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DOE OSTI2024

Direct, simple and efficient computation of all components of the virtual-casing magnetic field in axisymmetric geometries with Kapur–Rokhlin quadrature

In a recent publication (Toler et al., J. Plasma Phys., vol. 89, issue 2, 2023, p. 905890210), we demonstrated that for axisymmetric geometries, the Kapur–Rokhlin quadrature rule provided an efficient and high-order accurate method for computing the normal component, on the plasma surface, of the magnetic field due to the toroidal current flowing in the plasma, via the virtual-casing principle. The calculation was indirect, as it required the prior computation of the magnetic vector potential from the virtual-casing principle, followed by the computation of its tangential derivative by Fourier differentiation, to obtain the normal component of the magnetic field. Our approach did not provide the other components of the virtual-casing magnetic field. In this letter, we show that a more direct and more general approach is available for the computation of the virtual-casing magnetic field. The Kapur–Rokhlin quadrature rule accurately calculates the principal value integrals in the expression for all the components of the magnetic field on the plasma boundary, and the numerical error converges at a rate nearly as high as the indirect method we presented previously.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

High Density Two-Component Glasses of Organic Semiconductors Prepared by Physical Vapor Deposition

Physical Vapor Deposition (PVD) is widely utilized for the production of organic semiconductor devices due to its ability to form thin layers with exceptional properties. Although the layers in the device usually consist of two or more components, there is limited understanding about the fundamental characteristics of such multi-component vapor-deposited glasses. Here, spectroscopic ellipsometry was employed to characterize the densities, thermal stabilities and optical properties of co-vapor deposited NPD and TPD glasses across the entire range of composition. We find that co-deposited NPD and TPD form high density glasses with enhanced thermal stability. The dependences of density and stability upon substrate temperature are correlated, and the birefringence of the co-deposited glasses is determined by the reduced substrate temperature of mixtures. Additionally, we observe that the transformation of a highly stable and dense two-component glass into its supercooled liquid initiates from the free surface and propagates into the bulk at constant velocity, like single component PVD glasses. As a result, all these features are consistent with the surface equilibration mechanism.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2025

Force-Triggered, Biobased Sealants for Prefabricated Building Components: Toward Improved Efficiency and Performance

The prefabricated building construction industry has made extensive progress in expediting the manufacture of prefabricated components at off-site plants. However, the sealing of joints between these components, which is crucial to ensuring the weatherproofing of the assembly, still represents a labor-intensive, on-site effort that relies on the manual installation of tapes and caulks. Here, to reduce work at the jobsite and improve the airtightness and waterproofness of building envelopes, we developed a sealant that can be installed at the plant on prefab components and have the curing reaction triggered at the jobsite by using microencapsulation technology to separate the reactive agents. A series of force-triggered, high-strength, and fast-curing sealants derived from biobased feedstocks were developed, which consist of a biobased epoxy agent encapsulated in a polymer shell, embedded in a biobased amine curing agent. The shell of the microcapsules allows an effective separation of the reactive species in the one-part sealant, allowing shelf stability to an otherwise fast-curing system as well as improving the hydrophobicity of the whole system. When force activates and breaks the microcapsules, the highly reactive epoxy and amine mix and cure, exhibiting peel strength values of up to 143 ppi (pounds per inch). The hydrophobicity of the sealants allows them to retain up to 94% of the original peel strength after complete submersion in water for 24 h, showcasing the water resistivity of the sealant system. The open-air shelf stability of the sealant complex is demonstrated by the obtention of peel strength values of ∼16 ppi when triggering the curing reaction even after being exposed 8 months to open air and humidity. The successful on-demand triggering of curing reactions and the shelf stability provide efficacy of these force-triggered sealants for installation on prefabricated components, storage for months prior to delivery, and assembly at a jobsite. These force-triggered biobased sealants for prefabricated buildings can result in lower installation time and cost and better performance than tapes and caulks at the jobsite.

