsulated cargo. Furthermore, we used cryo-EM to show that cargo proteins use a form of symmetry-matching to facilitate encapsulation and define stoichiometry. In the case of the Thermotoga maritima encapsulin, the decameric cargo protein with fivefold symmetry preferentially binds to the pentameric-axis of the icosahedral shell. Taken together, these observations suggest the shell is not simply a passive barrier—it also plays a significant role in the structure and function of the cargo enzyme.

59 BASIC BIOLOGICAL SCIENCES↗

The dynamics of large flexible earth pointing structures with a hybrid control system

The dynamics and control of large flexible structures nominally oriented along the local horizontal are analyzed. Orientation and shape control is assumed to be provided by a hybrid system consisting of a passive spring loaded gimballed dumbbell damper in addition to active point thrusters. In addition to the passive damping capability, the dumbbell, through attachment at the center of mass of the main structure, also provides a favorable composite moment of inertia ratio required for gravitational stabilization. The hybrid system is seen to generally result in improved transient responses to initial perturbations in orientation and modal shape functions, while requiring less force impulse than that for the active system operating alone.

Bainum, P. M.↗

Sub-THz passive detector performance evaluation with RadiaBeam photoinjector

Wakefield accelerators, based on THz and mm-wave structures, promise to reach the highest energies in record small footprints. However, operation at such frequencies is associated with strong generation of dipole modes that can destroy the beams, which requires controlling the electron beam position at the micron scale. The existing conventional techniques for electron beam position monitoring are not applicable for sub-THz structures due to the space constraints. Here, on the other hand, if dipole modes amplitudes can be measured precisely at different planes, one can derive beam position relative to the central axis. For such a technique a reliable and cost-effective sensor capable of operating in high repletion rate regime is required. In this paper we review the experimental evaluation of a passive sensor candidate for such applications using RadiaBeam 4.5 MeV photoinjector.

Accelerator↗

Nonuniform Charge Collection in SiOx-Based Passivated-Contact Silicon Solar Cells

In this contribution, we report on the charge-collection characteristics of silicon photovoltaic devices using passivated contacts based on the c-Si/SiO x /poly-Si structure. Using electron-beam induced current (EBIC) imaging in plan-view and cross-section orientations, we find that charge collection in a device with a 1.5-nm-thick SiO x layer is fairly uniform in the p-n junction region and does not appear to be influenced by pyramidal surface texture. In contrast, a device with a 2.2-nm-thick oxide layer shows significant spatial variation in the charge-collection signal. The apexes of the pyramids exhibit reduced EBIC signal whereas the valleys between adjacent pyramids show the strongest collection. Our results indicate that charge collection in c-Si/SiO x /poly-Si structures can be influenced by both the properties of the SiO x layer and surface texture.

14 SOLAR ENERGY↗

SU-E-T-375: Passive Scattering to Pencil-Beam-Scanning Comparison for Medulloblastoma Proton Therapy: LET Distributions and Radiobiological Implications

Purpose: To compare the linear energy transfer (LET) distributions between passive scattering and pencil beam scanning proton radiation therapy techniques for medulloblastoma patients and study the potential radiobiological implications. Methods: A group of medulloblastoma patients, previously treated with passive scattering (PS) proton craniospinal irradiation followed by prosterior fossa or involved field boost, were selected from the patient database of our institution. Using the beam geometry and planning computed tomography (CT) image sets of the original treatment plans, pencil beam scanning (PBS) treatment plans were generated for the cranial treatment for each patient, with average beam spot size of 8mm (sigma in air at isocenter). 3-dimensional dose and LET distributions were calculated by Monte Carlo methods (TOPAS) both for the original passive scattering and new pencil beam scanning treatment plans. LET volume histograms were calculated for the target and OARs and compared for the two delivery methods. Variable RBE weighted dose distributions and volume histograms were also calculated using a variable dose and LET-based model. Results: Better dose conformity was achieved with PBS planning compared to PS, leading to increased dose coverage for the boost target area and decreased average dose to the structures adjacent to it and critical structures outside the whole brain treatment field. LET values for the target were lower for PBS plans. Elevated LET values for OARs close to the boosted target areas were noticed, due to end of range of proton beams falling inside these structures, resulting in higher RBE weighted dose for these structures compared to the clinical RBE value of 1.1. Conclusion: Transitioning from passive scattering to pencil beam scanning proton radiation treatment can be dosimetrically beneficial for medulloblastoma patients. LET–guided treatment planning could contribute to better decision making for these cases, especially for critical structures at close proximity to the boosted target area.

60 APPLIED LIFE SCIENCES↗

Effects of organized turbulence structures on the phase distortion in a coherent optical beam propagating through a turbulent shear flow

Phase distortion in a coherent optical beam propagating through a turbulent shear flow is studied. The instantaneous distribution of the index refraction is represented by a passive-scalar field in a computed homogeneous shear flow. The flow contains organized vortical structures (hairpin eddies), which are characteristic of turbulent shear flows. The phase distortion induced by turbulent fluctuations is calculated from the optical path difference through the flow. A conceptual model is proposed for the distribution of scalar fluctuations produced by the hairpin vortices in the shear flow. It is shown that the phase distortion of an optical beam can be minimized by propagating the beam at an angle approximately normal to the organized vortical structures in a turbulent shear flow.

