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At least 1,045 records · Page 58

Equilibrium Separation of Siloxanes in Metal–Organic Frameworks

We present an in silico assessment of metal–organic frameworks (MOFs) for the equilibrium separation of linear and cyclic siloxanes. Using a combination of configurational bias/continuous fractional component Monte Carlo (CB/CFCMC) simulations and Ideal Adsorbed Solution Theory (IAST), we investigated the adsorption of both equimolar and nonequimolar mixtures of linear and cyclic siloxanes in a selection of synthesizable MOFs with medium to large pore volumes. We showed that configurational entropy effects drive the preferential adsorption of linear siloxanes over cyclic siloxanes. Based on synthesizability metrics we identified ZIF-70 as a promising adsorbent for the separation of linear and cyclic siloxanes. Self-diffusivities of linear and cyclic siloxanes in ZIF-70 calculated from molecular dynamics simulations show that equilibrium can be reached on reasonable time scales. We explored vacuum-temperature swing adsorption (VTSA) as a potential method for the recovery of adsorbed linear siloxanes from ZIF-70, achieving a 75% reduction in adsorbed phase concentration. Additionally, we demonstrated that supercritical CO 2 offers an alternative desorption strategy by displacing adsorbed linear siloxanes in ZIF-70 at pressures above 200 bar driven by entropy effects.

Adsorption↗

Fluid aspects of electron streaming instability in electron-ion plasmas

Electrons streaming in a background electron and ion plasma may lead to the formation of electrostatic solitary wave (ESW) and hole structure which have been observed in various space plasma environments. Past studies on the formation of ESW are mostly based on the particle simulations due to the necessity of incorporating particle's trapping effects. In this study, the fluid aspects and thermodynamics of streaming instabilities in electron-ion plasmas including bi-streaming and bump-on-tail instabilities are addressed based on the comparison between fluid theory and the results from particle-in-cell simulations. The energy closure adopted in the fluid model is the polytropic law of d(pρ{sup −γ})/dt=0 with γ being a free parameter. Two unstable modes are identified for the bump-on-tail instability and the growth rates as well as the dispersion relation of the streaming instabilities derived from the linear theory are found to be in good agreement with the particle simulations for both bi-streaming and bump-on-tail instabilities. At the nonlinear saturation, 70% of the electrons are trapped inside the potential well for the drift velocity being 20 times of the thermal velocity and the pρ{sup −γ} value is significantly increased. Effects of ion to electron mass ratio on the linear fluid theory and nonlinear simulations are also examined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Bent crystal spectrometer for both frequency and wavenumber resolved x-ray scattering at a seeded free-electron laser

We present a cylindrically curved GaAs x-ray spectrometer with energy resolution ΔE/E = 1.1 × 10{sup −4} and wave-number resolution of Δk/k = 3 × 10{sup −3}, allowing plasmon scattering at the resolution limits of the Linac Coherent Light Source (LCLS) x-ray free-electron laser. It spans scattering wavenumbers of 3.6 to 5.2/Å in 100 separate bins, with only 0.34% wavenumber blurring. The dispersion of 0.418 eV/13.5 μm agrees with predictions within 1.3%. The reflection homogeneity over the entire wavenumber range was measured and used to normalize the amplitude of scattering spectra. The proposed spectrometer is superior to a mosaic highly annealed pyrolytic graphite spectrometer when the energy resolution needs to be comparable to the LCLS seeded bandwidth of 1 eV and a significant range of wavenumbers must be covered in one exposure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Self-focusing of an intense laser pulse interacting with a periodic lattice of metallic nanoparticle

The motivation for the present work is the study of self-focusing of an intense laser beam propagating through a periodic array of metallic nanoparticle. Using a perturbative method, a wave equation describing the nonlinear interaction of a laser beam with nanoparticles is derived. Evolution of laser spot size with the Gaussian profile for the circular and linear polarizations is considered. It is found that, in the same intensity, the linear polarization in a special interval of frequency resonantly acts better than the circular one.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Status and future plans for C 3 R&D