biobased↗

DOE OSTI2023

Component Assessment of the Electric Transmission Grid to Hurricanes

The increased frequency and intensity of extreme weather events from climate change necessitates understanding impacts on critical infrastructure, particularly electrical transmission grids. One of the foundational concepts of a grid's resilience is its robustness to extreme weather events, such as hurricanes. Resilience of the electric grid to high wind speeds is predicated upon the location and physical characteristics of the system components. Previous modeling assessments of electric grid failure were done at the systems level with assumptions on location and type of specific components. To facilitate more explicit adaptation metrics, accurate component-level information is needed. In this study, we build and utilize a data set of location, physical characteristics, and age of transmission structures for nine counties in the Florida Panhandle. These component characteristics were then simulated for failure under a variety of scenarios using fragility curves. Eight hurricanes were modeled using Hazus from the Federal Emergency Management Administration and the resulting impact to the network was assessed. The network was generated using the transmission lines and towers, showing increasing impacts to network efficiency with larger storms. Although modern transmission structures are built under the more stringent extreme wind loading construction standards, the prevalence of older, wooden transmission structures throughout the region poses a substantial risk to reliable electricity transmission during tropical cyclone events from the Gulf of Mexico.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2018

Retrosynthesis of multi–component metal-organic frameworks

Crystal engineering of metal–organic frameworks (MOFs) has allowed the construction of complex structures at atomic precision, but has yet to reach the same level of sophistication as organic synthesis. The synthesis of complex MOFs with multiple organic and/or inorganic components is ultimately limited by the lack of control over framework assembly in one-pot reactions. Herein, we demonstrate that multi-component MOFs with unprecedented complexity can be constructed in a predictable and stepwise manner under simple kinetic guidance, which conceptually mimics the retrosynthetic approach utilized to construct complicated organic molecules. Four multi-component MOFs were synthesized by the subsequent incorporation of organic linkers and inorganic clusters into the cavity of a mesoporous MOF, each composed of up to three different metals and two different linkers. Furthermore, we demonstrated the utility of such a retrosynthetic design through the construction of a cooperative bimetallic catalytic system with two collaborative metal sites for three-component Strecker reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

The WISSH quasars project: X. Discovery of a multi-component and highly variable UV ultra-fast outflow in a z = 3.6 quasar

We report on the variability of a multi-component broad absorption line (BAL) system observed in the hyper-luminous quasar J1538+0855 at z = 3.6. Observations from the Sloan Digital Sky Survey (SDSS), Very Large Telescope (VLT), Large Binocular Telescope (LBT), and Subaru telescope taken at five different epochs, spanning 17 yr in the observed frame, are presented. We detect three (A, B, and C) CIV variable troughs exhibiting extreme velocities (~40 000–54 000 km s –1 ) similar to the ultra-fast outflows (UFOs) typically observed in the X-ray spectra. The A component of the BAL UFO (v ufo ~ 0.17c) shows strength variations, while B (v ufo ~ 0.15c) and C (v ufo ~ 0.13c) components show changes both in shape and strength, appearing and disappearing at different epochs. In addition, during the last observation on June 2021, the entire BAL system disappeared. The variability trends observed during the first two epochs (1.30 yr rest frame) in the CIV, SiIV, OVI, and NV absorption spectral regions are the same for B and C troughs, while the A component of the BAL varies independently.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Intrinsic and extinction colour components in SNe Ia and the determination of R V

Context.The colour fluctuations of type Ia supernovae (SNe Ia) include intrinsic and extrinsic components, which both contribute to the observed variability. Previous works proposed a statistical separation of these two contributions, but the individual intrinsic colour contributions of each SN Ia were not extracted. In addition, a large uncertainty remains on the value of the parameterR V , which characterises the dust extinction formula. Aims.Leveraging the known parameterisation of the extinction formula for dust in our Galaxy, and applying it to the host galaxy of SNe Ia, we propose a new method of separation –valid for each SN– using the correlations between colour fluctuations. This also allows us to derive a well-constrained value of the extinction parameterR V with different, possibly smaller systematic errors. We also define a three-dimensional space of intrinsic colour fluctuations. Methods.The key ingredients in this attempt at separating the intrinsic and extinction colour components for each SN –and subsequently measuringR V – are the assumption of a linearized dependence of magnitude on the extinction component of colour, a one-dimensional extra-intrinsic colour space (in addition to CaII H&Kλ3945 and Si IIλ4131 contributions) over four independent colours, and the absence of correlation between the intrinsic and extrinsic variabilities. Results.We show that a consistent solution is found under the previous assumptions, but the observed systematic trends point to a (small) inadequacy of the extinction formula. Once corrected, all systematic extinction effects can be cancelled by choosing a single scaling of the extinction colour component as well as an appropriate value ofR V = 2.181 ± 0.117. The observed colours are described within an accuracy of 0.025 mag. The resulting magnitude variability is 0.13 over allUBVRIbandpasses, and this fluctuation is shown to be independent of the bandpass to within 0.02 mag.

