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At least 415 records · Page 23

Refinements for Bragg coherent X-ray diffraction imaging: electron backscatter diffraction alignment and strain field computation

Bragg coherent X-ray diffraction imaging (BCDI) allows the 3D measurement of lattice strain along the scattering vector for specific microcrystals. If at least three linearly independent reflections are measured, the 3D variation of the full lattice strain tensor within the microcrystal can be recovered. However, this requires knowledge of the crystal orientation, which is typically attained via estimates based on crystal geometry or synchrotron microbeam Laue diffraction measurements. Presented here is an alternative method to determine the crystal orientation for BCDI measurements using electron backscatter diffraction (EBSD) to align Fe–Ni and Co–Fe alloy microcrystals on three different substrates. The orientation matrix is calculated from EBSD Euler angles and compared with the orientation determined using microbeam Laue diffraction. The average angular mismatch between the orientation matrices is less than ∼6°, which is reasonable for the search for Bragg reflections. The use of an orientation matrix derived from EBSD is demonstrated to align and measure five reflections for a single Fe–Ni microcrystal via multi-reflection BCDI. Using this data set, a refined strain field computation based on the gradient of the complex exponential of the phase is developed. This approach is shown to increase accuracy, especially in the presence of dislocations. The results demonstrate the feasibility of using EBSD to pre-align BCDI samples and the application of more efficient approaches to determine the full lattice strain tensor with greater accuracy.

42 ENGINEERING↗

Determination of Optical Constants of in Bi from Reflectance Measurements

A fall in reflectance was noted from values obtained for a freshly cleaved sample to values obtained after periods of exposure of the surface to air. The decrease in reflectance with increased exposure time is attributed to formation of a surface layer insoluble in Freon or ethyl alcohol; it is assumed to be a tarnish layer. Computer processing was employed to calculate optical constants from reflectance data.

Martin, F. E.↗

A simple formulation of the delta-four-stream approximation for radiative transfer parameterizations

A systematic development of the delta-four-stream approximation for calculations of radiative fluxes in planetary atmosphere is presented. It is shown that an analytic solution for this approximation can be derived explicitly, with minimum computational effort for flux calculations. Relative accuracy checks for reflection, transmission, and absorption for numerous asymmetry factors, single-scattering albedos, optical depths, and solar zenith angles have been performed with respect to the 'exact' results computed from the adding method for radiative transfer. Overall, results from the delta-four-stream approximation yield relative accuracies within about 5 percent. This approximation is well suited to radiative transfer parameterizations involving flux and heating calculations in aerosol and cloudy atmospheres.

Liou, Kuo-Nan↗

Rapid Computational Identification of Therapeutic Targets for Pathogens

Biological threats continue to persist and evolve as an important challenge to national security. There are multiple ways in which novel viral pathogens could emerge to pose a serious threat to human health. This project developed a pathogen target identification tool that can rapidly respond to a novel or emerging viral biological threat. A set of computational tools were developed that provide detailed information on the newly sequenced genes, their protein products and the drug target sites for the proteins that are best suited for biological countermeasure development. Three key innovations were developed in the project. 1) Development of a new extensive database of protein pocket structures with structure-based search algorithms to rapidly link novel protein targets with the complete collection of previously experimentally solved protein structures. 2) A novel clustering pipeline was introduced to group matching structures and associated small-molecule binding ligands into a consensus protein pocket with the associated small-molecule chemotypes predicted to fit in the pocket site. The matching experimentally solved structures were used to inform the value of different target sites. 3) Where there are viral protein targets with pockets structurally matched to similar human proteins, a biological knowledge graph, which links molecular interactions with human disease, was used to further assess the potential negative impact of a viral protein target with similarities to human proteins that could have important off target side effects. In total, the project produced a new resource for rapid and detailed assessment of promising targets for countermeasures, reflecting the ongoing wet lab, clinical, and computational data being collected. These capabilities will improve the ability to respond to a biological threat in multiple domains.

