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DOE OSTI2016

SU-F-J-201: Validation Study of Proton Radiography Against CT Data for Quantitative Imaging of Anatomical Changes in Head and Neck Patients

Purpose: In clinical pencil-beam-scanned (PBS) proton therapy, the advantage of the characteristic sharp dose fall-off after the Bragg Peak (BP) becomes a disadvantage if the BP positions of a plan’s constituent pencil beams are shifted, eg.due to anatomical changes. Thus, for fractionated PBS proton therapy, accurate knowledge of the water equivalent path length (WEPL) of the traversed anatomy is critical. In this work we investigate the feasibility of using 2D proton range maps (proton radiography, PR) with the active-scanning gantry at PSI. Methods: We simulated our approach using Monte Carlo methods (MC) to simulate proton beam interactions in patients using clinical imaging data. We selected six head and neck cases having significant anatomical changes detected in per-treatment CTs.PRs (two at 0°/90°) were generated from MC simulations of low-dose pencil beams at 230MeV. Each beam’s residual depth-dose was propagated through the patient geometry (from CT) and detected on exiting the patient anatomy in an ideal depth-resolved detector (eg. range telescope). Firstly, to validate the technique, proton radiographs were compared to the ground truth, which was the WEPL from ray-tracing in the patient CT at the pencil beam location. Secondly, WEPL difference maps (per-treatment – planning imaging timepoints) were then generated to locate the anatomical changes, both in the CT (ground truth) and in the PRs. Binomial classification was performed to evaluate the efficacy of the technique relative to CT. Results: Over the projections simulated over all six patients, 70%, 79% and 95% of the grid points agreed with the ground truth proton range to within ±0.5%, ±1%, and ±3% respectively. The sensitivity, specificity, precision and accuracy were high (mean±1σ, 83±8%, 87±13%, 95±10%, 83±7% respectively). Conclusion: We show that proton-based radiographic images can accurately monitor patient positioning and in vivo range verification, while providing equivalent WEPL information to a CT scan, with the advantage of a much lower imaging dose.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2013

On the multistream approach of relativistic Weibel instability. III. Comparison with full-kinetic Vlasov simulations

The saturation of the Weibel instability in the relativistic regime is investigated within the Hamiltonian reduction technique based on the multistream approach developed in paper I in the linear case and in paper II for the nonlinear saturation. In this work, the study is compared with results obtained by full kinetic 1D2V Vlasov-Maxwell simulations based on a semi-Lagrangian technique. For a temperature anisotropy, qualitatively different regimes are realized depending on the excitation of the longitudinal (plasma) electric field, in contrast with the existing theories of the Weibel instability based on their purely transverse characters. The emphasis here is on gaining a better understanding of the nonlinear aspects of the Weibel instability. The multistream model offers an alternate way to make calculations or numerical experiments more tractable, when only a few moments of the velocity distribution of the plasma are considered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

MarmotViz

MarmotViz is an illustrative visualization plug-in for ParaView. It enables users to identify and track time-varying features in simulation datasets. It permits the application of illustrative visualization effects to these features including: selective visualization, feature coloring, boundary smoothing, haloing, silhouette outlining, speedlines, and strobe silhouettes. These techniques serve to assist in exploration and interpretation of simulation data and can be used to generate enhanced renderings for presentation. The MarmotViz plug-in is developed as a flexible framework, and can be easily extended to incorporate new region-of-interest (ROI) identification algorithms, feature matching and tracking algorithms, and illustrative visualization effects.

Rattner, Alexander↗

DOE OSTI2022

Evaluation of sky spectra and sky models in daylighting simulations

Sky models in daylight simulations represent the luminance variation across the sky-dome for different locations, dates, times and weather conditions, but skies are typically modelled as colourless. Recent studies explore techniques for incorporating the spectral content of daylighting in simulations. This paper provides an evaluation of the existing spectral sky models in lighting simulation software. The comparisons are made between the available mathematical sky models and naturally occurring skies that were recorded using high dynamic range photography and spectrophotometric measurements. The results show that recently developed sky models present progress compared to colourless sky models, but further research is needed to accurately simulate daylight spectra.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Chaotic advection at large Péclet number: Electromagnetically driven experiments, numerical simulations, and theoretical predictions

