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At least 1,117 records · Page 62

A machine-learning framework for the simulation of nuclear deflection of Planet-Killer-Asteroids

Here, as detection capabilities in astronomy have dramatically improved over the last two decades, concerns over Planet-Killer-Asteroids (PKAs) have become widespread, with nuclear weapons being proposed to destroy or deflect asteroids that are on a short-term projected collision course with Earth. Two main mitigation strategies have been proposed: • Case 1: Break up an incoming asteroid into smaller pieces that will disperse widely, resulting in smaller-scale, less detrimental, Earth-impacts or • Case 2: Deflect an incoming asteroid trajectory to avoid collision altogether. While the two strategies are not mutually exclusive, deflection is a safer strategy, ideally by harnessing all of the released energy from a nuclear device to move the asteroid as a rigid body. However, this case may not be always possible, since the strength of the energy release may break up the asteroid. In this work, the dynamical response of a PKA to a series of ultra-high energy impulses, such as those generated by nuclear devices, is formulated. A rapid iterative Discrete Element Method (DEM) method is developed to describe the deflection and potential breakup of the PKA as a function of a material bonding strength parameter within the asteroid and the magnitude of the applied impulse. The use of DEM allows for fragmentation of the PKA and the ability to compute the trajectories and distribution of the resulting debris field. Finally, a machine-learning algorithm is then developed and combined with the DEM approach to optimize the pulsation strategy for maximum possible safety and success.

42 ENGINEERING↗

Orthorhombic Structures as Inorganic Halide Perovskite Models for High-Throughput DFT Investigations

Although high-symmetry Pm-3m space group cubic models are computationally efficient for high-throughput density functional theory (DFT) calculations of inorganic ternary (ABX 3 ) halide perovskites (HPs), they frequently predict band gaps (E g ) that disagree with experiment. Conversely, while low-symmetry cubic polymorphous networks (PN) comprised of 160 to 320 atoms incur significantly greater computational cost, they predict E g ’s that are more closely aligned with experiment. Here, in this study, we compare the DFT total energies and E g ’s predicted by four high-symmetry structure models (Pnma orthorhombic, R3m trigonal, P4/mbm tetragonal, and Pm-3m cubic) to cubic PNs for 5 experimentally characterized ternary HPs and find that the orthorhombic model computes Eg’s with the smallest MAD of 0.23 eV relative to the PNs. Pair distribution functions and DFT-computed total energies show that octahedral tilting, which is present in the 20-atom orthorhombic and 160-atom cubic PN models but not in the 5-atom cubic models, stabilizes all 5 compositions in our benchmarking set. We also find that imposing PN constraints when generating and optimizing these orthorhombic structures by fixing the unit cell lattice vectors and displacing the atoms prior to ionic relaxation with DFT, which we call the orthorhombic surrogate model (OSM), lowers the MAD of E g predictions to 0.09 eV. Our OSM predicts the PN band gaps of an additional 95 theoretical inorganic ternary HPs with MAD of 0.08 eV, supporting its usage in high-throughput DFT investigations to closely estimate PN band gaps with much less computational expense.

14 SOLAR ENERGY↗

Production of negative ions on graphite surface in H{sub 2}/D{sub 2} plasmas: Experiments and srim calculations

In previous works, surface-produced negative-ion distribution-functions have been measured in H{sub 2} and D{sub 2} plasmas using graphite surfaces (highly oriented pyrolitic graphite). In the present paper, we use the srim software to interpret the measured negative-ion distribution-functions. For this purpose, the distribution-functions of backscattered and sputtered atoms arising due to the impact of hydrogen ions on a-CH and a-CD surfaces are calculated. The srim calculations confirm the experimental deduction that backscattering and sputtering are the mechanisms of the origin of the creation of negative ions at the surface. It is shown that the srim calculations compare well with the experiments regarding the maximum energy of the negative ions and reproduce the experimentally observed isotopic effect. A discrepancy between calculations and measurements is found concerning the yields for backscattering and sputtering. An explanation is proposed based on a study of the emitted-particle angular-distributions as calculated by srim.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