C 3 is an opportunity to realize an e + e - collider for the study of the Higgs boson at √s = 250 GeV, with a well defined upgrade path to 550 GeV while staying on the same short facility footprint. C 3 is based on a fundamentally new approach to normal conducting linear accelerators that achieves both high gradient and high efficiency at relatively low cost. Given the advanced state of linear collider designs, the key system that requires technical maturation for C 3 is the main linac. This paper presents the staged approach towards a facility to demonstrate C 3 technology with both Direct (source and main linac) and Parallel (beam delivery, damping ring, ancillary component) R&D. The primary goal of the C 3 Demonstration R&D Plan is to reduce technical and cost risk by building and operating the key components of C 3 at an adequate scale. This R&D plan starts with the engineering design, and demonstration of one cryomodule and will culminate in the construction of a 3 cryomodule linac with pre-production prototypes. This R&D program would also demonstrate the linac rf fundamentals including achievable gradient and gradient stability over a full electron bunch train and breakdown rates. It will also investigate beam dynamics including energy spread, wakefields, and emittance growth. This work will be critical to confirm the suitability of the C 3 beam parameters for the physics reach and detector performance in preparation for a Conceptual Design Report (CDR), as well as for follow-on technology development and industrialization. The C 3 Demonstration R&D Plan will open up significant new scientific and technical opportunities based on development of high-gradient and high-efficiency accelerator technology. It will push this technology to operate both at the GeV scale and mature the technology to be reliable and provide high-brightness electron beams. The timeline for progressing with C 3 technology development will be governed by practical limitations on both the technical progress and resource availability. It consists of four stages: Stage 0) Ongoing fundamental R&D on structure prototypes, damping and vibrations. Stage 1) Advancing the engineering maturity of the design and developing start-to-end simulations including space-charge and wakefield effects. This stage will include testing of strucutres operating at cryogenic temperatures. Beam tests would be performed with high beam current to test full beam loading. Stage 2) Production and testing of the first cryomodule at cryogenic temperatures. This would provide sufficient experimental data to compile a CDR and it is anticipated for Stage 2 to last 3 years and to culminate with the transport of photo-electrons through the first cryomodule. Stage 3) Updates to the engineering design of the cryomodules, production of the second and third cryomodule and their installation. Lower charge and lower emittance beams will be used to investigate emittance growth. The successful full demonstration of the 3 cryomodules to deliver up to a 3 GeV beam and achieve the C 3 five gradient will allow a comprehensive and robust evaluation of the technical design of C 3 as well as mitigate technical, schedule, and cost risks required to proceed with a Technical Design Report (TDR).

radiation hardened magnets↗

WE-G-18A-04: 3D Dictionary Learning Based Statistical Iterative Reconstruction for Low-Dose Cone Beam CT Imaging

Purpose: To develop a 3D dictionary learning based statistical reconstruction algorithm on graphic processing units (GPU), to improve the quality of low-dose cone beam CT (CBCT) imaging with high efficiency. Methods: A 3D dictionary containing 256 small volumes (atoms) of 3x3x3 voxels was trained from a high quality volume image. During reconstruction, we utilized a Cholesky decomposition based orthogonal matching pursuit algorithm to find a sparse representation on this dictionary basis of each patch in the reconstructed image, in order to regularize the image quality. To accelerate the time-consuming sparse coding in the 3D case, we implemented our algorithm in a parallel fashion by taking advantage of the tremendous computational power of GPU. Evaluations are performed based on a head-neck patient case. FDK reconstruction with full dataset of 364 projections is used as the reference. We compared the proposed 3D dictionary learning based method with a tight frame (TF) based one using a subset data of 121 projections. The image qualities under different resolutions in z-direction, with or without statistical weighting are also studied. Results: Compared to the TF-based CBCT reconstruction, our experiments indicated that 3D dictionary learning based CBCT reconstruction is able to recover finer structures, to remove more streaking artifacts, and is less susceptible to blocky artifacts. It is also observed that statistical reconstruction approach is sensitive to inconsistency between the forward and backward projection operations in parallel computing. Using high a spatial resolution along z direction helps improving the algorithm robustness. Conclusion: 3D dictionary learning based CBCT reconstruction algorithm is able to sense the structural information while suppressing noise, and hence to achieve high quality reconstruction. The GPU realization of the whole algorithm offers a significant efficiency enhancement, making this algorithm more feasible for potential clinical application. A high zresolution is preferred to stabilize statistical iterative reconstruction. This work was supported in part by NIH(1R01CA154747-01), NSFC((No. 61172163), Research Fund for the Doctoral Program of Higher Education of China (No. 20110201110011), China Scholarship Council.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SU-F-T-318: Sensitivity and Stability of OSLDs with Filled Deep Electron/hole Traps Under Pre-Irradiation and Bleaching Conditions

