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Micrometer: Micromechanics transformer for predicting full field mechanical responses of heterogeneous materials

Predicting mechanical responses of heterogeneous materials across scales remains a significant challenge. Traditional computational methods often struggle with complex and multiscale nature of these materials, limiting their effectiveness in real-world applications. Here, in this paper, we introduce Micrometer, a vision transformer based deep learning model designed to predict full field mechanical responses of heterogeneous materials, bridging the gap between computer vision and solid mechanics problems. We show that Micrometer, trained on a large-scale high-resolution dataset of 2D fiber-reinforced composites, can achieve state-of-the-art performance in predicting microscale strain fields across a wide range of material properties and loading conditions. Our model demonstrates accuracy and computational efficiency in applications such as computational homogenization and multiscale modeling, reducing computational time by up to two orders of magnitude compared to conventional numerical solvers while maintaining less than 1 % errors in predicting macroscale stress fields. Furthermore, we showcase Micrometer’s adaptability through transfer learning experiments on new materials with limited data, highlighting its potential to tackle diverse scenarios in computational solid mechanics. These results represent a significant step towards AI-driven innovation in materials science, addressing the limitations of traditional numerical methods and paving the way for more efficient simulations of heterogeneous materials across various industrial applications.

Composite materials↗

Benchmark study of a new simplified DFN model for shearing of intersecting fractures and faults

It is challenging to quantitatively predict shearing of intersecting fractures/faults because of dynamic frictional contacts accompanied by possible nonlinear rock deformation. To address such challenges, a new conceptual model—the simplified DFN model—was proposed and validated by Hu et al. 46 to use major paths (MPs) to represent complicated DFNs for calculation of shearing. In this work, we conducted a benchmark study for three examples that involve different levels of complexity of intersecting fractures, and correspondingly different numbers of MPs. The codes and software that were used in the benchmark cover a range of continuum, discontinuum and hybrid numerical methods: NMM (LBNL), FLAC3D (LBNL), GBDEM (KIGAM), FRACOD (DynaFrax), and CASRock (CAS). The general consistency between DFN and MP cases as predicted by all the codes/software demonstrates that major paths can be used to simplify the geometry of DFNs in a wide range of software. Disagreement in results made by some software and potential future improvements are discussed. We show that (1) shearing of one or multiple major fractures can be reduced if there are multiple smaller intersecting fractures in that area, which is a useful basis for understanding and controlling induced seismicity and merits further analysis, and (2) the agreement achieved in the benchmark examples provide confidence that the simplified DFN model is a promising conceptual model that can be used for different types of numerical approaches and software for simplifying the analysis of the shearing of intersecting fractures and faults.

58 GEOSCIENCES↗

Physics‐based iterative reconstruction for dual‐source and flying focal spot computed tomography

Purpose For single‐source helical Computed Tomography (CT), both Filtered‐Back Projection (FBP) and statistical iterative reconstruction have been investigated. However, for dual‐source CT with flying focal spot (DS‐FFS CT), a statistical iterative reconstruction that accurately models the scanner geometry and acquisition physics remains unknown to researchers. Therefore, our purpose is to present a novel physics‐based iterative reconstruction method for DS‐FFS CT and assess its image quality. Methods Our algorithm uses precise physics models to reconstruct from the native cone‐beam geometry and interleaved dual‐source helical trajectory of a DS‐FFS CT. To do so, we construct a noise physics model to represent data acquisition noise and a prior image model to represent image noise and texture. In addition, we design forward system models to compute the locations of deflected focal spots, the dimension, and sensitivity of voxels and detector units, as well as the length of intersection between x‐rays and voxels. The forward system models further represent the coordinated movement between the dual sources by computing their x‐ray coverage gaps and overlaps at an arbitrary helical pitch. With the above models, we reconstruct images by an advanced Consensus Equilibrium (CE) numerical method to compute the maximum a posteriori estimate to a joint optimization problem that simultaneously fits all models. Results We compared our reconstruction with Siemens ADMIRE, which is the clinical standard hybrid iterative reconstruction (IR) method for DS‐FFS CT, in terms of spatial resolution, noise profile, and image artifacts through both phantoms and clinical scan datasets. Experiments show that our reconstruction has a higher spatial resolution, with a Task‐Based Modulation Transfer Function (MTF task ) consistently higher than the clinical standard hybrid IR. In addition, our reconstruction shows a reduced magnitude of image undersampling artifacts than the clinical standard. Conclusions By modeling a precise geometry and avoiding data rebinning or interpolation, our physics‐based reconstruction achieves a higher spatial resolution and fewer image artifacts with smaller magnitude than the clinical standard hybrid IR.