Astronomy & Astrophysics↗

DOE OSTI2014

Selection of components for the IDEALHY preferred cycle for the large scale liquefaction of hydrogen

In a future energy scenario, in which storage and transport of liquid hydrogen in large quantities will be used, the efficiency of the liquefaction of hydrogen will be of utmost importance. The goal of the IDEALHY working party is to identify the most promising process for a 50 t/d plant and to select the components, with which such a process can be realized. In the first stage the team has compared several processes, which have been proposed or realized in the past. Based on this information a process has been selected, which is thermodynamically most promising and for which it could be assumed that good components already exist or can be developed in the foreseeable future. Main features of the selected process are the compression of the feed stream to a relatively high pressure level, o-p conversion inside plate-fin heat exchangers and expansion turbines in the supercritical region. Precooling to a temperature between 150 and 100 K will be obtained from a mixed refrigerant cycle similar to the systems used successfully in natural gas liquefaction plants. The final cooling will be produced by two Brayton cycles, both having several expansion turbines in series. The selected overall process has still a number of parameters, which can be varied. The optimum, i.e. the final choice will depend mainly on the quality of the available components. Key components are the expansion turbines of the two Brayton cycles and the main recycle compressor, which may be common to both Brayton cycles. A six-stage turbo-compressor with intercooling between the stages is expected to be the optimum choice here. Each stage may consist of several wheels in series. To make such a high efficient and cost-effective compressor feasible, one has to choose a refrigerant, which has a higher molecular weight than helium. The present preferred choice is a mixture of helium and neon with a molecular weight of about 8 kg/kmol. Such an expensive refrigerant requires that the whole refrigeration loop is extremely tight.

42 ENGINEERING↗

DOE OSTI2014

Scanning tone burst eddy-current thermography (S-TBET) for NDT of carbon fiber reinforced plastic (CFRP) components

Tone Burst Eddy Current technique uses eddy current to apply transient heating inside a component and uses a conventional IR camera for visualization of the response to the transient heating. This technique has been earliest demonstrated for metallic components made of AL, Steel, Stainless Steel, etc., and for detection of cracks, corrosion and adhesive dis-bonds. Although, not nearly as conducting as metals, the Carbon Fibre Reinforced Plastic (CFRP) material absorbs measurable electromagnetic radiation in the frequency range above 10 kHz. When the surface temperature is observed on the surface that is being heated (defined as the surface just beneath and slightly to one side of the heating coil), the surface temperature increases with increasing frequency because the internal heating increases with frequency. A 2-D anisotropic transient Eddy current heating and thermal conduction model has been developed that provides a reasonable description of the processes described above. The inherent anisotropy of CFRP laminates is included in this model by calculating the heating due to three superimposed, tightly coupled isotropic layers having a specified ply-layup. The experimental apparatus consists of an induction heating coil and an IR camera with low NETD and high frame rates. The coil is moved over the sample using a stepper motor controlled manipulator. The IR data recording is synchronized with the motion control to provide a movie of the surface temperature over time. Several components were evaluated for detection of impact damage, location of stiffeners, etc. on CFRP components.

42 ENGINEERING↗

DOE OSTI2014

Kinetic and interaction components of the exact time-dependent correlation potential

The exact exchange-correlation (xc) potential of time-dependent density functional theory has been shown to have striking features. For example, step and peak features are generically found when the system is far from its ground-state, and these depend nonlocally on the density in space and time. We analyze the xc potential by decomposing it into kinetic and interaction components and comparing each with their exact-adiabatic counterparts, for a range of dynamical situations in model one-dimensional two-electron systems. We find that often, but not always, the kinetic contribution is largely responsible for these features that are missed by the adiabatic approximation. The adiabatic approximation often makes a smaller error for the interaction component, which we write in two parts, one being the Coulomb potential due to the time-dependent xc hole. Non-adiabatic features of the kinetic component were also larger than those of the interaction component in cases that we studied when there is negligible step structure. In ground-state situations, step and peak structures arise in cases of static correlation, when more than one determinant is essential to describe the interacting state. We investigate the time-dependent natural orbital occupation numbers and find the corresponding relation between these and the dynamical step is more complex than for the ground-state case.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