59 BASIC BIOLOGICAL SCIENCES↗

Contactless Position Measurement System for Remote Alignment of Highly Reflective Objects

The Contactless Position Measurement System (CPMS) permits automatic alignment of highly-reflecting components that cannot or should not be touched by human hands, such as those used in SRF cavities. CPMS also has application during maintenance of fusion reactors, when the components in the reactor are radioactive. The length of time for which humans can handle the components in order to carry out maintenance or repairs is limited. We would like to measure the relative positions of such objects so we can bring them into alignment with motorized stages, thus eliminating the need for human contact. The CPMS is a computer vision system that measures the location of highly reflective components to within a fraction of a millimeter by finding the edges of silhouette images. This is done by placing a uniform, infrared backlight behind the components, and viewing each component with two low-aberration, infrared cameras. Each of these stereoscopic cameras are located within a coordinate system we set up with reference platforms, light sources, and survey cameras distributed around the perimeter of the string assembly room, or fusion reactor. We obtain stereoscopic silhouette images of each component, and we use these to determine the position of the component within our string assembly coordinate system. The CPMS combines the silhouette images with knowledge of the dimensions of the objects to obtain the relative positions of components in its field of view. These position measurements then allow us to mechanically maneuver the components into contact. Once we know where they are, we can move the components to where they are supposed to be with motorized stages or other mechanical means, check they are in the right place, and bolt them together. In Phase I, we built a prototype infrared backlights and cameras, tested it, wrote an analysis program to fit the images. At a range of 50 cm, we are able to measure the relative positions of two stainless steel flanges with an accuracy of 150 μm rms. The next steps are to test the analysis program with motorized stages, build a full-size prototype, and implement it in an cleanroom with SRF cavity assembly. This can be done in a cost effective way given the materials with which the system is designed. As Open Source Instruments achieved more in Phase I than anticipated, despite not receiving a Phase II SBIR grant, we hope to move forward with product development and sales with a testing partner.

43 PARTICLE ACCELERATORS↗

Sensor system that uses embedded optical fibers

Sensor systems including an interferometer system are disclosed herein. In a general embodiment, the sensor system includes an optical fiber that is embedded into a sample, where the optical fiber has a reflective tip. The optical fiber is optically coupled to a sensor and a detector of the laser interferometer system. The sensor system further includes a computing device or circuit that is configured to receive electrical signals generated by the detector. The laser source is configured to emit light, which is coupled into the optical fiber. The light travels through the optical fiber until the light reaches the reflective tip, where it is reflected back through the optical fiber. The detector is impacted by the reflected light, and generates an electrical signal based upon the reflected light. The computing device generates a value that is indicative of a behavior of the sample based upon the electrical signal.

Chavez, Marcus Alexander↗

Sum-of-Fractions Methodology for Actinides in Water- and Polyethylene-Moderated and -Reflected Systems

Sum-of-fractions is a method intended to make sure a subcritical margin for aqueous solutions and slurries of fissionable isotopes exists. The method indicates that a system is subcritical if the sum of the ratios of the mass of each isotope (in a mixture) to its individual minimum subcritical mass limit is less than or equal to one. Historically, the basis of the sum-of-fractions has been derived from allowances given in the American National Standards Institute (ANSI)/ American Nuclear Society (ANS)-8.15-1981. However, the allowance was removed in ANSI/ANS-8.15-2014 due to a lack of technical basis. A methodology was developed to assess the validity of using the sum-of-fractions for water- or polyethylene-moderated systems for the following nuclides: 232 U, 233 U, 234 U, 235 U, 237 Np, 236 Pu, 238 Pu, 239 Pu, 240 Pu, 241 Pu, 242 Pu, 241 Am, 242 m Am, 243 Am, 242 Cm, 243 Cm, 244 Cm, 245 Cm, 246 Cm, 247 Cm, 249 Cf, and 251 Cf. The methodology uses available benchmark data for mixtures of 233 U, 235 U, and 239 Pu to establish the calculational margin, and a mass limit reduction to establish the margin of subcriticality. Water- or polyethylene-moderated and -reflected mixtures containing the nuclides are evaluated with the code system, SCALE 6.2.4. Including the calculational margin, subcritical mass limits for each nuclide were computed for optimally water- or polyethylene-moderated and fully reflected systems. These masses were used to create nuclide mixtures in which the sum of the mass to subcritical mass limit ratios is one. The various nuclide mixtures were modeled over a range of moderation and demonstrate the keff does not exceed the calculational margin. For additional assurance of subcriticality, a significant mass reduction is applied to each computed minimum critical mass of the nuclides without adequate benchmark data consistent with the method in ANSI/ANS-8.15-2014.