Truman, C. Randall↗

Local Structure and Electronic State of Atomically Dispersed Pt Supported on Nanosized CeO 2

Single atom catalysts (SACs) have shown high activity and selectivity in a growing number of chemical reactions. Many efforts aimed at unveiling the structure–property relationships underpinning these activities and developing synthesis methods for obtaining SACs with the desired structures are hindered by the paucity of experimental methods capable of probing the attributes of local structure, electronic properties, and interaction with support—features that comprise key descriptors of their activity. Here in this work, we describe a combination of experimental and theoretical approaches that include photon and electron spectroscopy, scattering, and imaging methods, linked by density functional theory calculations, for providing detailed and comprehensive information on the atomic structure and electronic properties of SACs. This characterization toolbox is demonstrated here using a model single atom Pt/CeO 2 catalyst prepared via a sol–gel-based synthesis method. Isolated Pt atoms together with extra oxygen atoms passivate the (100) surface of nanosized ceria. A detailed picture of the local structure of Pt nearest environment emerges from this work involving the bonding of isolated Pt 2+ ions at the hollow sites of perturbed (100) surface planes of the CeO 2 support, as well as a substantial (and heretofore unrecognized) strain within the CeO 2 lattice in the immediate vicinity of the Pt centers. The detailed information on structural attributes provided by our approach is the key for understanding and improving the properties of SACs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In-Process Monitoring and Structural Health Monitoring of Large-Scale Additive Manufacturing Using Acoustic Emission Technique

ORNL collaborated with MISTRAS Group, Inc. to investigate acoustic emission (AE) as a structural health monitoring (SHM) method for large-scale additive manufacturing (AM). Large-scale AM is being adapted as method of producing large structures in a short lead time and cost-effective way. With the growing advancement in AM techniques and application, machine monitoring and part qualification is highly needed. There has been leading research focused on the manufacturing, feedstock material but minimum research on the SHM, defect detection, and nondestructive evaluation (NDE) for AM. Scanning large structure using conventional nondestructive testing (NDT) techniques, such as ultrasound or X-ray, and searching for potential defects can be very time consuming, challenging and cost prohibitive. AE is a passive technique that can be used to monitor and locate defect progression in large structure by distributing group of sensors around the part. This project utilized AE technique and system manufactured/designed by MISTRAS Group to monitor large-scale AM equipment (i.e. Big Area Additive Manufacturing (BAAM) system located at the Oak Ridge National Laboratory – Manufacturing Demonstration Facility (ORNL-MDF) and the printed parts it produces. The AE system provided valuable insight on defect development/progression during and post-printing process.

36 MATERIALS SCIENCE↗

Frequency domain solutions to multi-degree-of-freedom, dry friction damped systems under periodic excitation

The anticipated low damping level in large space structures (LSS) has been a major concern for the designers of these structures. Low damping degrades the free response and complicates the design of shape and attitude controllers for flexible spacecraft. Dry friction damping has been considered as a means of increasing the passive damping of LSS, by placing it in the joints and connecting junctures of structures. However, dry friction is highly nonlinear and, hence, analytical investigations are difficult to perform. Here, a multi-harmonic, frequency domain solution technique is developed and applied to a multi-DOF, dry friction damped system. It is seen that the multi-harmonic method is much more accurate than traditional, one harmonic solution methods. The method also compares well with time integration. Finally, comparisons are made with experimental results.

Ferri, A. A.↗

COMPUTATION FLUID DYNAMICS ANALYSIS FOR GENERIC SMALL MODULAR REACTOR CONTAINMENT SEPARATE EFFECTS TEST

It is desirable for fourth-generation Small Modular Reactors to be passively cooled in standard and accident operations. Passive Containment Cooling Systems can reject heat from the containment structure, without using pumps or blowers. The targeted design containment structure is a large, domed, stainless steel, cylindrical vessel. In a postulated Design Basis Accident, steam will flash inside containment. Steam condensation occurs on the inner containment wall and transfers heat through the steel containment into a large body of water known as the annular reservoir (AR) surrounding the vessel serving as the ultimate heat sink. Natural circulation drives the flow in the AR and heat will be released to the environment by evaporation of water. Unique containment geometry requires a separate effects test (SET) facility for the verification and validation of the computer code and evaluation model development and assessment for reactor licensing efforts. In this study, STAR-CCM+, a computational fluid dynamics (CFD) code was used to inform the decision-making process on the design of the SET. The CFD simulation modeled, a two-phase turbulent flow with fluid film development and heat transfer for different containment geometries. The Reactor Excursion and Leak Analysis Program will also be used in a code-to-code verification against the CFD results.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

Major Characteristics of Southern Ocean Cloud Regimes and Their Effects on the Energy Budget

Clouds over the Southern Ocean are often poorly represented by climate models, but they make a significant contribution to the top-of-atmosphere (TOA) radiation balance, particularly in the shortwave portion of the energy spectrum. This study seeks to better quantify the organization and structure of Southern Hemisphere midlatitude clouds by combining measurements from active and passive satellite-based datasets. Geostationary and polar-orbiter satellite data from the International Satellite Cloud Climatology Project (ISCCP) are used to quantify large-scale, recurring modes of cloudiness, and active observations from CloudSat and Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) are used to examine vertical structure, radiative heating rates, and precipitation associated with these clouds. It is found that cloud systems are organized into eight distinct regimes and that ISCCP overestimates the midlevel cloudiness of these regimes. All regimes contain a relatively high occurrence of low cloud, with 79%of all cloud layers observed having tops below 3 km, but multiple-layered clouds systems are present in approximately 34% of observed cloud profiles. The spatial distribution of regimes varies according to season, with cloud systems being geometrically thicker, on average, during the austral winter. Those regimes found to be most closely associated with midlatitude cyclones produce precipitation the most frequently, although drizzle is extremely common in low-cloud regimes. The regimes associated with cyclones have the highest in-regime shortwave cloud radiative effect at the TOA, but the low-cloud regimes, by virtue of their high frequency of occurrence over the oceans, dominate both TOA and surface shortwave effects in this region as a whole.

Haynes, John M.↗