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At least 829 records · Page 46

DOLCE: A Model-Based Probabilistic Diffusion Framework for Limited-Angle CT Reconstruction

Limited-Angle Computed Tomography (LACT) is a non-destructive evaluation technique used in a variety of applications ranging from security to medicine. The limited angle coverage in LACT is often a dominant source of severe artifacts in the reconstructed images, making it a challenging inverse problem. We present DOLCE, a new deep model-based framework for LACT that uses a conditional diffusion model as an image prior. Diffusion models are a recent class of deep generative models that are relatively easy to train due to their implementation as image denoisers. DOLCE can form high-quality images from severely under-sampled data by integrating data-consistency updates with the sampling updates of a diffusion model, which is conditioned on the transformed limited-angle data. We show through extensive experimentation on several challenging real LACT datasets that, the same pre-trained DOLCE model achieves the SOTA performance on drastically different types of images. Additionally, we show that, unlike standard LACT reconstruction methods, DOLCE naturally enables the quantification of the reconstruction uncertainty by generating multiple samples consistent with the measured data.

Kim, Hyojin↗

Acceleration of energetic particles at solar wind shocks

A review of the acceleration of energetic ions at interplanetary shocks is presented with an emphasis on the theory of diffusive shock acceleration and interplanetary traveling shocks. The basic theory is discussed briefly, including wave excitation. Ten predictions of the theory as outlined by Kennel et al. (1985) are presented and found to compare favorably with the observations of the 11, 12 November 1978 event. Some problems are presented which should be addressed by future theoretical/experimental work. A simple illustrative application of diffusive acceleration theory is made to the acceleration of ions at shocks in the distant heliosphere and compared qualitatively with the intensity profiles observed by Pioneer 10. Finally, Some brief thoughts on shock acceleration at high solar latitudes are presented.

Lee, M. A.↗

Thermal Problems in Material processing of High-Temperature Materials

In this final report axial segregation in unsteady diffusion dominated directional solidification of a binary alloy with a planar solid-liquid interface profile is considered. The analysis is an extension of the work of Smith et al. to account for an arbitrary initial axial concentration profile. This situation is important in the experimental studies of growth of crystals in a microgravity environment in which the growth is from melts formed by re-melting crystals that have a known axial impurity profile. Three situations are discussed. There are the initial transient, a re-solidified crystal, and multipass solidification.

Korpela, Seppo A.↗

Evaluation of scenario-specific modeling approaches to predict plane of array solar irradiation

The two main objectives of this study are to evaluate the extent to which the prediction of plane of array irradiance is improved when diffuse radiation is predicted using location-specific regression models developed from onsite measured data as against using generalized models and to estimate the expected uncertainties associated with plane of array irradiance predictions under different data collection scenarios likely to be encountered in practical situations.

Moslehi, Salim↗

Interaction between two conducting spheres in weakly ionized collisional plasma

Charging of two conducting spheres in a weakly ionized collisional plasma flow is considered. The spheres are arranged along the flow, and the plasma is assumed to consist of two ion species with the charges equal in magnitude but opposite in sign. The problem is analyzed with allowance for the external electric field, charging of the spheres due to the sedimentation of plasma ions on them, the fields of the sphere charges, the space charge field, and the processes of recombination and molecular diffusion. The interaction between the spheres and plasma is studied by numerically solving a time-dependent problem in a bispherical coordinate system by the finite difference method. The steady-state values of the sphere charges and the distributions of the space charge and ion densities in the ambient plasma are found as functions of the plasma parameters and the distance between the spheres. The electrostatic forces acting on the spheres are determined, and the effects of the external field, the space charge fields, and the fields of the sphere charges are comparatively analyzed. It is shown that, for the considered plasma parameters, the main electrostatic effect in the interaction between two spheres is their mutual approach in the external field due to the difference in their charges (one sphere catches up with the other). Due to the friction force with the neutral gas, this mutual approach is much slower than all other processes in the system. For widely spaced spheres, the results coincide with the solution obtained previously for a solitary sphere.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multi-Physics Simulations of Molten Chloride Fast Reactor using Nek5000 and PROTEUS-NODAL

This report documents the FY20 work to demonstrate a specific multi-physics capability within NEAMS tools to model molten chloride fast reactors (MCFR). Specifically, the CFD code Nek5000 and the neutronics code PROTEUS-NODAL were coupled off-line to calculate the delayed neutron precursor distribution within the flowing fuel salts in an MCFR core. An MCFR benchmark problem and a 3D test problem based on a conceptual MSR design were successfully solved through the coupled simulation of Nek5000 and PROTEUS-NODAL. In the coupled simulations for these test problems, Nek5000 provided high-quality flow field information, and PROTEUS-NODAL performed the neutron diffusion calculation along with the precursor drift model. The impact of precursor drift on the core status was also investigated. Additionally, the precursor drift model implemented in PROTEUS-NODAL was verified by making use of the reference precursor distribution generated from Nek5000. Results of these test problems suggest that the multi-physics capability of Nek5000 and PROTEUS-NODAL was properly developed for tracking delayed neutron precursor drift.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SubTSBR to tackle high noise and outliers for data-driven discovery of differential equations