Purpose: This work evaluated the characteristics of optically stimulated luminescence dosimeters (OSLDs) with fully filled deep electron/hole traps (OSLDfull) with the bleaching conditions according to the accumulated dose. Methods: The OSLDs were first pre-irradiated with a Co-60 gamma ray at more than 5 kGy, so as to fill the deep electron and hole traps. Using a 6-MV beam, the OSLDfull characteristics were investigated in terms of the full bleaching, fading, dose linearity, and dose sensitivity obtained in response to the accumulated dose values. To facilitate a comparison of the dose sensitivity, OSLDs with un-filled deep electron/hole traps (OSLDempty) were investigated in the same manner. A long-pass filter was used to exclude bleaching-source wavelengths of less than 520 nm. Various bleaching time and wavelength combinations were used in order to determine the optimal bleaching conditions for the OSLD full. Results: The fading for the OSLDfull exhibited stable signals after 8 min, for both 1- and 10-Gy. For 4-h bleaching time and an unfiltered bleaching device, the supralinear index values for the OSLDfull were 1.003, 1.002, 0.999, and 1.001 for doses of 2, 4, 7, and 10 Gy, respectively. For a 65-Gy accumulated dose with a 5-Gy fraction, no variation in dose sensitivity was obtained for the OSLDfull, within a standard deviation of 0.85%, whereas the OSLDempty dose sensitivity decreased by approximately 2.3% per 10 Gy. The filtered bleaching device yielded a highly stable sensitivity for OSLDfull, independent of bleaching time and within a standard deviation of 0.71%, whereas the OSLDempty dose sensitivity decreased by approximately 4.2% per 10 Gy for an accumulated dose of 25 Gy with a 5-Gy fraction. Conclusion: Under the bleaching conditions determined in this study, clinical dosimetry with OSLDfull is highly stable, having an accuracy of 1% with no change in dose sensitivity or linearity at clinical doses. This work was supported by a National Research Foundation of Korea (NRF) grant, funded by the Korea government (MISP) (No. 2014M2B2A4031164), and by the Korea Health Technology R&D Project through the Korea Health Industry Development Institute (KHIDI), funded by the Ministry of Health & Welfare, Republic of Korea (HI14C3459).

60 APPLIED LIFE SCIENCES↗

Observation of quasi-coherent edge fluctuations in Ohmic plasmas on NSTX

A quasi-coherent mode with frequency f = 40 kHz is observed in Ohmic plasmas in NSTX with the gas puff imaging diagnostic (GPI). This mode is located predominantly just inside the separatrix, with a maximum fluctuation amplitude similar to that of the broadband turbulence in the same frequency range. The quasi-coherent mode has a poloidal wavelength 16 cm and a poloidal velocity 49 km/s in the electron diamagnetic direction, which are similar to the characteristics expected from a linear drift-wave like mode in the edge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Initial conditions for simulations of beam physics in linear induction accelerators

Flash radiography of hydrodynamic experiments driven by high explosives is a well-known diagnostic technique in use at many laboratories. At Los Alamos, the DualAxis Radiographic Hydrodynamic Test (DARHT) facility two linear induction electron accelerators (LIAs) make the bremsstrahlung radiographic source spots for point projection radiographs from orthogonal views. A new LIA, called Scorpius, is presently under development to advance this technology. To better understand electron-beam physics in these LIAs, numerical simulations are frequently performed with the objective of improving the radiography. At Los Alamos we frequently use the TRAK ray-trace and LSP particle-in-cell (PIC) codes to simulate the injector, and the XTR and LAMDA envelope/centroid codes along with LSP to simulate transport of the accelerated beam through the LIAs. The LIA simulations need the injected beam parameters as initial conditions for calculating beam transport and stability. The determination of these initial conditions is the topic of this note.

43 PARTICLE ACCELERATORS↗

Correct Initial Conditions for Simulations of Beam Physics in Linear Induction Accelerators

Flash radiography of hydrodynamic experiments driven by high explosives is a well-known diagnostic technique in use at many laboratories. At Los Alamos, the Dual Axis Radiographic Hydrodynamic Test (DARHT) facility two linear induction electron accelerators (LIAs) make the bremsstrahlung radiographic source spots for point projection radiographs from orthogonal views. A new LIA, called Scorpius, is presently under development to advance this technology. To better understand electron-beam physics in these LIAs, numerical simulations are frequently performed with the objective of improving the radiography. At Los Alamos we frequently use the TRAK ray-trace and LSP particle-in-cell (PIC) codes to simulate the injector, and the XTR and LAMDA envelope/centroid codes along with LSP to simulate transport of the accelerated beam through the LIAs. The LIA simulations need the injected beam parameters as initial conditions for calculating beam transport and stability. The determination of these initial conditions is the topic of this note.