We present a combination of experiment, theory, and modelling on laminar mixing at large Péclet number. The flow is produced by oscillating electromagnetic forces in a thin electrolytic fluid layer, leading to oscillating dipoles, quadrupoles, octopoles, and disordered flows. The numerical simulations are based on the Diffusive Strip Method (DSM) which was recently introduced (P. Meunier and E. Villermaux, “The diffusive strip method for scalar mixing in two-dimensions,” J. Fluid Mech. 662, 134–172 (2010)) to solve the advection-diffusion problem by combining Lagrangian techniques and theoretical modelling of the diffusion. Numerical simulations obtained with the DSM are in reasonable agreement with quantitative dye visualization experiments of the scalar fields. A theoretical model based on log-normal Probability Density Functions (PDFs) of stretching factors, characteristic of homogeneous turbulence in the Batchelor regime, allows to predict the PDFs of scalar in agreement with numerical and experimental results. This model also indicates that the PDFs of scalar are asymptotically close to log-normal at late stages, except for the large concentration levels which correspond to low stretching factors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Measuring the strong electrostatic and magnetic fields with proton radiography for ultra-high intensity laser channeling on fast ignition

In order to investigate the intense laser propagation and channel formation in dense plasma, we conducted an experiment with proton deflectometry on the OMEGA EP Laser facility. The proton image was analyzed by tracing the trajectory of mono-energetic protons, which provides understanding the electric and magnetic fields that were generated around the channel. The estimated field strengths (E ∼ 10{sup 11} V/m and B ∼ 10{sup 8} G) agree with the predictions from 2D-Particle-in-cell (PIC) simulations, indicating the feasibility of the proton deflectometry technique for over-critical density plasma.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2019

Probabilistic Resource Adequacy Suite (PRAS)

The Probabilistic Resource Adequacy Suite (PRAS) provides an open-source, research-oriented collection of tools for analysing the resource adequacy of a bulk power system. The simulation methods offered support everything from classical convolution-based analytical techniques through to high-performance sequential Monte Carlo methods supporting multi-region composite reliability assessment, including simulation of energy-limited resources such as storage.

Stephen, Gord↗

DOE OSTI2017

Nuclear Power Plant Control Room Modernization - Simulation Based Design

As many plants age and equipment modifications are implemented, the industry has the opportunity to address the issue of control room obsolescence through technology application and enhanced engineering techniques using existing systems. This paper addresses the practice of Simulation Based Design (SBD) for control room modernization driven by plant modifications and upgrades.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Data-driven nonlocal model for fragmentation in the crushing of solids

A technique is proposed for reproducing particle size distributions in three-dimensional simulations of the crushing and comminution of solid materials. The method is designed to produce realistic distributions over a wide range of loading conditions, especially for small fragments. In contrast to most existing methods, the new model does not explicitly treat the small-scale process of fracture. Instead, it uses measured fragment distributions from laboratory tests as the basic material property that is incorporated into the algorithm, providing a data-driven approach. The algorithm is implemented within a nonlocal peridynamic solver, which simulates the underlying continuum mechanics and contact interactions between fragments after they are formed. Finally, the technique is illustrated in reproducing fragmentation data from drop weight testing on sandstone samples.

58 GEOSCIENCES↗

DOE OSTI2023

The microphysics of the warm-rain and ice crystal processes of precipitation in simulated continental convective storms

Precipitation in clouds can form by either warm-rain or ice crystal processes, referred to as warm and cold formation pathways, respectively. Here, we investigate the warm and cold pathway contributions to surface precipitation in simulated continental convective storms. We analyze three contrasting convective storms that are cold-based, slightly warm-based and very warm-based. We apply tracer-tagging techniques in our aerosol-cloud model to determine simulated microphysical pathways that lead to precipitation. We find cold components of graupel and rain mass were higher than warm components in cold- and slightly warm-based clouds. By contrast, in very warm-based clouds nearly 80% of surface precipitation was formed via warm-rain processes. Lowering of cloud base altitude to levels about 10–20 K warmer switched surface precipitation to being mostly warm, due to enhanced moisture content in the planetary boundary layer and larger cloud droplets aloft intensifying raindrop freezing. Our simulations indicate that warm and cold processes co-exist in any storm and the balance between them is determined by cloud base temperature and solute aerosol conditions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

FY 2016 Status Report on the Modeling of the M8 Calibration Series using MAMMOTH

This report provides a summary of the progress made towards validating the multi-physics reactor analysis application MAMMOTH using data from measurements performed at the Transient Reactor Test facility, TREAT. The work completed consists of a series of comparisons of TREAT element types (standard and control rod assemblies) in small geometries as well as slotted mini-cores to reference Monte Carlo simulations to ascertain the accuracy of cross section preparation techniques. After the successful completion of these smaller problems, a full core model of the half slotted core used in the M8 Calibration series was assembled. Full core MAMMOTH simulations were compared to Serpent reference calculations to assess the cross section preparation process for this larger configuration. As part of the validation process the M8 Calibration series included a steady state wire irradiation experiment and coupling factors for the experiment region. The shape of the power distribution obtained from the MAMMOTH simulation shows excellent agreement with the experiment. Larger differences were encountered in the calculation of the coupling factors, but there is also great uncertainty on how the experimental values were obtained. Future work will focus on resolving some of these differences.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