Data-driven discovery of differential equations has been an emerging research topic. We propose a novel algorithm subsampling-based threshold sparse Bayesian regression (SubTSBR) to tackle high noise and outliers. The subsampling technique is used for improving the accuracy of the Bayesian learning algorithm. It has two parameters: subsampling size and the number of subsamples. When the subsampling size increases with fixed total sample size, the accuracy of our algorithm goes up and then down. When the number of subsamples increases, the accuracy of our algorithm keeps going up. We demonstrate how to use our algorithm step by step and compare our algorithm with threshold sparse Bayesian regression (TSBR) for the discovery of differential equations. We show that our algorithm produces better results. We also discuss the merits of discovering differential equations from data and demonstrate how to discover models with random initial and boundary condition as well as models with bifurcations. The numerical examples are: (1) predator-prey model with noise, (2) shallow water equations with outliers, (3) heat diffusion with random initial and boundary condition, and (4) fish-harvesting problem with bifurcations.

97 MATHEMATICS AND COMPUTING↗

Protection of rubbers against aging with the use of structural, diffusion and kinetic effects

Processes of rubber aging in the different kinetic modes and mathematical models of the processes including aging and destruction processes under extreme conditions have been studied. The aging process for rubbers as thermodynamically open nonlinear systems has also been considered in the paper. It has been revealed that the aging process can be controlled by the internal physical-chemical processes organization and by creation of external influences (by organization of thermodynamic forces and flows). According to the Onsager principle, in certain conditions of aging the conjugation of thermodynamic forces and flows is possible. The diffusion and structural aspects of aging in elastomeric rubbers and articles thereof have been considered. The composite antiaging systems of prolonged action based on the use of microparticles with a saturated solution of the antiagers migrating into an elastomeric matrix at the exploitation have been proposed.

36 MATERIALS SCIENCE↗

Parallel computation safety analysis irradiation targets fission product molybdenum in neutronic aspect using the successive over-relaxation algorithm

One of the research activities in support of commercial radioisotope production program is a safety research on target FPM (Fission Product Molybdenum) irradiation. FPM targets form a tube made of stainless steel which contains nuclear-grade high-enrichment uranium. The FPM irradiation tube is intended to obtain fission products. Fission materials such as Mo{sup 99} used widely the form of kits in the medical world. The neutronics problem is solved using first-order perturbation theory derived from the diffusion equation for four groups. In contrast, Mo isotopes have longer half-lives, about 3 days (66 hours), so the delivery of radioisotopes to consumer centers and storage is possible though still limited. The production of this isotope potentially gives significant economic value. The criticality and flux in multigroup diffusion model was calculated for various irradiation positions and uranium contents. This model involves complex computation, with large and sparse matrix system. Several parallel algorithms have been developed for the sparse and large matrix solution. In this paper, a successive over-relaxation (SOR) algorithm was implemented for the calculation of reactivity coefficients which can be done in parallel. Previous works performed reactivity calculations serially with Gauss-Seidel iteratives. The parallel method can be used to solve multigroup diffusion equation system and calculate the criticality and reactivity coefficients. In this research a computer code was developed to exploit parallel processing to perform reactivity calculations which were to be used in safety analysis. The parallel processing in the multicore computer system allows the calculation to be performed more quickly. This code was applied for the safety limits calculation of irradiated FPM targets containing highly enriched uranium. The results of calculations neutron show that for uranium contents of 1.7676 g and 6.1866 g (× 10{sup 6} cm{sup −1}) in a tube, their delta reactivities are the still within safety limits; however, for 7.9542 g and 8.838 g (× 10{sup 6} cm{sup −1}) the limits were exceeded.

07 ISOTOPE AND RADIATION SOURCES↗

Concentration nonlinearity of a suspension of transparent microspheres under the action of a gradient force in a periodically modulated laser field

Based on a one-dimensional Smoluchowski equation we have developed the theory of concentration nonlinearity of a suspension of transparent microspheres under the action of a gradient force in an interference laser field. The numerical solution of a system of recurrence equations resulting from the Smoluchowski equation after expansion of the microsphere concentration N(z,t) in the harmonic series has allowed us to determine the dependence of the concentration nonlinearity settling time on the intensity of the incident radiation. In the diffusion limit, we have derived the expression for the optical Kerr coefficient, which is found to be 8.5×10{sup −10} cm{sup 2} W{sup −1} for an aqueous suspension of latex microspheres with a radius of 1.17μm and a concentration of 6.5×10{sup 10} cm{sup −3}. Diffraction of a probe wave on a light-induced concentration grating is considered as a method for studying a nonlinear concentration response of an artificial highly efficient nonlinear medium for laser radiation of long pulse duration. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The modification of the nonlinear guiding center theory

We modify the NonLinear Guiding Center theory for perpendicular diffusion by replacing the spectral amplitude of the two-component model of magnetic turbulence with that of the two-dimensional model (following Shalchi), and replacing the constant a {sup 2}, which indicates the degree particles following the magnetic field line, with the variable a'{sup 2} as a function of the magnetic turbulence. We combine the modified model with the NonLinear PArallel diffusion theory to solve perpendicular and parallel diffusion coefficients simultaneously. It is shown that the new model agrees better with simulations. Furthermore, we fit the numerical results of the new model with polynomials, so that the parallel and perpendicular diffusion coefficients can be calculated directly without iteration of integrations, and many numerical calculations can be reduced.