43 PARTICLE ACCELERATORS↗

Verification of Spent Fuel Inside Dry Storage Casks by Cask Top Fast Neutron Mapping (FY2023 Mid-Year Report)

This project is developing a prototype scanner array verification system for detection of missing fuel assemblies in spent-fuel storage casks. The prototype consists of six fast-neutron scintillator detectors mounted to a linear actuator frame that is placed on the top of a spent fuel cask to scan across all fuel assembly positions. The scanner array was assembled and tested at LLNL in FY2022. A field test schedule has been requested at the Idaho National Laboratory (INL) Cask Farm site for FY2023. Note that the Cask Farm contractor determines this scheduling and not INL directly. Further system automation will be designed and implemented with the goal of obtaining a level of system operation that meets IAEA needs. This includes integration of the scanner array and data-acquisition control software into a single interface for operator use. In addition, commercial operators and the IAEA may have special requirements for portability, shipping, lifting, and installation. Prior to the Field Test at INL, the system will be operated at LLNL to exercise lifting procedure and linear actuators, monitor stability of detector energy and pulse-shape discrimination calibration, and test system software integration efforts. Following the Field Test, we will present results and discuss the technology with the IAEA. We will incorporate additional improvements to the system based on lessons learned from the field test and feedback from the IAEA. If successful, the technology can be transferred to the IAEA or other stakeholders for assessment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Free-piston Stirling engine conceptual design and technologies for space power, phase 1

As part of the SP-100 program, a phase 1 effort to design a free-piston Stirling engine (FPSE) for a space dynamic power conversion system was completed. SP-100 is a combined DOD/DOE/NASA program to develop nuclear power for space. This work was completed in the initial phases of the SP-100 program prior to the power conversion concept selection for the Ground Engineering System (GES). Stirling engine technology development as a growth option for SP-100 is continuing after this phase 1 effort. Following a review of various engine concepts, a single-cylinder engine with a linear alternator was selected for the remainder of the study. The relationships of specific mass and efficiency versus temperature ratio were determined for a power output of 25 kWe. This parametric study was done for a temperature ratio range of 1.5 to 2.0 and for hot-end temperatures of 875 K and 1075 K. A conceptual design of a 1080 K FPSE with a linear alternator producing 25 kWe output was completed. This was a single-cylinder engine designed for a 62,000 hour life and a temperature ratio of 2.0. The heat transport systems were pumped liquid-metal loops on both the hot and cold ends. These specifications were selected to match the SP-100 power system designs that were being evaluated at that time. The hot end of the engine used both refractory and superalloy materials; the hot-end pressure vessel featured an insulated design that allowed use of the superalloy material. The design was supported by the hardware demonstration of two of the component concepts - the hydrodynamic gas bearing for the displacer and the dynamic balance system. The hydrodynamic gas bearing was demonstrated on a test rig. The dynamic balance system was tested on the 1 kW RE-1000 engine at NASA Lewis.

Penswick, L. Barry↗

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys, and superlattices: Theoretical study of Cu/graphite bonding

The goals of the research were to provide a fundamental science basis for why the bonding of Cu to graphite is weak, to critically evaluate the previous analysis of the wetting studies with particular regard to the values used for the surface energies of Cu and graphite, and to make recommendations for future experiments or other studies which could advance the understanding and solution of this technological problem. First principles electronic structure calculations were used to study the problem. These are based on density functional theory in the local density approximation and the use of the linear muffin-tin orbital band structure method. Calculations were performed for graphite monolayers, single crystal graphite with the hexagonal AB stacking, bulk Cu, Cu(111) surface, and Cu/graphite superlattices. The study is limited to the basal plane of graphite because this is the graphite plane exposed to Cu and graphite surface energies and combined with the measured contact angles to evaluate the experimental adhesion energy.