Wang, Xiao↗

A Segregated Approach for Modeling the Electrochemistry in the 3-D Microstructure of Li-Ion Batteries and Its Acceleration Using Block Preconditioners

Abstract Battery performance is strongly correlated with electrode microstructure. Electrode materials for lithium-ion batteries have complex microstructure geometries that require millions of degrees of freedom to solve the electrochemical system at the microstructure scale. A fast-iterative solver with an appropriate preconditioner is then required to simulate large representative volume in a reasonable time. In this work, a finite element electrochemical model is developed to resolve the concentration and potential within the electrode active materials and the electrolyte domains at the microstructure scale, with an emphasis on numerical stability and scaling performances. The block Gauss-Seidel (BGS) numerical method is implemented because the system of equations within the electrodes is coupled only through the nonlinear Butler–Volmer equation, which governs the electrochemical reaction at the interface between the domains. The best solution strategy found in this work consists of splitting the system into two blocks—one for the concentration and one for the potential field—and then performing block generalized minimal residual preconditioned with algebraic multigrid, using the FEniCS and the Portable, Extensible Toolkit for Scientific Computation libraries. Significant improvements in terms of time to solution (six times faster) and memory usage (halving) are achieved compared with the MUltifrontal Massively Parallel sparse direct Solver. Additionally, BGS experiences decent strong parallel scaling within the electrode domains. Last, the system of equations is modified to specifically address numerical instability induced by electrolyte depletion, which is particularly valuable for simulating fast-charge scenarios relevant for automotive application.

25 ENERGY STORAGE↗

Transfer of autocollimator calibration for use with scanning gantry profilometers for accurate determination of surface slope and curvature of state-of-the-art x-ray mirrors

X-ray optics, desired for beamlines at free-electron-laser and diffraction-limited-storage-ring x-ray light sources, must have almost perfect surfaces, capable of delivering light to experiments without significant degradation of brightness and coherence. To accurately characterize such optics at an optical metrology lab, two basic types of surface slope profilometers are used: The long trace profilers (LTPs) and nanometer optical measuring (NOM) like angular deflectometers, based on electronic autocollimator (AC) ELCOMAT-3000. The inherent systematic errors of the instrument's optical sensors set the principle limit to their measuring performance. Where autocollimator of a NOM-like profiler may be calibrated at a unique dedicated facility, this is for a particular configuration of distance, aperture size, and angular range that does not always match the exact use in a scanning measurement with the profiler. Here we discuss the developed methodology, experimental set-up, and numerical methods of transferring the calibration of one reference AC to the scanning AC of the Optical Surface Measuring System (OSMS), recently brought to operation at the ALS Xray Optics Laboratory. We show that precision calibration of the OSMS performed in three steps, allows us to provide high confidence and accuracy low-spatial-frequency metrology and not â€print into' measurements the inherent systematic error of tool in use. Here, with the examples of the OSMS measurements with a state-of-The-Art x-ray aspherical mirror, available from one of the most advanced vendors of X-ray optics, we demonstrate the high efficacy of the developed calibration procedure. The results of our work are important for obtaining high reliability data, needed for sophisticated numerical simulations of beamline performance and optimization of beamline usage of the optics. This work was supported by the U. S. Department of Energy under contract number DE-AC02-05CH11231.

47 OTHER INSTRUMENTATION↗

Gaussian beam decomposition of high frequency wave fields using expectation-maximization

A new numerical method for approximating highly oscillatory wave fields as a superposition of Gaussian beams is presented. The method estimates the number of beams and their parameters automatically. This is achieved by an expectation-maximization algorithm that fits real, positive Gaussians to the energy of the highly oscillatory wave fields and its Fourier transform. Beam parameters are further refined by an optimization procedure that minimizes the difference between the Gaussian beam superposition and the highly oscillatory wave field in the energy norm.