79 ASTRONOMY AND ASTROPHYSICS↗

On the first crossing distributions in fractional Brownian motion and the mass function of dark matter haloes

We construct an integral equation for the first crossing distributions for fractional Brownian motion in the case of a constant barrier and we present an exact analytical solution. Additionally we present first crossing distributions derived by simulating paths from fractional Brownian motion. We compare the results of the analytical solutions with both those of simulations and those of some approximated solutions which have been used in the literature. Finally, we present multiplicity functions for dark matter structures resulting from our analytical approach and we compare with those resulting from N-body simulations. We show that the results of analytical solutions are in good agreement with those of path simulations but differ significantly from those derived from approximated solutions. Additionally, multiplicity functions derived from fractional Brownian motion are poor fits of the those which result from N-body simulations. We also present comparisons with other models which are exist in the literature and we discuss different ways of improving the agreement between analytical results and N-body simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Population dynamics, information transfer, and spatial organization in a chemical reaction network under spatial confinement and crowding conditions

Here, we investigate, via Brownian dynamics simulations, the reaction dynamics of a generic, nonlinear chemical network under spatial confinement and crowding conditions. In detail, the Willamowski-Rossler chemical reaction system has been “extended” and considered as a prototype reaction-diffusion system. These results are potentially relevant to a number of open problems in biophysics and biochemistry, such as the synthesis of primitive cellular units (protocells) and the definition of their role in the chemical origin of life and the characterization of vesicle-mediated drug delivery processes. More generally, the computational approach presented in this work makes the case for the use of spatial stochastic simulation methods for the study of biochemical networks in vivo where the “well-mixed” approximation is invalid and both thermal and intrinsic fluctuations linked to the possible presence of molecular species in low number copies cannot be averaged out.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Alamo multiphysics solver for phase field simulations with strong-form mechanics and block structured adaptive mesh refinement

Alamo is a high-performance scientific code that uses block-structured adaptive mesh refinement to solve such problems as: the ignition and burn of solid rocket propellant, plasticity, damage and fracture in materials undergoing loading, and the interaction of compressible flow with eroding solid materials. Alamo is powered by AMReX, and provides a set of unique methods, models, and algorithms that enable it to solve solid-mechanics problems (coupled to other physical behavior such as fluid flow or thermal diffusion) using the power of block-structured adaptive mesh refinement.

36 MATERIALS SCIENCE↗

SUNDIALS Multiphysics+MPIManyVector Performance Testing

In this report we document performance test results on a SUNDIALS-based multiphysics demonstration application. We aim to assess the large-scale parallel performance of new capabilities that have been added to the SUNDIALS suite of time integrators and nonlinear solvers in recent years under funding from both the Exascale Computing Project (ECP) and the Scientific Discovery through Advanced Scientific (SciDAC) program, specifically: 1. SUNDIALS’ new MPIManyVector module, that allows extreme flexibility in how a solution "vector" is staged on computational resources. 2. ARKode’s new multirate integration module, MRIStep, allowing high-order accurate calculations that subcycle "fast" processes within "slow" ones. 3. SUNDIALS’ new flexible linear solver interfaces, that allow streamlined specification of problem-specific linear solvers. 4. SUNDIALS’ new N_Vector additions of "fused" vector operations (to increase arithmetic intensity) and separation of reduction operations into "local" and "global" versions (to reduce latency by combining multiple reductions into a single MPI_Allreduce call). We anticipate that subsequent reports will extend this work to investigate a variety of other new features, including SUNDIALS’ generic SUNNonlinearSolver interface and accelerator-enabled N Vector modules, and upcoming MRIStep extensions to support custom "fast" integrators (that leverage problem structure) and IMEX integration of the "slow" time scale (to add diffusion).

97 MATHEMATICS AND COMPUTING↗

Time-dependent Perpendicular Transport of Energetic Particles for Different Turbulence Configurations and Parallel Transport Models

Recently, a new theory for the transport of energetic particles across a mean magnetic field was presented. Compared to other nonlinear theories the new approach has the advantage that it provides a full time-dependent description of the transport. Furthermore, a diffusion approximation is no longer part of that theory. The purpose of this paper is to combine this new approach with a time-dependent model for parallel transport and different turbulence configurations in order to explore the parameter regimes for which we get ballistic transport, compound subdiffusion, and normal Markovian diffusion.

79 ASTRONOMY AND ASTROPHYSICS↗