A Visual Analytic Platform for Interactive Validation of Human Mobility Simulations

Human mobility insights guide domain experts in an array of decisions, including critical infrastructure design, disaster response, epidemic modeling, national security, and policy making. Due to the inherent noise and privacy concerns in real-world individual-level mobility data, it is often preferred to leverage simulators that generate synthetic mobility data instead. However, it is critical to inspect and validate the output of such simulators to ensure the synthetic data is aligned with the characteristics of the population and the area of interest known to domain experts. While there exist many quantitative approaches for validating synthetic data, we argue it is also important to also validate such data qualitatively to capture aspects that are known to domain experts but difficult to quantify. In this work, we demonstrate a visual analytic platform that empowers domain experts to interact with their simulation outputs along spatial and temporal dimensions. By augmenting automated techniques and human skills, our visual analytic platform is a step towards interactive capabilities for model steering and quality control of mobility simulators.

Monadjemi, Shayan↗

DOE OSTI2013

STELLAR ENERGY RELAXATION AROUND A MASSIVE BLACK HOLE

Orbital energy relaxation around a massive black hole (MBH) plays a key role in the dynamics of galactic nuclei. Its standard description as diffusion provides a perturbative solution in the weak two-body interaction limit. Our N-body simulations show this fails to describe the short-timescale evolution, which is impacted by extreme events even in the weak limit, and is thus difficult to characterize and measure. We derive a non-perturbative solution for energy relaxation as an anomalous diffusion process, and a robust estimation technique to measure it in N-body simulations, and use these to analyze our numerical results. We empirically validate, for the first time, this theoretical description of energy relaxation around an MBH on all timescales. We constrain the modest contribution from strong encounters, and precisely measure that from the weakest encounters, and thereby calibrate the Coulomb logarithm. This yields a robust analytical estimate for the energy diffusion time, t{sub E} . We relate t{sub E} to the time t{sub r} it takes a small density perturbation to return to steady state in a relaxed, single mass stellar cusp, t{sub r} {approx_equal} 10t{sub E} {approx_equal} (5/32)Q {sup 2} P{sub h} /N{sub h} log Q, where Q = M {sub .}/M {sub *} is the MBH to star mass ratio, and the orbital period P{sub h} and star number N{sub h} are evaluated at the energy scale of the MBH's sphere of influence, E{sub h} = {sigma}{sup 2} {sub {infinity}}, where {sigma}{sub {infinity}} is the velocity dispersion at infinity. The observed M {sub .}/{sigma}{sub {infinity}} correlation then implies that passively evolving stellar cusps around lower-mass MBHs (M {sub .} {approx}< 10{sup 7} M {sub Sun }) should be dynamically relaxed by the Hubble time. We briefly consider the implications of anomalous diffusion for stars near the Galactic MBH.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

A Method to Test Model Calibration Techniques: Preprint

This paper describes a method for testing model calibration techniques. Calibration is commonly used in conjunction with energy retrofit audit models. An audit is conducted to gather information about the building needed to assemble an input file for a building energy modeling tool. A calibration technique is used to reconcile model predictions with utility data, and then the 'calibrated model' is used to predict energy savings from a variety of retrofit measures and combinations thereof. Current standards and guidelines such as BPI-2400 and ASHRAE-14 set criteria for 'goodness of fit' and assume that if the criteria are met, then the calibration technique is acceptable. While it is logical to use the actual performance data of the building to tune the model, it is not certain that a good fit will result in a model that better predicts post-retrofit energy savings. Therefore, the basic idea here is that the simulation program (intended for use with the calibration technique) is used to generate surrogate utility bill data and retrofit energy savings data against which the calibration technique can be tested. This provides three figures of merit for testing a calibration technique, 1) accuracy of the post-retrofit energy savings prediction, 2) closure on the 'true' input parameter values, and 3) goodness of fit to the utility bill data. The paper will also discuss the pros and cons of using this synthetic surrogate data approach versus trying to use real data sets of actual buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

A Method to Test Model Calibration Techniques

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Advanced Simulation Aided Metallic Fuel Design