97 MATHEMATICS AND COMPUTING↗

Microwave-based laboratory experiments for internally-heated mantle convection

The thermal evolution of terrestrial planets is mainly controlled by the amount of radioactive heat sources in their mantle, and by the geometry and efficiency of solid state thermo-chemical convection within. So far, these systems have been studied using numerical methods only and cross validation by laboratory analogous experiments has not been conducted yet. To fill this gap we perform the first laboratory experiments of mantle convection driven by microwave-generated internal heating. We use a 30×30×5 cm{sup 3} experimental tank filled with 0.5 % Natrosol in water mixture (viscosity 0.6 Pa.s at 20°C). The fluid is heated from within by a microwave device that delivers a uniform volumetric heating from 10 to 70 kW/m{sup 3}; the upper boundary of the fluid is kept at constant temperature, whereas the lower boundary is adiabatic. The velocity field is determined with particle image velocimetry and the temperature field is measured using thermochromic liquid crystals which enable us to charaterize the geometry of the convective regime as well as its bulk thermal evolution. Numerical simulations, conducted using Stag-3D in 3D cartesian geometry, reproduce the experimental setup (i.e., boundary conditions, box aspect ratio, temperature dependence of physical parameters, internal heating rate). The successful comparison between the experimental and numerical results validates our approach of modelling internal heating using microwaves.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Study of stopping power for a proton moving in a plasma with arbitrary degeneracy

Excitation of bulk solid electrons with arbitrary degeneracy, by external charged particles, is investigated by a two-dimensional nonlinear quantum hydrodynamic (QHD) model. The nonlinear stopping power and wake potential are calculated by solving the nonlinear QHD equations with the flux corrected transport numerical method. Two cases of fully degenerated and partially degenerated electrons are compared and discussed in the same self-consistent QHD model. Our results are consistent with the well known dielectric calculation of the stopping power at higher velocity, but include the nonlinear terms of the interactions and give larger stopping power at smaller velocity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of a Numerical Wave Tank to Support WETS Activities, 3rd Marine Energy Technology Symposium (METS), Washington, D.C.

This paper outlines a suite of numerical methods developed to aid in the power prediction of Wave Energy Conversion (WEC) devices such as may be tested at the Navy's Wave Energy Test Site (WETS) in Hawaii. The NWT developed with the open-source OpenFOAM CFD solver has been successfully validated with well-known experimental data. Currently, work is in progress to combine drag data from CFD/SPH, WAMIT output and wave climate data at the site into a single time domain framework, to efficiently predict WEC power performance.

16 TIDAL AND WAVE POWER↗

PRISMS-PF: A general framework for phase-field modeling with a matrix-free finite element method

Abstract A new phase-field modeling framework with an emphasis on performance, flexibility, and ease of use is presented. Foremost among the strategies employed to fulfill these objectives are the use of a matrix-free finite element method and a modular, application-centric code structure. This approach is implemented in the new open-source PRISMS-PF framework. Its performance is enabled by the combination of a matrix-free variant of the finite element method with adaptive mesh refinement, explicit time integration, and multilevel parallelism. Benchmark testing with a particle growth problem shows PRISMS-PF with adaptive mesh refinement and higher-order elements to be up to 12 times faster than a finite difference code employing a second-order-accurate spatial discretization and first-order-accurate explicit time integration. Furthermore, for a two-dimensional solidification benchmark problem, the performance of PRISMS-PF meets or exceeds that of phase-field frameworks that focus on implicit/semi-implicit time stepping, even though the benchmark problem’s small computational size reduces the scalability advantage of explicit time-integration schemes. PRISMS-PF supports an arbitrary number of coupled governing equations. The code structure simplifies the modification of these governing equations by separating their definition from the implementation of the numerical methods used to solve them. As part of its modular design, the framework includes functionality for nucleation and polycrystalline systems available in any application to further broaden the phenomena that can be used to study. The versatility of this approach is demonstrated with examples from several common types of phase-field simulations, including coarsening subsequent to spinodal decomposition, solidification, precipitation, grain growth, and corrosion.

36 MATERIALS SCIENCE↗

SU-E-CAMPUS-J-04: Image Guided Radiation Therapy (IGRT): Review of Technical Standards and Credentialing in Radiotherapy Clinical Trials

Purpose: To review IGRT credentialing experience and unexpected technical issues encountered in connection with advanced radiotherapy technologies as implemented in RTOG clinical trials. To update IGRT credentialing procedures with the aim of improving the quality of the process, and to increase the proportion of IGRT credentialing compliance. To develop a living disease site-specific IGRT encyclopedia. Methods: Numerous technical issues were encountered during the IGRT credentialing process. The criteria used for credentialing review were based on: image quality; anatomy included in fused data sets and shift results. Credentialing requirements have been updated according to the AAPM task group reports for IGRT to ensure that all required technical items are included in the quality review process. Implementation instructions have been updated and expanded for recent protocols. Results: Technical issues observed during the credentialing review process include, but are not limited to: poor quality images; inadequate image acquisition region; poor data quality; shifts larger than acceptable; no soft tissue surrogate. The updated IGRT credentialing process will address these issues and will also include the technical items required from AAPM: TG 104; TG 142 and TG 179 reports. An instruction manual has been developed describing a remote credentialing method for reviewers. Submission requirements are updated, including images/documents as well as facility questionnaire. The review report now includes summary of the review process and the parameters that reviewers check. We have reached consensus on the minimum IGRT technical requirement for a number of disease sites. RTOG 1311(NRG-BR002A Phase 1 Study of Stereotactic Body Radiotherapy (SBRT) for the Treatment of Multiple Metastases) is an example, here; the protocol specified the minimum requirement for each anatomical sites (with/without fiducials). Conclusion: Technical issues are identified and reported. IGRT guidelines are updated, with the corresponding credentialing requirements. An IGRT encyclopedia describing site-specific implementation issues is currently in development.