07 ISOTOPE AND RADIATION SOURCES↗

Sum-of-Fractions Method

Sum-of-fractions is a method intended to make sure a subcritical margin for aqueous solutions and slurries of fissionable isotopes exists. The method indicates that a system is subcritical if the sum of the ratios of the mass of each isotope (in a mixture) to its individual minimum subcritical mass limit is less than or equal to one. Historically, the basis of the sum-of-fractions has been derived from allowances given in the American National Standards Institute (ANSI)/ American Nuclear Society (ANS)-8.15-1981. However, the allowance was removed in ANSI/ANS-8.15-2014 due to a lack of technical basis. A methodology was developed to assess the validity of using the sum-of-fractions for water- or polyethylene-moderated systems for the following nuclides: 232U, 233U, 234U, 235U, 237Np, 236Pu, 238Pu, 239Pu, 240Pu, 241Pu, 242Pu, 241Am, 242mAm, 243Am, 242Cm, 243Cm, 244Cm, 245Cm, 246Cm, 247Cm, 249Cf, and 251Cf. The methodology uses available benchmark data for mixtures of 233U, 235U, and 239Pu to establish the calculational margin, and a mass limit reduction to establish the margin of subcriticality. Water- or polyethylene-moderated and -reflected mixtures containing the nuclides are evaluated with the code system, SCALE 6.2.4. Including the calculational margin, subcritical mass limits for each nuclide were computed for optimally water- or polyethylene-moderated and fully reflected systems. These masses were used to create nuclide mixtures in which the sum of the mass to subcritical mass limit ratios is one. The various nuclide mixtures were modeled over a range of moderation and demonstrate the keff does not exceed the calculational margin. For additional assurance of subcriticality, a significant mass reduction is applied to each computed minimum critical mass of the nuclides without adequate benchmark data consistent with the method in ANSI/ANS-8.15-2014.

criticality safety, Actinide↗

Path-length distributions of photons diffusely reflected from a semi-infinite atmosphere.

Knowledge of the probability distribution of photon path lengths for diffuse reflection in the continuum from a planetary atmosphere greatly simplifies computation of the shape and strength of absorption lines formed under conditions of multiple scattering. Graphs of this probability distribution are presented for diffuse reflection from a semiinfinite conservative atmosphere for both isotropic and forward-directed scattering, and for several angles of incidence and reflection. Graphs showing distributions for the case of absorption in the continuum are also discussed. The distributions are obtained from an analytic expression for the path-length distribution for nth-order scattering and a tabulation of nth-order intensities. It is found that te shape of the probability distribution depends markedly on the degree of forward scattering due to the phase function. The results are compared with those obtained by a Monte Carlo computation of the sort which might be used if tabulated nth-order intensities were not available.

Appleby, J. F.↗

Memory-optimized shift operator alternating direction implicit finite difference time domain method for plasma

Through introducing the alternating direction implicit (ADI) technique and the memory-optimized algorithm to the shift operator (SO) finite difference time domain (FDTD) method, the memory-optimized SO-ADI FDTD for nonmagnetized collisional plasma is proposed and the corresponding formulae of the proposed method for programming are deduced. In order to further the computational efficiency, the iteration method rather than Gauss elimination method is employed to solve the equation set in the derivation of the formulae. Complicated transformations and convolutions are avoided in the proposed method compared with the Z transforms (ZT) ADI FDTD method and the piecewise linear JE recursive convolution (PLJERC) ADI FDTD method. The numerical dispersion of the SO-ADI FDTD method with different plasma frequencies and electron collision frequencies is analyzed and the appropriate ratio of grid size to the minimum wavelength is given. The accuracy of the proposed method is validated by the reflection coefficient test on a nonmagnetized collisional plasma sheet. The testing results show that the proposed method is advantageous for improving computational efficiency and saving computer memory. The reflection coefficient of a perfect electric conductor (PEC) sheet covered by multilayer plasma and the RCS of the objects coated by plasma are calculated by the proposed method and the simulation results are analyzed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Deformable subreflector computed by geometric optics

Using a Cassegrainian geometry, the 64-meter antenna with its distorted paraboloidal reflecting surface is forced to produce a uniform phase wavefront by a pathlength-compensating subreflector. First, the computed distortion vectors at the joints or nodes of the main reflector structure supporting the surface panels are best fitted to a paraboloid. Second, the resulting residual distortion errors are used to determine a compensating subreflector surface by ray tracing using geometric optics principles. Third, the totally corrected subreflector surface is defined by the normal directions and distances to the surface of the original symmetric hyperboloid for the purpose of evaluation. Finally, contour maps of distortions of the paraboloid reflector and the compensating subreflector are presented. A field-measured check of the subreflector in focused position as computed by the described methodology is also presented for the antenna position at horizon look with the geometry at 45 degrees elevation.

