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At least 595 records · Page 33

Procedure for the Computational Models created for the DOE/NRC Collaboration for Criticality Safety Support for Commercial-Scale HALEU Fuel Cycles Project (DNCSH)

This procedure outlines the application models developed as part of the US Department of Energy (DOE) and Nuclear Regulatory Commission (NRC) collaboration for criticality safety support for commercial scale HALEU fuel cycle and transportation (DNCSH) project, an effort authorized by the US Congress. The project is a joint effort among the DOE, NRC, numerous national laboratories, and private enterprises with project management from Oak Ridge National Laboratory.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Quantum Key Distribution for Critical Infrastructures: Towards Cyber-Physical Security for Hydropower and Dams

Hydropower facilities are often remotely monitored or controlled from a centralized remote control room. Additionally, major component manufacturers monitor the performance of installed components, increasingly via public communication infrastructures. While these communications enable efficiencies and increased reliability, they also expand the cyber-attack surface. Communications may use the internet to remote control a facility’s control systems, or it may involve sending control commands over a network from a control room to a machine. The content could be encrypted and decrypted using a public key to protect the communicated information. These cryptographic encoding and decoding schemes become vulnerable as more advances are made in computer technologies, such as quantum computing. In contrast, quantum key distribution (QKD) and other quantum cryptographic protocols are not based upon a computational problem, and offer an alternative to symmetric cryptography in some scenarios. Although the underlying mechanism of quantum cryptogrpahic protocols such as QKD ensure that any attempt by an adversary to observe the quantum part of the protocol will result in a detectable signature as an increased error rate, potentially even preventing key generation, it serves as a warning for further investigation. In QKD, when the error rate is low enough and enough photons have been detected, a shared private key can be generated known only to the sender and receiver. We describe how this novel technology and its several modalities could benefit the critical infrastructures of dams or hydropower facilities. The presented discussions may be viewed as a precursor to a quantum cybersecurity roadmap for the identification of relevant threats and mitigation.

97 MATHEMATICS AND COMPUTING↗

A computational approach to complex junctions and interfaces

Molecular- and nano- junctions, surfaces, interfaces, and interfacial processes have been the subjects of this DOE supported program for about 20 years. We have investigated electronic and magnetic structure, spin-dependent charge transport, and emerging phenomena at surfaces and interfaces in a number of physical systems ranging from nano-clusters, to nanowires, to two-dimensional (2D) crystals and their interactions, to bulk matter. Eighty-four refereed papers were published [1-84], with a majority effort from the group led by the PI, and over a hundred presentations were made at international conferences. We use first-principles methods in the framework of density functional theory in conjunction with nano-equilibrium Green function techniques, semi-empirical Boltzmann transport theory, tight-binding models, and the Hubbard model and many-body wavefunction approaches. In pursuing our scientific goals, we have also developed a number of computational algorithms and computational packages.

2D materials↗

Imaging a Free-Geometry Magma Reservoir Using FEM-Based Linear Inverse Modeling of InSAR Data: Application to Rabaul Caldera, Papua New Guinea

We test an innovative inversion scheme using Green’s functions from an array of pressure sources embedded in finite-element method (FEM) models to image, without assuming an a-priori geometry, the composite and complex shape of a volcano deformation source. We invert interferometric synthetic aperture radar (InSAR) data to estimate the pressurization and shape of the magma reservoir of Rabaul caldera, Papua New Guinea. The results image the extended shallow magmatic system responsible for a broad and long-term subsidence of the caldera between 2007 February and 2010 December. Elastic FEM solutions are integrated into the regularized linear inversion of InSAR data of volcano surface displacements in order to obtain a 3-D image of the source of deformation. The Green’s function matrix is constructed from a library of forward line-of-sight displacement solutions for a grid of cubic elementary deformation sources. Each source is sequentially generated by removing the corresponding cubic elements from a common meshed domain and simulating the injection of a fluid mass flux into the cavity, which results in a pressurization and volumetric change of the fluidfilled cavity. The use of a single mesh for the generation of all FEM models avoids the computationally expensive process of non-linear inversion and remeshing a variable geometry domain. Without assuming an a-priori source geometry other than the configuration of the 3-D grid that generates the library of Green’s functions, the geodetic data dictate the geometry of the magma reservoir as a 3-D distribution of pressure (or flux of magma) within the source array. The inversion of InSAR data of Rabaul caldera shows a distribution of interconnected sources forming an amorphous, shallow magmatic system elongated under two opposite sides of the caldera. The marginal areas at the sides of the imaged magmatic system are the possible feeding reservoirs of the ongoing Tavurvur volcano eruption of andesitic products on the east side and of the past Vulcan volcano eruptions of more evolved materials on the west side. The interconnection and spatial distributions of sources correspond to the petrography of the volcanic products described in the literature and to the dynamics of the single and twin eruptions that characterize the caldera. The ability to image the complex geometry of deformation sources in both space and time can improve our ability to monitor active volcanoes, widen our understanding of the dynamics of active volcanic systems and improve the predictions of eruptions.