60 APPLIED LIFE SCIENCES↗

Investigations of Beam Dynamics Issues at Current and Future Hadron Accelerators (Final Report)

There is a synergy between the fields of Beam Dynamics (BD) in modern particle accelerators and Applied Mathematics (AMa). We have formulated significant problems in BD and have developed and applied tools within the contexts of dynamical systems, topological methods, numerical analysis and scientific computing, probability and stochastic processes, and mathematical statistics. We summarize the three main areas of our AMa work since 2011. First, we continued our study of Vlasov-Maxwell systems. Previously, we developed a state of the art algorithm and code (VM3@A) to calculate coherent synchrotron radiation in single pass systems. In this cycle we carefully analyzed the major expense, namely the integral-over-history (IOH), and developed two approaches to speed up integration. The first strategy uses a representation of the Bessel function J0 in terms of exponentials. The second relies on “local sequences” developed recently for radiation boundary conditions, which are used to reduce computational domains. Although motivated by practicality, both strategies involve interesting and rather deep analysis and approximation theory. As an alternative to VM3@A, we are integrating Maxwell’s equations by a time-stepping method, bypass- ing the IOH, using a Discontinuous Galerkin (DG) method. DG is a generalization of Finite Element and Finite Volume methods. It is spectrally convergent, unlike the commonly used Finite Difference methods, and can handle complicated vacuum chamber geometries. We have applied this in several contexts and have obtained very nice results including an explanation of an experiment at the Canadian Light Source, where the geometry is quite complex. Second, we continued our study of spin dynamics in storage rings. There is much current and proposed activity where spin polarized beams are being used in testing the Standard Model and its modifications. Our work has focused on invariant spin fields (ISFs) and amplitude dependent spin tunes (ADSTs), which are essential for estimating beam polarization. Several algorithms have been developed since the 1980s for computing the ISF, among them the Heinemann- Hoffstaetter method of stroboscopic averaging (SA) which is implemented in the code SPRINT. SA, which computes the ISF by using spin tracking data, can find the ISF to computer precision if it exists and thus can give evidence for existence of the ISF. Central to our work is resolving the ISF conjecture, which says that, off orbital resonance, an ISF exists. Thus Heinemann developed, in his 2010 PhD thesis, a new framework which unifies and generalizes the notions of ISF and ADST by using bundle theory. This lead to a long paper which was a major collaborative effort during the recent cycle. In a nutshell, our bundle approach elegantly unifies the dynamics of spin-1/2 and spin-1 particles, e.g., protons and deuterons. In fact it is well known that these two kinds of dynamics are driven by the same spin transfer matrix and in our approach one sees the deeper reason for this: the spin transfer matrix carries the natural dynamics of a principal bundle whereas the difference between the spin-1/2 and spin-1 dynamics lies in their different geometrical situation, i.e., different underlying associated bundles. Thus one arrives at new results for polarized beams, among them the Invariant Reduction Theorem (IRT) and the Cross Section Theorem (CST). The IRT gives a necessary and sufficient condition for the ISF to exist. The SA technique revealed, 20 years ago, that each ISF can be viewed as a complex agglomerate of spin tracking data. The bundle approach goes one step further by using the IRT and the CST to glue spin tracking data into agglomerates which are candidates for ISFs. We gain insight because the “good” agglomerates, in the presence of an ISF, are very different from the “bad” ones. Finally we mention that the bundle approach has analogies to the approach used in geometrical Yang-Mills theory. Third, we studied X-Ray Free Electron Lasers (FELs), which are electron accelerators producing coherent undulator radiation over a wide range of frequencies from microwaves to x-rays. The photon beams produced in FEL undulators are used to study material samples in biology, material science etc. We developed a mathematical analysis, based on the 6D Lorentz system, of energetic electrons moving through a planar undulator excited by a Maxwell traveling wave field of wavelength λ. Our Method of Averaging perturbation analysis yields non-resonant and near-to-resonant normal form approximations as a function of λ, which we present in two averaging theorems. We prove the theorems in detail, error bounds and giving a tutorial on mathematically rigorous perturbation theory in a context where proofs are easily understood. To our knowledge the planar problem has not been analyzed with the generality here nor has the standard FEL pendulum system, which appears on resonance, been derived with error bounds. In addition to the domains of validity of the normal forms we obtain new insights that require further study, including a more general low gain theory. With a firm foundation in the non-collective case above we are studying the 3D collective case from start up from noise to high gain and saturation. We have formulated the noise start up as a problem of going from the microscopic Klimontovich-Maxwell to the macroscopic Vlasov-Maxwell with a Vlasov correction term. In the 1D setting, we seek an alternative to the phenomenological Vlasov approach which models shot noise by a perturbation on an initial “smooth” density. The 1D wave equation with a Klimontovich source is often the starting point for the 1D FEL high gain theory. We have a new representation of solutions which may lead to new insights.