TIME-DEPENDENT ELECTRON ACCELERATION IN BLAZAR TRANSIENTS: X-RAY TIME LAGS AND SPECTRAL FORMATION

Electromagnetic radiation from blazar jets often displays strong variability, extending from radio to γ -ray frequencies. In a few cases, this variability has been characterized using Fourier time lags, such as those detected in the X-rays from Mrk 421 using Beppo SAX. The lack of a theoretical framework to interpret the data has motivated us to develop a new model for the formation of the X-ray spectrum and the time lags in blazar jets based on a transport equation including terms describing stochastic Fermi acceleration, synchrotron losses, shock acceleration, adiabatic expansion, and spatial diffusion. We derive the exact solution for the Fourier transform of the electron distribution and use it to compute the Fourier transform of the synchrotron radiation spectrum and the associated X-ray time lags. The same theoretical framework is also used to compute the peak flare X-ray spectrum, assuming that a steady-state electron distribution is achieved during the peak of the flare. The model parameters are constrained by comparing the theoretical predictions with the observational data for Mrk 421. The resulting integrated model yields, for the first time, a complete first-principles physical explanation for both the formation of the observed time lags and the shape of the peak flare X-ray spectrum. It also yields direct estimates of the strength of the shock and the stochastic magnetohydrodynamical wave acceleration components in the Mrk 421 jet.

79 ASTRONOMY AND ASTROPHYSICS↗

The LOCV asymmetric nuclear matter two-body density distributions versus those of FHNC

The theoretical computations of the electron–nucleus scattering can be improved, by employing the asymmetric nuclear matter (ASM) two-body density distributions (TBDD). But, due to the sophistications of the calculations, the TBDD with arbitrary isospin asymmetry have not yet been computed in the Fermi Hypernetted Chain (FHNC) or the Monte Carlo (MC) approaches. So, in the present work, we intend to find the ASM TBDD, in the states with isospin T, spin S and spin projection S{sub z}, in the Lowest Order Constrained Variational (LOCV) method. It is demonstrated that, at small relative distances, independent of the proton to neutron ratio β, the state-dependent TBDD have a universal shape. Expectedly, it is observed that, at low (high) β values, the nucleons prefer to make a pair in the T=1(0) states. In addition, the strength of the tensor-dependent correlations is investigated, using the ratio of the TBDD in the TSS{sub z}=010 state with θ=π∕2 and that of θ=0. The mentioned ratios peak at r∼0.9fm, considering different β values. It is hoped that, the present results could help a better reproduction of the experimental data of the electron–nucleus scattering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Comprehensive Scheduling Framework using SP-ADMM for Residential Demand Response with Weather and Consumer Uncertainties

This paper presents a comprehensive scheduling framework for residential demand response (DR) programs considering both the day-ahead and real-time electricity markets. In the first stage, residential customers determine the operating status of their responsive devices such as heating, ventilation, and air conditioning (HVAC) systems and electric water heaters (EWHs), while the distribution system operator (DSO) computes the amount of electricity to be purchased in the day-ahead electricity market. In the second stage, the DSO purchases insufficient (or sells surplus) electricity in the real-time electricity market to maintain the supply-demand balance. Due to its computational complexity and data privacy issues, the proposed model cannot be directly solved in a centralized manner, especially with a large number of uncertain scenarios. Therefore, this paper proposes a combination of stochastic programming (SP) and the alternating direction method of multipliers (ADMM) algorithm, called SP-ADMM, to decompose the original model and then solve each sub-problem in a distributed manner while considering multiple uncertain scenarios. The simulation study is performed on the IEEE 33-bus system including 121 residential houses. Here, the results demonstrate the effectiveness of the proposed approach for large-scale residential DR applications under weather and consumer uncertainties.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Benchmarking PARTISN with Analog Monte Carlo: Moments of the Neutron Number and the Cumulative Fission Number Probability Distributions

The purpose of this report is to provide the reader with an understanding of how a Monte Carlo neutron transport code was written, developed, and evolved to calculate the probability distribution functions (PDFs) and their moments for the neutron number at a final time as well as the cumulative fission number, along with introducing several basic Monte Carlo concepts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A dosimetric evaluation of the Eclipse AAA algorithm and Millennium 120 MLC for cranial intensity-modulated radiosurgery