Inverse theory↗

Time-dependent integral transport in one-dimensional infinite media using dimensionless variables and the reduced collision formulation

A new method for calculating time-dependent integral neutron transport single collision fluxes has been developed for one-dimensional infinite media problems using dimensionless variables and the reduced collision formulation. By transforming the integral scalar flux equation into dimensionless variables, one may immediately integrate over the time domain and reduce the problem complexity to integrations strictly over the spatial domain, significantly reducing the computational work required to obtain a solution. The results have been compared to published benchmark solutions for validation. Further, reformulating the scalar flux as a Green’s function has allowed for the determination of an analytical expression for the relative error of any collision level scalar flux to the summed scalar flux. This provides the absolute number of collisions required for convergence at any given mean free time, using previous work in one-dimensional Cartesian transport and derived work herein for the one-dimensional spherical transport.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Bias-dependent local structure of water molecules at a metallic interface

Understanding the local structure of water at the interfaces of metallic electrodes is a key issue in aqueous-based electrochemistry. Nevertheless a realistic simulation of such a setup is challenging, particularly when the electrodes are maintained at different potentials. To correctly compute the effect of an external bias potential applied to truly semi-infinite surfaces, we combine Density Functional Theory (DFT) and Non-Equilibrium Green’s Function (NEGF) methods. This framework allows for the out-of-equilibrium calculation of forces and dynamics, and directly correlates to the chemical potential of the electrodes, which is introduced experimentally. In this work, we apply this methodology to study the electronic properties and atomic forces of a water molecule at the interface of a gold surface. We find that the water molecule tends to align its dipole moment with the electric field, and it is either repelled or attracted to the metal depending on the sign and magnitude of the applied bias, in an asymmetric fashion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Land Use and Mapping

From the standpoint of technology, the most encouraging thing about ERTS has been the level of land-use identification. Land-use detail has exceeded the expectations of the Interagency Steering Committee and the requirements of land-use classification proposed by the Department of Interior. Whereas in the latter instance it was anticipated that only nine classes of land use would probably be identifiable, in fact some 14 to 18 classes have been identified. The success in the level of land-use identification results primarily from the various attributes of the ERTS system. These include the ability to provide repetitive coverage, and in particular seasonal coverage; the ability to image in four bands of the electromagnetic spectrum (green, red, and two near-infrared), which allows for manipulation of various combinations of bands; and the provision by the ERTS system of computer-compatible tapes for machine processing of data. Furthermore, the resolution of ERTS imagery has been better than expected. Although there is some question as to its exact resolving power, it is safe to say objects as small as 100 meters (300 feet) in diameter have been identified. Linear features as narrow as 16 meters (50 feet) can be detected (Figure 1).

Lindgren, D. T.↗

An analysis of Milwaukee county land use

The identification and classification of urban and suburban phenomena through analysis of remotely-acquired sensor data can provide information of great potential value to many regional analysts. Such classifications, particularly those using spectral data obtained from satellites such as the first Earth Resources Technology Satellite (ERTS-1) orbited by NASA, allow rapid frequent and accurate general land use inventories that are of value in many types of spatial analyses. In this study, Milwaukee County, Wisconsin was classified into several broad land use categories on the basis of computer analysis of four bands of ERTS spectral data (ERTS Frame Number E1017-16093). Categories identified were: (1) road-central business district, (2) grass (green vegetation), (3) suburban, (4) wooded suburb, (5) heavy industry, (6) inner city, and (7) water. Overall, 90 percent accuracy was attained in classification of these urban land use categories.

Todd, W. J.↗

Least squares restoration of multichannel images

Multichannel restoration using both within- and between-channel deterministic information is considered. A multichannel image is a set of image planes that exhibit cross-plane similarity. Existing optimal restoration filters for single-plane images yield suboptimal results when applied to multichannel images, since between-channel information is not utilized. Multichannel least squares restoration filters are developed using the set theoretic and the constrained optimization approaches. A geometric interpretation of the estimates of both filters is given. Color images (three-channel imagery with red, green, and blue components) are considered. Constraints that capture the within- and between-channel properties of color images are developed. Issues associated with the computation of the two estimates are addressed. A spatially adaptive, multichannel least squares filter that utilizes local within- and between-channel image properties is proposed. Experiments using color images are described.

