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At least 667 records · Page 37

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.↗

Simulation of microwave brightness temperatures of an evolving hailstorm at SSM/I frequencies

A simulation of the appearance of an intense hailstorm in the passive microwave spectrum is used to characterize the vertical sources of radiation contributing to the microwave brightness temperatures at the top of the atmosphere. The four frequencies studied correspond to those used on the USAF Special Sensor Microwave Imager. The origin and movement of the radiation are described by two vertically resolved radiative structure functions. Consideration is given to problems relating to precipitation retrieval through passive remote sensing.

Mugnai, Alberto↗

On the design of large flexible space structures (LFSS)

For a general finite-element model of an LFSS, a strictly passive compensator results in an exponentially stable feedback system when actuators and sensors are calculated. In the general case (no colocation), necessary and sufficient conditions are stated on the parameter Q for stabilizing a certain number of modes. Conditions for robust stability are given, and it is shown that feedback does not destabilize the unmodeled modes under certain conditions.

Bhaya, A.↗

Applying Acoustic Emission to Large Format Additive Manufacturing

Large format additive manufacturing (AM) is being adapted as a 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 development and feedstock material but minimum research on the structural health monitoring (SHM), defect detection, and nondestructive evaluation (NDE) for large format 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. Acoustic emission (AE) is a passive technique that can be used to monitor and locate defect progression in large structures by distributing group of sensors around the part. This research outlines the necessary procedure for implementing AE to AM as a reliability method. The topics this research will display are: (a) Wave propagation/velocity evaluation, (b) an AE attenuation characterization for the anisotropic printed structure and material, (c) background noise measurements of the extruder and gantry system, and (d) assist in optimal sensor selection and placement for monitoring large AM structures with demonstration. This work establishes the foundation for scaling up the SHM-AE system for the large additive platform.

Spencer, Ryan↗

Enhanced optoelectronic and elastic responses in fluorinated penta-BCN

We report surface passivation in two-dimensional (2D) materials is one of the best approaches to modulate the structural, dynamical, and mechanical stabilities thereby enhancing chemical and physical properties for optoelectronic applications. Here, we report an ab-initio investigation on structurally, thermally, dynamically, and mechanically stable, and experimentally feasible fluorinated penta-BCN (F-BCN) monolayer. The structural reconstruction after fluorination, increases bond lengths and thickness to reduce the average stiffness and elasticity attaining the mechanical isotropy. Nevertheless, the value of 2D Young’s modulus of F-BCN is comparable to the pristine structure at 6% of compression without mechanical instability. A significant bandgap tailoring is achieved, similar to that of mechanical sensitivity, due to applied strain. Remarkably, following the fluorine passivation, the monolayer’s induced wide direct bandgap semiconducting behavior improves optical absorbance and reflectivity, decreases energy loss, changes optical anisotropy, and makes it a promising candidate material for optoelectronic and nanomechanical applications.

36 MATERIALS SCIENCE↗

Chemical and electronic passivation of 4H-SiC surface by hydrogen-nitrogen mixed plasma

We propose a low-temperature electron cyclotron resonance microwave hydrogen-nitrogen mixed plasma treatment method for passivating 4H-SiC surface and investigate the effects of treatment on the structural, chemical, and electronic properties of the surface. The results indicate that the method is highly controllable and could result in an atomically ordered, unreconstructed, smooth, and clean SiC surface. The absence of surface band bending is indicative of an electronically passivated SiC surface with a surface state density as low as 5.47 × 10{sup 10} cm{sup −2}. This effect could be attributed to the simultaneous effects of H and N passivating on SiC surface.

36 MATERIALS SCIENCE↗

Monodispersed fabrication and dielectric studies on ethylenediamine passivated α-manganese dioxide nanorods

Highlights: • Monodispersed ethylenediamine (EDA) passivated α-MnO{sub 2} nanorods were fabricated by inexpensive wet chemical method. • FTIR analysis indicated that surface passivation is strongly influenced by the introduction of the organic ligand. • XRD and HR-SEM revealed the structure and morphology of the fabricated α-MnO{sub 2} nanorods with an average size of about 40 × 200 nm. • Dielectric studies pointed out that the fabricated α-MnO{sub 2} is semiconducting in nature with resistivity, ρ = 1.46 to 5.76 × 10{sup 3} Ωcm. • The optical energy gap for the fabricated α-MnO{sub 2} nanorods is found to be around 1.37 eV. - Abstract: In this present work, pure α-MnO{sub 2} nanorods were fabricated by the reduction of 0.2 m/L of KMnO{sub 4} with 0.2 m/L of Na{sub 2}S{sub 2}O{sub 3}·5H{sub 2}O and by passivating with the organic ligand Ethylenediamine (EDA). The structural, functional, morphological and chemical composition of the nanorods were investigated by X-Ray Diffractometer (XRD), Fourier Transform Infrared Spectrometer (FTIR), High Resolution Scanning Electron Microscope (HR-SEM) and Energy Dispersive X-Ray Spectrometry (EDX). The XRD analysis indicated high crystalline nature of the product and FTIR confirmed the contribution of the organic ligand in surface passivation. HR-SEM image revealed the morphology of the α-MnO{sub 2} nanorods with an average size of about 40 × 200 nm. EDX confirmed the presence of Mn and O in the material. UV–visible spectrophotometery was used to determine the absorption behavior of the nanorods and an indirect band gap of 1.37 eV was acquired by Taucplot. Dielectric studies were carried out using Broadband Dielectric Spectrometer(BDS) and the resistivity was found to be around the semiconductor range (ρ = 1.46 to 5.76 × 10{sup 3} Ωcm).

36 MATERIALS SCIENCE↗