Nuclear engineering is reaching a domain space in which computational power and methods are starting to surpass the models that are used to simulate nuclear fuel rods. As these models are updated, simulations utilizing different compositions, operating conditions, fabrication techniques, and geometries can provide core designers with an important first step towards fuel qualification. Due to the cost associated with fuel irradiations, it can be expected that time and money spent building better fuel models may provide an attractive return during initial studies of advanced fuels, especially with regards to fuels beyond the extensively studied uranium oxide system. In general, the primary U.S. experience with irradiated fuel rods beyond traditional oxide fuel is with binary (U-Zr) and ternary (U-Pu-Zr) metal fuels. The bulk of the experimental data for metal fuels is obtained from rods irradiated in the EBR-II sodium fast reactor (SFR), thus many of the correlations developed for metal fuels comes from the post-irradiation (PIE) examination of EBR-II rods. One of the unique characteristics that set U-Pu-Zr fuels apart from traditional oxide fuels is the presence of different phases that develop in the fuel during irradiation. Each of these different phases has unique thermal, mechanical, and diffusive behavior. The transitions between these phases are not static as the initially homogenous zirconium diffuses towards the center and edge of the fuel rod, resulting in a low-Zr, high-U ring. Along with the differing material properties that occur in each phase, the increase in uranium corresponds to an increase in localized fission and power production. The direct coupling between the thermal and diffusion solves highlights one of the many examples of tightly coupled phenomenon that are present in nuclear fuel, and motivation for the development of codes that simultaneously solve each piece of physics in a fully-coupled manner.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Can artificial intelligence and data-driven machine learning models match or even replace process-driven hydrologic models for streamflow simulation?: A case study of four watersheds with different hydro-climatic regions across the CONUS

With recent developments in computational techniques, Data-driven Machine Learning Models (DMLs) have shown great potential in simulating streamflow and capturing the rainfall-runoff relationship in given watersheds, which are traditionally fulfilled by Process-based Hydrologic Models (PHMs). There are debates on whether the DMLs can outperform and possibly replace the classical PHMs for streamflow simulation and river forecasting, but no clear conclusions have been made. This study aims to investigate whether the newer DMLs have any potential in further improving the simulation accuracy of classical PHMs, and vice versa. To do this, we compared a few popular PHMs and DMLs over four watersheds across the Continental US (CONUS) that are associated with different input, climate, and regional conditions. A total of five hydrologic models were chosen, including (1) two classical lumped models, i.e., the Sacramento Soil Moisture Accounting (SAC-SMA) and Xinanjiang (XAJ); (2) one modern distributed model, termed Coupled Routing and Excess Storage (CREST); (3) and two DMLs including an Artificial Neural Networks (ANN) and a deep learning model, termed Long Short Term Memory (LSTM). Our results demonstrated that the DMLs still significantly biased when using the baseline input scenario with the PHMs. However, the DMLs fed with delayed input scenarios had great potential and can reach high simulation accuracy. The DMLs, especially the ANN, outperformed other employed models under the rainfall-runoff relationship in which rainfall dominantly drives. Furthermore, the DMLs also showed better performance in the high-flow regime, while the PHMs had a better performance for the low-flow regime, implying both PHMs and DMLs have their own merits and are worthy of joint development. In general, our study indicated a great potential of using DMLs to simulate streamflow, but further studies are still needed to verify the transferability and scalability of DMLs in large-scale experiments, such as the Distributed Model Intercomparison Projects 1&2 conducted by National Weather Services but to compare modern DMLs and PHMs.

58 GEOSCIENCES↗

DOE OSTI2015

Detailed analysis of the effects of stencil spatial variations with arbitrary high-order finite-difference Maxwell solver

Due to discretization effects and truncation to finite domains, many electromagnetic simulations present non-physical modifications of Maxwell's equations in space that may generate spurious signals affecting the overall accuracy of the result. Such modifications for instance occur when Perfectly Matched Layers (PMLs) are used at simulation domain boundaries to simulate open media. Another example is the use of arbitrary order Maxwell solver with domain decomposition technique that may under some condition involve stencil truncations at subdomain boundaries, resulting in small spurious errors that do eventually build up. In each case, a careful evaluation of the characteristics and magnitude of the errors resulting from these approximations, and their impact at any frequency and angle, requires detailed analytical and numerical studies. To this end, we present a general analytical approach that enables the evaluation of numerical discretization errors of fully three-dimensional arbitrary order finite-difference Maxwell solver, with arbitrary modification of the local stencil in the simulation domain. The analytical model is validated against simulations of domain decomposition technique and PMLs, when these are used with very high-order Maxwell solver, as well as in the infinite order limit of pseudo-spectral solvers. Results confirm that the new analytical approach enables exact predictions in each case. It also confirms that the domain decomposition technique can be used with very high-order Maxwell solver and a reasonably low number of guard cells with negligible effects on the whole accuracy of the simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