Lambrecht, Walter R. L.↗

Achromatic Focal Plane Mask for Exoplanet Imaging Coronagraphy

Recent advances in coronagraph technologies for exoplanet imaging have achieved contrasts close to 1e10 at 4 lambda/D and 1e-9 at 2 lambda/D in monochromatic light. A remaining technological challenge is to achieve high contrast in broadband light; a challenge that is largely limited by chromaticity of the focal plane mask. The size of a star image scales linearly with wavelength. Focal plane masks are typically the same size at all wavelengths, and must be sized for the longest wavelength in the observational band to avoid starlight leakage. However, this oversized mask blocks useful discovery space from the shorter wavelengths. We present here the design, development, and testing of an achromatic focal plane mask based on the concept of optical filtering by a diffractive optical element (DOE). The mask consists of an array of DOE cells, the combination of which functions as a wavelength filter with any desired amplitude and phase transmission. The effective size of the mask scales nearly linearly with wavelength, and allows significant improvement in the inner working angle of the coronagraph at shorter wavelengths. The design is applicable to almost any coronagraph configuration, and enables operation in a wider band of wavelengths than would otherwise be possible. We include initial results from a laboratory demonstration of the mask with the Phase Induced Amplitude Apodization coronagraph.

Achromatic↗

Incremental States for Precise On-Orbit Relative Knowledge in Formation Flight

High precision and close proximity formation flight is an enabling technology for future space missions and requires an on-board relative navigation capability that is accurate to the mm-level and robust to formation parameters. Common estimation techniques linearize the entire formation about one spacecraft’s position, resulting in degraded accuracy due to linearization errors when separation distances become large. Additionally, methods which decouple absolute and relative state estimates usually require ad-hoc methods to incorporate the estimates together. This work discusses an alternative ”incremental” formulation of the relative navigation problem which is in variant to formation size, robust to coupling between absolute and relative dynamics, and can undergo similarity transformations to smoothly incorporate either absolute or relative information without numerical issues. A specific example of this architecture is presented in the context of formation navigation using Carrier-Differential Global Positioning System measurements, and is compared to a traditional leader-linearized filter. In the presence of accurate measurements, the incremental architecture is shown to reduce linearization errors and mean estimate errors by up to three orders of magnitude without the incorporation of new sensor information.

Seubert, Carl↗

Goniometric and Polarized Imaging Spectroscopic Lab Measurements ofSpacecraft Materials

To better characterize the spectral response of common spacecraft materials, the following laboratory measurements are presented to support the Space Situational Awareness community in the analysis of remotely sensed observational data. Of interest is classifying material reflective properties using spectral bidirectional reflectance distribution function (BRDF) data and spatially resolved polarized imaging spectroscopy, allowing laboratory data to be applicable to ground-based optical telescope observations. The team acquired a typical CubeSat solar panel and a sample of multi-layer insulation commonly used on spacecraft for initial measurements. The data were collected at the Goniometer of the Rochester Institute of Technology (GRIT) laboratory with a field and laboratory goniometer housing two Analytical Spectral Device (ASD) spectrometers and a Headwall micro-Hyperspec E-Series imaging spectrometer with an adjustable linear polarizer. The goniometer provides spectral reflectance over a broad spectral range from 350-2500 nm at 1 nm spacing with 3 nm spectral resolution in the visible and near infrared and 8 nm in the shortwave infrared. The Headwall imager covers a spectral range from 400-1000 nm with 1.6 nm spectral resolution. We present the results from these initial measurements that show highly reflective regions at various locations in the angular domain for both materials. In addition, the solar cell spectra exhibited strong interference effects typically observed with thin films. Our team is pursuing a variety of typical solar cells to assess variations in product type. The spatially resolved polarization ratio maps show variability across the materials due to surface structure and varying material composition. Based on these results, we outline a plan for simulating spectral radiance light curves of the materials in various orbital configurations as they would be measured from ground- based telescopes for a clear observing sky during twilight. The paper will also present a plan for expanding ours of interest to determine if the results presented are unique to these samples and to categorize the spectral response for different material classes.

Chris H. Lee↗

Radiography Capabilities for Matter-Radiation Interactions in Extremes

The Matter-Radiation Interactions in Extremes (MaRIE) experimental facility will be used to discover and design the advanced materials needed to meet 21st century national security and energy security challenges. This new facility will provide the new tools scientists need to develop next-generation materials that will perform predictably and on-demand for currently unattainable lifetimes in extreme environments. The MaRIE facility is based on upgrades to the existing LANSCE 800-MeV proton linac and a new 12-GeV electron linac and associated X-ray FEL to provide simultaneous multiple probe beams, and new experimental areas. In addition to the high-energy photon probe beam, both electron and proton radiography capabilities will be available at the MaRIE facility. Recently, detailed radiography system studies have been performed to develop conceptual layouts of high-magnification electron and proton radiography systems that can meet the experimental requirements for the expected first experiments to be performed at the facility. A description of the radiography systems, their performance requirements, and a proposed facility layout are presented.

43 PARTICLE ACCELERATORS↗