The impact of microwave stray radiation to in-vessel diagnostic components

Microwave stray radiation resulting from unabsorbed multiple reflected ECRH / ECCD beams may cause severe heating of microwave absorbing in-vessel components such as gaskets, bellows, windows, ceramics and cable insulations. In view of long-pulse operation of WENDELSTEIN-7X the MIcrowave STray RAdiation Launch facility, MISTRAL, allows to test in-vessel components in the environment of isotropic 140 GHz microwave radiation at power load of up to 50 kW/m{sup 2} over 30 min. The results show that both, sufficient microwave shielding measures and cooling of all components are mandatory. If shielding/cooling measures of in-vessel diagnostic components are not efficient enough, the level of stray radiation may be (locally) reduced by dedicated absorbing ceramic coatings on cooled structures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Anomalous junctions characterized by Raman spectroscopy in Si{sub x}Ge{sub 1−x} nanowires with axially degraded components

The characterization of junctions in nanowires by high-resolution transmission electron microscopy with spherical aberration correction is tricky and tedious. Many disadvantages also exist, including rigorous sample preparation and structural damage inflicted by high-energy electrons. In this work, we present a simple, low-cost, and non-destructive Raman spectroscopy method of characterizing anomalous junctions in nanowires with axially degraded components. The Raman spectra of Si{sub x}Ge{sub 1−x} nanowires with axially degraded components are studied in detail using a confocal micro-Raman spectrometer. Three Raman peaks (ν{sub Si–Si} = 490 cm{sup −1}, ν{sub Si–Ge} = 400 cm{sup −1}, and ν{sub Ge–Ge} = 284 cm{sup −1}) up-shift with increased Si content. This up-shift originates in the bond compression induced by a confined effect on the radial direction of nanowire. The anomalous junctions in Si{sub x}Ge{sub 1−x} nanowires with axially degraded components are then observed by Raman spectroscopy and verified by transmission electron microscopy energy-dispersive X-ray spectroscopy. The anomalous junctions of Si{sub x}Ge{sub 1−x} nanowires with axially degraded components are due to the vortex flow of inlet SiH{sub 4} and GeH{sub 4} gas in their synthesis. The anomalous junctions can be used as raw materials for fabricating devices with special functions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2015

Local pressure components and interfacial tensions of a liquid film in the vicinity of a solid surface with a nanometer-scale slit pore obtained by the perturbative method

A classical molecular dynamics simulation was conducted for a liquid-solid interfacial system with a nanometer-scale slit pore in order to reveal local thermodynamic states: local pressure components and interfacial tensions of a liquid film in the vicinity of the slit. The simulation also examined the transition mechanism between the two states of the liquid film: (a) liquid film on the slit and (b) liquid film in the slit, based on the local thermodynamic quantities from a molecular point of view. An instantaneous expression of the local pressure components and interfacial tensions, which is based on a volume perturbation, was presented to investigate time-dependent phenomena in molecular dynamics simulations. The interactions between the particles were described by the 12-6 Lennard-Jones potential, and effects of the fluid-solid interaction intensity on the local pressure components and interfacial tensions of the fluid in the vicinity of the slit were examined in detail by the presented perturbative method. The results revealed that the local pressure components tangential to the solid surface in the vicinity of the 1st fluid layer from the solid surface are different in a two dimensional plane, and the difference became pronounced in the vicinity of the corner of the slit, for cases where the fluid-solid interaction intensities are relatively strong. The results for the local interfacial tensions of the fluid inside the slit suggested that the local interfacial tensions in the vicinity of the 2nd and 3rd layers of the solid atoms from the entrance of the slit act as a trigger for the transition between the two states under the influence of a varying fluid-solid interaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Powerloads on the front end components and the duct of the heating and diagnostic neutral beam lines at ITER