Katow, M. S.↗

In Pursuit of 2D Materials for Maximum Optical Response

Despite being only a few atoms thick, single-layer two-dimensional (2D) materials display strong electron–photon interactions that could be utilized in efficient light modulators on extreme subwavelength scales. In various applications involving light modulation and manipulation, materials with strong optical response at different wavelengths are required. Using qualitative analytical modeling and first-principles calculations, we determine the theoretical limit of the maximum optical response such as absorbance ($A$) and reflectance ($R$) in 2D materials and also conduct a computational survey to seek out those with best $A$ and $R$ in various frequency ranges, from mid-infrared to deep-ultraviolet. We find that 2D boron has broadband reflectance R > 99% for >100 layers, surpassing conventional thin films of bulk metals such as silver. Moreover, we identify 2D monolayer semiconductors with maximum response, for which we obtain quantitative estimates by calculating quasiparticle energies and accounting for excitonic effects by solving the Bethe–Salpeter equation. We found several monolayer semiconductors with absorbances ≳30% in different optical ranges, which are more than half of the maximum possible value, Alim = 1/2, for a freestanding 2D material. Our study predicts 2D materials which can potentially be used in ultrathin reflectors and absorbers for optoelectronic application in various frequency ranges.

36 MATERIALS SCIENCE↗

Analysis of partial-reflection data from the solar eclipse of 10 Jul. 1972

Partial-reflection data collected for the eclipse of July 10, 1972 as well as for July 9 and 11, 1972, are analyzed to determine eclipse effects on D-region electron densities. The partial-reflection experiment was set up to collect data using an on-line PDP-15 computer and DECtape storage. The electron-density profiles show good agreement with results from other eclipses. The partial-reflection programs were changed after the eclipse data collection to improve the operation of the partial-reflection system. These changes were mainly due to expanded computer hardware and have simplified the operations of the system considerably.

Bean, T. A.↗

Solving the Grid Optimization Competition Challenge 3 Problem

The Grid Optimization Competition Challenge 3 Problem posed a multiperiod security-constrained unit commitment problem with base-case AC power flow. The problem formulation includes binary unit commitment decisions, nonlinear AC power flow and balance, dispatchable loads, and linearized contingency real power flow, among other features. This talk will present a modified consensus ADMM algorithm, which splits the problem into mixed-integer linear and nonlinear components, as a heuristic solution method for this large-scale mixed integer nonlinear program. We will present some computational results from the competition for our implementation and reflect on the challenges of participating the grid optimization competition.

AC power flow↗

Random and systematic measurement errors in acoustic impedance as determined by the transmission line method

The effect of random and systematic errors associated with the measurement of normal incidence acoustic impedance in a zero-mean-flow environment was investigated by the transmission line method. The influence of random measurement errors in the reflection coefficients and pressure minima positions was investigated by computing fractional standard deviations of the normalized impedance. Both the standard techniques of random process theory and a simplified technique were used. Over a wavelength range of 68 to 10 cm random measurement errors in the reflection coefficients and pressure minima positions could be described adequately by normal probability distributions with standard deviations of 0.001 and 0.0098 cm, respectively. An error propagation technique based on the observed concentration of the probability density functions was found to give essentially the same results but with a computation time of about 1 percent of that required for the standard technique. The results suggest that careful experimental design reduces the effect of random measurement errors to insignificant levels for moderate ranges of test specimen impedance component magnitudes. Most of the observed random scatter can be attributed to lack of control by the mounting arrangement over mechanical boundary conditions of the test sample.