The aim of this study is to assess the accuracy of a convolution-based algorithm (anisotropic analytical algorithm [AAA]) implemented in the Eclipse planning system for intensity-modulated radiosurgery (IMRS) planning of small cranial targets by using a 5-mm leaf-width multileaf collimator (MLC). Overall, 24 patient-based IMRS plans for cranial lesions of variable size (0.3 to 15.1 cc) were planned (Eclipse, AAA, version 10.0.28) using fixed field-based IMRS produced by a Varian linear accelerator equipped with a 120 MLC (5-mm width on central leaves). Plan accuracy was evaluated according to phantom-based measurements performed with radiochromic film (EBT2, ISP, Wayne, NJ). Film 2D dose distributions were performed with the FilmQA Pro software (version 2011, Ashland, OH) by using the triple-channel dosimetry method. Comparison between computed and measured 2D dose distributions was performed using the gamma method (3%/1 mm). Performance of the MLC was checked by inspection of the DynaLog files created by the linear accelerator during the delivery of each dynamic field. The absolute difference between the calculated and measured isocenter doses for all the IMRS plans was 2.5% ± 2.1%. The gamma evaluation method resulted in high average passing rates of 98.9% ± 1.4% (red channel) and 98.9% ± 1.5% (blue and green channels). DynaLog file analysis revealed a maximum root mean square error of 0.46 mm. According to our results, we conclude that the Eclipse/AAA algorithm provides accurate cranial IMRS dose distributions that may be accurately delivered by a Varian linac equipped with a Millennium 120 MLC.

61 RADIATION PROTECTION AND DOSIMETRY↗

Distributed Data-Driven Optimization for Voltage Regulation in Distribution Systems

Here, this paper proposes a distributed data-driven optimization framework for voltage regulation in distribution systems. The recursive kernel regression and alternating direction method of multipliers (ADMM) are selected to cover the system learning and distributed optimization tasks. The proposed distributed data-driven framework is capable of having a rapid response to system or load changes while considering the operation optimality. Besides, the distributed algorithm parallels the computation tasks and reduces the computational expense of a single agent. To validate the performance of the proposed method, a hypothetical 7-Bus system and the IEEE 123-Bus system are selected to show the effectiveness of the proposed data-driven framework. According to the numerical study results, the proposed method offers great flexibility for selecting customized kernel models for different regions and can effectively improve the system voltage profile in a distributed manner.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Short-Term Load Forecasting Error Distributions and Implications for Renewable Integration Studies: Preprint

Load forecasting in the day-ahead timescale is a critical aspect of power system operations that is used in the unit commitment process. It is also an important factor in renewable energy integration studies, where the combination of load and wind or solar forecasting techniques create the net load uncertainty that must be managed by the economic dispatch process or with suitable reserves. An understanding of that load forecasting errors that may be expected in this process can lead to better decisions about the amount of reserves necessary to compensate errors. In this work, we performed a statistical analysis of the day-ahead (and two-day-ahead) load forecasting errors observed in two independent system operators for a one-year period. Comparisons were made with the normal distribution commonly assumed in power system operation simulations used for renewable power integration studies. Further analysis identified time periods when the load is more likely to be under- or overforecast.

17 WIND ENERGY↗

SURVEY OF COUPLING SCHEMES IN TRADITIONAL COUPLED NEUTRONICS AND THERMAL-HYDRAULICS CODES

The design and the analysis of nuclear power plants (NPPs) require computational codes to predict the behavior of the NPP nuclear components and other systems (i.e., reactor core, primary coolant system, emergency core cooling system, etc.). Coupled calculations are essential to the conduct of deterministic safety assessments. Inasmuch as the physical phenomena that govern the performance of a nuclear reactor are always present simultaneously, ideally computational modeling of a nuclear reactor should include coupled codes that represent all of the active physical phenomena. Such multi-physics codes are under development at several institutions and are expected to become operational in the future. However, in the interim, integrated codes that incorporate modeling capabilities for two to three physical phenomena will remain useful. For example, in the conduct of safety analyses, of paramount importance are codes that couple neutronics and thermal-hydraulics, especially transient codes. Other code systems of importance to safety analyses are those that couple primary system thermal-hydraulics to fission product chemistry, neutronics to fuel performance, containment behavior and structural mechanics to thermal-hydraulics, etc. This paper surveys the methods used traditionally in the coupling of neutronic and thermal-hydraulics codes. The neutron kinetics codes are used for computing the space-time evolution of the neutron flux and, hence, of the power distribution. The thermal-hydraulics codes, which compute mass, momentum and energy transfers, model the coolant flow and the temperature distribution. These codes can be used to compute the neutronic behavior and the thermal-hydraulic states separately. However, the need to account with fidelity for the dynamic feedback between the two sets of properties (via temperature and density effects on the cross section inputs into the neutronics codes) and the requirement to model realistically the transient response of nuclear power plants and to assess the associated emergency systems and procedures imply the necessity of modeling the neutronic and thermal-hydraulics simultaneously within a coupled code system. The focus of this paper is a comparison of the methods by which the coupling between neutron kinetics and thermal-hydraulics treatments has been traditionally achieved in various code systems. As discussed in the last section, the modern approaches to multi-physics code development are beyond the scope of this paper.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The fate of fallback matter around newly Born compact objects