The heating and current drive beam lines (HNB) at ITER are expected to deliver ∼16.7 MW power per beam line for H beams at 870 keV and D beams at 1 MeV during the H-He and the DD/DT phases of ITER operation respectively. On the other hand the diagnostic neutral beam (DNB) line shall deliver ∼2 MW power for H beams at 100 keV during both the phases. The path lengths over which the beams from the HNB and DNB beam lines need to be transported are 25.6 m and 20.7 m respectively. The transport of the beams over these path lengths results in beam losses, mainly by the direct interception of the beam with the beam line components and reionisation. The lost power is deposited on the surfaces of the various components of the beam line. In order to ensure the survival of these components over the operational life time of ITER, it is important to determine to the best possible extent the operational power loads and power densities on the various surfaces which are impacted by the beam in one way or the other during its transport. The main factors contributing to these are the divergence of the beamlets and the halo fraction in the beam, the beam aiming, the horizontal and vertical misalignment of the beam, and the gas profile along the beam path, which determines the re-ionisation loss, and the re-ionisation cross sections. The estimations have been made using a combination of the modified version of the Monte Carlo Gas Flow code (MCGF) and the BTR code. The MCGF is used to determine the gas profile in the beam line and takes into account the active gas feed into the ion source and neutraliser, the HNB-DNB cross over, the gas entering the beamline from the ITER machine, the additional gas atoms generated in the beam line due to impacting ions and the pumping speed of the cryopumps. The BTR code has been used to obtain the power loads and the power densities on the various surfaces of the front end components and the duct modules for different scenarios of ITER operation. The gas profile and the magnetic field distribution for each scenario has been considered in these evaluations. The worst case power loads and power densities for each surface have been used to study their thermo-mechanical behaviour and manufacturing feasibility. The details of these calculations and results obtained are presented and discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Reduction of a collisional-radiative mechanism for argon plasma based on principal component analysis

This article considers the development of reduced chemistry models for argon plasmas using Principal Component Analysis (PCA) based methods. Starting from an electronic specific Collisional-Radiative model, a reduction of the variable set (i.e., mass fractions and temperatures) is proposed by projecting the full set on a reduced basis made up of its principal components. Thus, the flow governing equations are only solved for the principal components. The proposed approach originates from the combustion community, where Manifold Generated Principal Component Analysis (MG-PCA) has been developed as a successful reduction technique. Applications consider ionizing shock waves in argon. The results obtained show that the use of the MG-PCA technique enables for a substantial reduction of the computational time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Size and shape of grain boundary network components and their atomic structures in polycrystalline nanoscale materials

Microstructure in polycrystalline materials is composed of grain boundary plane, triple junction line, and vertex point. They are the integral parts of the grain boundary network structure and the foundation for the structure-property relations. In polycrystalline, especially nanocrystalline, materials, it becomes increasingly difficult to probe the atomistic structure of the microstructure components directly in experiment due to the size limitation. Here, we present a numerical approach using pair correlation function from atomistic simulation to obtain the detailed information for atomic order and disorder in the grain boundary network in nanocrystalline materials. We show that the atomic structures in the different microstructural components are related closely to their geometric size and shape, leading to unique signatures for atomic structure in microstructural characterization at nanoscales. The dependence varies systematically with the characteristic dimension of the microstructural component: liquid-like disorder is found in vertex points, but a certain order persists in triple junctions and grain boundaries along the extended dimensions of these microstructure components.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Oblique solitary waves in a five component plasma

We investigate the influence of a second electron component on oblique dust ion acoustic solitary waves in a five component plasma consisting of positively and negatively charged dust, hydrogen ions, and hotter and colder electrons. Of these, the heavier dust and colder photo-electrons are of cometary origin while the other two are of solar origin; electron components are described by kappa distributions. The K-dV equation is derived, and different attributes of the soliton such as amplitude and width are plotted for parameters relevant to comet Halley. We find that the second electron component has a profound influence on the solitary wave, decreasing both its amplitude and width. The normalized hydrogen density strongly influences the solitary wave by decreasing its width; the amplitude of the solitary wave, however, increases with increasing solar electron temperatures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

In-vacuum sensors for the beamline components of the ITER neutral beam test facility

Embedded sensors have been designed for installation on the components of the MITICA beamline, the prototype ITER neutral beam injector (Megavolt ITER Injector and Concept Advancement), to derive characteristics of the particle beam and to monitor the component conditions during operation for protection and thermal control. Along the beamline, the components interacting with the particle beam are the neutralizer, the residual ion dump, and the calorimeter. The design and the positioning of sensors on each component have been developed considering the expected beam-surface interaction including non-ideal and off-normal conditions. The arrangement of the following instrumentation is presented: thermal sensors, strain gages, electrostatic probes including secondary emission detectors, grounding shunt for electrical currents, and accelerometers.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