Parrott, T. L.↗

A Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMS-NIT): Part II. The cloudy-sky model

The Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMS-NIT) reported in Part I of this report is enhanced to include the requirements for cloudy-sky conditions. Surface radiances in 2002 narrow-wavelength bands from 0.28 to 4.0 um are analytically computed by solving the radiative transfer equation for five independent photon paths accounting for clear-sky absorption, Rayleigh scattering, and cloud absorption and scattering. The Simple Model of the Atmospheric Radiative Transfer of Sunshine (SMARTS) is used to show the optical thickness of the clear-sky atmosphere. Unlike Part I, which approximates the computation of aerosol scattering using the single-scattering phase function, the cloud transmittance and reflectance are efficiently retrieved from a comprehensive look-up table pre-computed by a 32-stream DIScrete Ordinates Radiative Transfer (DISORT) model for possible cloud conditions as well as solar and viewing geometries. A resolution assessment is performed to observe the optimal balance between the computational efficiency and accuracy in the development of the look-up table. Model simulations by DISORT and TMYSPEC are used to evaluate the performance of FARMS-NIT under cloudy-sky conditions. Compared to DISORT, FARMS-NIT yields 2-3% uncertainties on average, but it substantially reduces the computational time because of the independent computation of cloud properties and the implementation of the look-up table. In contrast to TMYSPEC, which uses successive steps to empirically compute plane-of-array (POA) irradiances and spectral irradiances, FARMS-NIT directly solves spectral radiances from the radiative transfer equation, which profoundly increases the accuracy in surface irradiances, especially over inclined photovoltaics (PV) panels.

14 SOLAR ENERGY↗

A Fast All-Sky Radiation Model for Solar Applications with Narrowband Irradiances on Tilted Surfaces (FARMS-NIT): Part II. The Cloudy-Sky Model

The Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMSNIT) reported in Part I of this study is enhanced to include the requirements for cloudy-sky conditions. Surface radiances in 2002 narrow-wavelength bands from 0.28 to 4.0 μm are analytically computed by solving the radiative transfer equation for five independent photon paths accounting for clear-sky absorption, Rayleigh scattering, and cloud absorption and scattering. The Simple Model of the Atmospheric Radiative Transfer of Sunshine (SMARTS) is used to provide the optical thickness of the clear-sky atmosphere. Unlike Part I, which approximates the computation of aerosol scattering using the single-scattering phase function, the cloud transmittance and reflectance are efficiently retrieved from a comprehensive look-up table pre-computed by a 32-stream DIScrete Ordinates Radiative Transfer (DISORT) model for possible cloud conditions as well as solar and viewing geometries. A resolution analysis is performed to assess the optimal balance between the computational efficiency and accuracy in the development of the look-up table. Model simulations by DISORT and TMYSPEC are used to evaluate the performance of FARMS-NIT under cloudy-sky conditions. Compared to DISORT, FARMS-NIT yields 2–3% uncertainties on average, but it substantially reduces the computational time because of the independent computation of cloud properties and the implementation of the look-up table. In contrast to TMYSPEC, which uses successive steps to empirically compute plane-of-array (POA) irradiances and spectral irradiances, FARMS-NIT directly solves spectral radiances from the radiative transfer equation, which profoundly increases the accuracy in surface irradiances, especially over inclined photovoltaics (PV) panels.

Xie, Yu↗

A method for the modelling of porous and solid wind tunnel walls in computational fluid dynamics codes

Porous wall wind tunnels have been used for several decades and have proven effective in reducing wall interference effects in both low speed and transonic testing. They allow for testing through Mach 1, reduce blockage effects and reduce shock wave reflections in the test section. Their usefulness in developing computational fluid dynamics (CFD) codes has been limited, however, by the difficulties associated with modelling the effect of a porous wall in CFD codes. Previous approaches to modelling porous wall effects have depended either upon a simplified linear boundary condition, which has proven inadequate, or upon detailed measurements of the normal velocity near the wall, which require extensive wind tunnel time. The current work was initiated in an effort to find a simple, accurate method of modelling a porous wall boundary condition in CFD codes. The development of such a method would allow data from porous wall wind tunnels to be used more readily in validating CFD codes. This would be beneficial when transonic validations are desired, or when large models are used to achieve high Reynolds numbers in testing. A computational and experimental study was undertaken to investigate a new method of modelling solid and porous wall boundary conditions in CFD codes. The method utilized experimental measurements at the walls to develop a flow field solution based on the method of singularities. This flow field solution was then imposed as a pressure boundary condition in a CFD simulation of the internal flow field. The effectiveness of this method in describing the effect of porosity changes on the wall was investigated. Also, the effectiveness of this method when only sparse experimental measurements were available has been investigated. The current work demonstrated this approach for low speed flows and compared the results with experimental data obtained from a heavily instrumented variable porosity test section. The approach developed was simple, computationally inexpensive, and did not require extensive or intrusive measurements of the boundary conditions during the wind tunnel test. It may be applied to both solid and porous wall wind tunnel tests.

Beutner, Thomas John↗