Galatsanos, Nikolas P.↗

Absolute Measurement of Tilts via Fourier Analysis of Interferograms

The Fourier method of interferogram analysis requires the introduction of a constant tilt into the inteferogram to serve as a 'carrier signal' for information on the figure of the surface under test. This tilt is usually removed in the first steps of analysis and ignored thereafter. However, in the problem of aligning optical components and systems, knowledge of part orientation is crucial to proper instrument performance. This paper outlines an algorithm which uses the normally ignored carrier signal in Fourier analysis to compute an absolute tilt (orientation) of the test surface. We also provide a brief outline of how this technique, incorporated in a rotating Twyman-Green interferometer, can be used in alignment and metrology of optical systems.

Toland, Ronald W.↗

Absolute Measurement of Tilts via Fourier Analysis of Interferograms

The Fourier method of interferogram analysis requires the introduction of a constant tilt into the interferogram to serve as a carrier signal for information on the figure of the surface under test. This tilt is usually removed in the first steps of analysis and ignored thereafter. However, in the problem of aligning optical components and systems, knowledge of part orientation is crucial to proper instrument performance. This paper outlines an algorithm which uses the normally ignored carrier signal in Fourier analysis to compute an absolute tilt (orientation) of the test surface. We also provide a brief outline of how this technique, incorporated in a rotating Twyman-Green interferometer, can be used in alignment and metrology of optical systems.

Toland, Ronald W.↗

Imaging the Complex Geometry of a Magma Reservoir Using Fem-Based Linear Inverse Modeling of InSAR Data: Application to Rabaul Caldera, Papua New Guinea

We test an innovative inversion scheme using Green’s functions from an array of pressure sources embedded in finite-element method (FEM) models to image, without assuming an a-priori geometry, the composite and complex shape of a volcano deformation source. We invert interferometric synthetic aperture radar (InSAR) data to estimate the pressurization and shape of the magma reservoir of Rabaul caldera, Papua New Guinea. The results image the extended shallow magmatic system responsible for a broad and long-term subsidence of the caldera between 2007 February and 2010 December. Elastic FEM solutions are integrated into the regularized linear inversion of InSAR data of volcano surface displacements in order to obtain a 3-D image of the source of deformation. The Green’s function matrix is constructed from a library of forward line-of-sight displacement solutions for a grid of cubic elementary deformation sources. Each source is sequentially generated by removing the corresponding cubic elements from a common meshed domain and simulating the injection of a fluid mass flux into the cavity, which results in a pressurization and volumetric change of the fluid-filled cavity. The use of a single mesh for the generation of all FEM models avoids the computationally expensive process of non-linear inversion and remeshing a variable geometry domain. Without assuming an a-priori source geometry other than the configuration of the 3-D grid that generates the library of Green’s functions, the geodetic data dictate the geometry of the magma reservoir as a 3-D distribution of pressure (or flux of magma) within the source array. The inversion of InSAR data of Rabaul caldera shows a distribution of interconnected sources forming an amorphous, shallow magmatic system elongated under two opposite sides of the caldera. The marginal areas at the sides of the imaged magmatic system are the possible feeding reservoirs of the ongoing Tavurvur volcano eruption of andesitic products on the east side and of the past Vulcan volcano eruptions of more evolved materials on the west side. The interconnection and spatial distributions of sources correspond to the petrography of the volcanic products described in the literature and to the dynamics of the single and twin eruptions that characterize the caldera. The ability to image the complex geometry of deformation sources in both space and time can improve our ability to monitor active volcanoes, widen our understanding of the dynamics of active volcanic systems and improve the predictions of eruptions.