The presence of fallback disks around young neutron stars (NSs) has been invoked over the years to explain a large variety of phenomena. Here we perform a numerical investigation of the formation of such disks during a supernova (SN) explosion, considering both NS and black hole (BH) remnants. Using the public code MESA, we compute the angular momentum distribution of the pre-SN material, for stars with initial masses M in the range 13-40 M {sub ☉}, initial surface rotational velocities v {sub surf} between 25% and 75% of the critical velocity, and for metallicities Z of 1%, 10%, and 100% of the solar value. These pre-SN models are exploded with energies E varying between 10{sup 50}-3 × 10{sup 52} erg, and the amount of fallback material is computed. We find that, if magnetic torques play an important role in angular momentum transport, then fallback disks around NSs, even for low-metallicity main-sequence stars, are not an outcome of SN explosions. Formation of such disks around young NSs can only happen under the condition of negligible magnetic torques and a fine-tuned explosion energy. For those stars that leave behind BH remnants, disk formation is ubiquitous if magnetic fields do not play a strong role; however, unlike the NS case, even with strong magnetic coupling in the interior, a disk can form in a large region of the Z, M, v {sub surf}, E parameter space. Together with the compact, hyperaccreting fallback disks widely discussed in the literature, we identify regions in the above parameter space that lead to extended, long-lived disks around BHs. We find that the physical conditions in these disks may be conducive to planet formation, hence leading to the possible existence of planets orbiting BHs.

79 ASTRONOMY AND ASTROPHYSICS↗

The Solid Angle for a Spherical Surface Source and a Detector with an Arbitrary Aperture: An Elegant Proof

It has previously been proven that the solid angle (or geometry factor, also called the geometrical efficiency) for a spherically symmetric outward-directed surface source with an arbitrary radius and polar angle distribution and an arbitrary detector aperture is equal to the solid angle for an isotropic point source located at the center of the spherical surface source and the same detector aperture. The solid angle for a source-detector system is the fraction of source particles that enter the detector aperture and so it is not purely geometric-the angular distribution of the source is a factor. The previous proof relied on an analytic transport-theory (streaming only) calculation of the solid angle Ω for a spherically symmetric surface source and a point detector. In this paper, a new, more elegant proof is given. Since the net current across any portion of a plane that intersects the center of a spherical surface source is zero, the solid angle for a spherical surface source with any polar angle distribution and a uniform azimuthal angle distribution and any detector aperture is equal to the solid angle for an isotropic point source and the same detector. This insight obviates the calculus and trigonometry involved in the previous proof. (author)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Direct Bayesian inference for fault severity assessment in Digital-Twin-Based fault diagnosis

For applications in condition-based maintenance of nuclear systems, the assessment of fault severity is crucial. In this work, we developed a framework that allows for direct inference of the probability distributions of possible faults in a system. Here, we employed a model-based approach with model residuals generated from analytical redundancy relations provided by physics-based models of the system components. From real-time sensor readings, the values of the model residuals can be calculated, and the posterior probability distributions of the faults can be computed directly using the methods of Bayesian networks. From the posterior distribution of each fault, one can estimate the fault probability based on a chosen threshold and assess the severity of the fault. By eliminating the discretization and simplifications in middle steps, this approach allows us to leverage the available computational resources to provide more accurate fault probability estimates and severity assessments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Comparison of MCNP6 and experimental results for neutron counts, Rossi-{alpha}, and Feynman-{alpha} distributions