Inverse theory↗

A cradle-to-gate based life cycle impact assessment comparing the KBFw EFB hybrid reinforced poly hydroxybutyrate biocomposite and common petroleum-based composites as building materials

Highlights: • Substitute biocomposite with the common petroleum-based composite is proposed. • This substitution declines near 30% in Human Health, Ecosystems, and resources. • Biocomposite as next generation of sustainable & green building materials could be Considered. - Abstract: Aligning the sustainability in construction process can be achieved through material selection process with low impact on environment and human health. Today, biocomposite materials are investigated and developed to replace with none, and less eco-friendly materials used in the construction industry leading to emergence of next generation of sustainable and green building materials. This paper aims to develop a model of fully hybrid bio-based biocomposite based on Life Cycle Assessment (LCA), and comparing it with fully petroleum-based composite, which are common conventional building materials. The methodology framework of this research is determined based on ISO 14040 and 14044. Also, the ReCiPe as the common method in SimaPro software is chosen for appraising and comparing LC impact assessment (LCIA). This research highlights the negative effect of these kinds of building materials with providing single scores coming from three gauges including Human Health, Ecosystems and resources. It is observed that substituting the biocomposite with the fully petroleum-based composite has led to a decline of about 30% in single score outcome. The significance of this research is related to important judgement information to policy makers and the prospective manufacturers in the commercialization phase of this new biocomposites as sustainable and green building materials.

54 ENVIRONMENTAL SCIENCES↗

Effect of cracks on creep rate. II.

Computed and experimental displacement distribution curves compared for anisotropic material concerning creep rate enhancement by small cracks

Green, W. V.↗

A Mariner 9 Atlas of the moons of Mars

During its active lifetime Mariner 9 obtained 32 high-resolution pictures of Phobos, and 9 of Deimos. The spacecraft orbit was adequate for about 80% complete coverage of Phobos. However, the coverage of the outer satellite was restricted to the Mars-facing side. The approaches used in processing the pictures are discussed. For each satellite picture a coordinate grid of the satellite was obtained with the aid of a computer.

Veverka, J.↗

Fast Dual Analog-to-Digital Converter

Unit delivers blocks of quadrature data to computer memory. Contains 105 integrated circuit packages in 19 by 3 1/2 inch (48.26 by 8.39 cm) rack mounted drawer with internal force air blower. Intended for synchronous sampling of quadrature pairs of data, samples with minimal skew (about 10 nanoseconds) using video-type high-speed sampling technology. Unit equipped for computer controlled self-testing. Originally developed for planetary radar data-acquisition system.

Wallis, D. E.↗

Static aeroelastic analysis of a three-dimensional generic wing

A continuation of research on the static aeroelastic analysis of a generic wing configuration is presented. Results of the study of the asymmetric oblique wing model developed by Rockwell International, in conjunction with the NASA Oblique Wing Research Aircraft Program, are reported. The capability to perform static aeroelastic analyses of an oblique wing at arbitrary skew positions is demonstrated by applying the MSC/NASTRAN static analysis scheme modified by the aerodynamic influence coefficient matrix created by the NASA Ames aerodynamic panel codes. The oblique wing is studied at two skew angles, and in particular, the capability to calculate 3-D thickness effects on the aerodynamic properties of the wing is investigated. The ability to model asymmetric wings in both subsonic and supersonic Mach numbers is shown. The aerodynamic influence coefficient matrix computed by the external programs is inserted in MSC/NASTRAN static aeroelasticity analysis run stream to compute the aeroelastic deformation and internal forces. Various aerodynamic coefficients of the oblique wing were computed for two Mach numbers, 0.7 and 1.4, and the angle of attach -5 through 15 deg.

Green, John A.↗

Development of a Boundary Layer Property Interpolation Tool in Support of Orbiter Return To Flight

A new tool was developed to predict the boundary layer quantities required by several physics-based predictive/analytic methods that assess damaged Orbiter tile. This new tool, the Boundary Layer Property Prediction (BLPROP) tool, supplies boundary layer values used in correlations that determine boundary layer transition onset and surface heating-rate augmentation/attenuation factors inside tile gouges (i.e. cavities). BLPROP interpolates through a database of computed solutions and provides boundary layer and wall data (delta, theta, Re(sub theta)/M(sub e), Re(sub theta)/M(sub e), Re(sub theta), P(sub w), and q(sub w)) based on user input surface location and free stream conditions. Surface locations are limited to the Orbiter s windward surface. Constructed using predictions from an inviscid w/boundary-layer method and benchmark viscous CFD, the computed database covers the hypersonic continuum flight regime based on two reference flight trajectories. First-order one-dimensional Lagrange interpolation accounts for Mach number and angle-of-attack variations, whereas non-dimensional normalization accounts for differences between the reference and input Reynolds number. Employing the same computational methods used to construct the database, solutions at other trajectory points taken from previous STS flights were computed: these results validate the BLPROP algorithm. Percentage differences between interpolated and computed values are presented and are used to establish the level of uncertainty of the new tool.

Greene, Francis A.↗