MCNP6, the general-purpose Monte Carlo N-Particle code, has the capability to perform time-dependent calculations by tracking the time interval between successive events of the neutron random walk. In fixed-source calculations for a subcritical assembly, the zero time value is assigned at the moment the neutron is emitted by the external neutron source. The PTRAC and F8 cards of MCNP allow to tally the time when a neutron is captured by {sup 3}He(n, p) reactions in the neutron detector. From this information, it is possible to build three different time distributions: neutron counts, Rossi-{alpha}, and Feynman-{alpha}. The neutron counts time distribution represents the number of neutrons captured as a function of time. The Rossi-a distribution represents the number of neutron pairs captured as a function of the time interval between two capture events. The Feynman-a distribution represents the variance-to-mean ratio, minus one, of the neutron counts array as a function of a fixed time interval. The MCNP6 results for these three time distributions have been compared with the experimental data of the YALINA Thermal facility and have been found to be in quite good agreement. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Pore-Scale Simulation of Intragranular Diffusion: Effects of Incomplete Mixing on Macroscopic Manifestations

Diffusive mass transfer into and out of intragranular micropores ("intragranular diffusion") plays an important role in the large-scale transport of some groundwater contaminants. We are interested in understanding the combined effect of pore-scale advection and intragranular diffusion on solute transport at the effective porous medium scale. To study this problem, we have developed a three-dimensional pore-scale model of fluid flow and solute transport that incorporates diffusion into and out of intragranular pore spaces. Our model is based on the Smoothed Particle Hydrodynamics (SPH) simulation method, which represents fluid and solid phases by a mesh-free particle discretization. In the pore spaces, fluid flow is simulated by discretizing the Navier-Stokes equations using the SPH approach. Solute transport is represented by advection, diffusion within the fluid phase, and diffusion between the fluid and solid phases. Our model is implemented on large-scale parallel computing hardware, allowing us to simulate millions of computational particles and represent fully three-dimensional systems of pores and grains with arbitrarily complex physical geometry. We have used this model system to perform numerical experiments using various model porous media systems, which allows us to draw comparisons between macroscopic measures computed from the pore-scale simulations (such as breakthrough curves) and those predicted by macroscopic formulations that assume complete mixing over the representative volume. In this paper we present results of 3D simulations of pore-scale flow and transport, including cases with and without intragranular diffusion, in two model porous media, one with randomly-packed uniform spherical grains and a second with randomly-packed spheres drawn from a binary grain size distribution. Breakthrough curves were computed from the 3D simulations at various transport distances. Comparable breakthrough curves were computed using 1D macroscopic models with parameters determined independently to the degree possible. Based on comparisons of the pore-scale and macroscopic model results, we draw two primary conclusions. First, non-Fickian behavior is persistent and ubiquitous at the scales considered, and most cases are better represented by a multi-rate mass transfer model even when there is no distinct secondary porosity (i.e., no intragranular diffusion). This suggests that diffusive mass transfer processes between preferential flow paths and relatively immobile zones within the primary porosity may have significant impact on transport, particular in low-concentration tails. Second, the application of mass transfer rate parameters based on an assumption of well-mixed concentrations at the pore-scale tend to overestimate the amount of mass transfer that occurs in heterogeneous pore geometries in which preferential flow leads to incomplete pore-scale lateral mixing.

Environmental Molecular Sciences Laboratory↗

Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to “soft” corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Transformations based on continuous piecewise-affine velocity fields

Here, we propose novel finite-dimensional spaces of well-behaved Rn → Rn transformations. The latter are obtained by (fast and highly-accurate) integration of continuous piecewise-affine velocity fields. The proposed method is simple yet highly expressive, effortlessly handles optional constraints (e.g., volume preservation and/or boundary conditions), and supports convenient modeling choices such as smoothing priors and coarse-to-fine analysis. Importantly, the proposed approach, partly due to its rapid likelihood evaluations and partly due to its other properties, facilitates tractable inference over rich transformation spaces, including using Markov-Chain Monte-Carlo methods. Its applications include, but are not limited to: monotonic regression (more generally, optimization over monotonic functions); modeling cumulative distribution functions or histograms; time-warping; image warping; image registration; real-time diffeomorphic image editing; data augmentation for image classifiers. Our GPU-based code is publicly available.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