43 PARTICLE ACCELERATORS↗

Rayleigh–Taylor and Richtmyer–Meshkov instability induced flow, turbulence, and mixing. II

Rayleigh–Taylor (RT) and Richtmyer–Meshkov(RM) instabilities are well-known pathways towards turbulent mixing layers, in many cases characterized by significant mass and species exchange across the mixing layers (Zhou, 2017. Physics Reports, 720–722, 1–136). Mathematically, the pathway to turbulent mixing requires that the initial interface be multimodal, to permit cross-mode coupling leading to turbulence. Practically speaking, it is difficult to experimentally produce a non-multi-mode initial interface. Numerous methods and approaches have been developed to describe the late, multimodal, turbulent stages of RT and RM mixing layers. This paper first presents the initial condition dependence of RT mixing layers, and introduces parameters that are used to evaluate the level of “mixedness” and “mixed mass” within the layers, as well as the dependence on density differences, as well as the characteristic anisotropy of this acceleration-driven flow, emphasizing some of the key differences between the two-dimensional and three-dimensional RT mixing layers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Resolving the biophysics of axon transmembrane polarization in a single closed-form description

When a depolarizing event occurs across a cell membrane there is a remarkable change in its electrical properties. A complete depolarization event produces a considerably rapid increase in voltage that propagates longitudinally along the axon and is accompanied by changes in axial conductance. A dynamically changing magnetic field is associated with the passage of the action potential down the axon. Over 75 years of research has gone into the quantification of this phenomenon. To date, no unified model exist that resolves transmembrane polarization in a closed-form description. Here, a simple but formative description of propagated signaling phenomena in the membrane of an axon is presented in closed-form. The focus is on using both biophysics and mathematical methods for elucidating the fundamental mechanisms governing transmembrane polarization. The results presented demonstrate how to resolve electromagnetic and thermodynamic factors that govern transmembrane potential. Computational results are supported by well-established quantitative descriptions of propagated signaling phenomena in the membrane of an axon. The findings demonstrate how intracellular conductance, the thermodynamics of magnetization, and current modulation function together in generating an action potential in a unified closed-form description. The work presented in this paper provides compelling evidence that three basic factors contribute to the propagated signaling in the membrane of an axon. It is anticipated this work will compel those in biophysics, physical biology, and in the computational neurosciences to probe deeper into the classical and quantum features of membrane magnetization and signaling. It is hoped that subsequent investigations of this sort will be advanced by the computational features of this model without having to resort to numerical methods of analysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Inertia-driven particle migration and mixing in a wall-bounded laminar suspension flow

Laminar pressure-driven suspension flows are studied in the situation of neutrally buoyant particles at finite Reynolds number. The numerical method is validated for homogeneous particle distribution (no lateral migration across the channel): the increase of particle slip velocities and particle stress with inertia and concentration is in agreement with former works in the literature. In the case of a two-phase channel flow with freely moving particles, migration towards the channel walls due to the Segré-Silberberg effect is observed, leading to the development of a non-uniform concentration profile in the wall-normal direction (the concentration peaks in the wall region and tends towards zero in the channel core). The particle accumulation in the region of highest shear favors the shear-induced particle interactions and agitation, the profile of which appears to be correlated to the concentration profile. A 1D model predicting particle agitation, based on the kinetic theory of granular flows in the quenched state regime when Stokes number St = O(1) and from numerical simulations when St < 1, fails to reproduce the agitation profile in the wall normal direction. Instead, the existence of secondary flows is clearly evidenced by long time simulations. These are composed of a succession of contra-rotating structures, correlated with the development of concentration waves in the transverse direction. The mechanism proposed to explain the onset of this transverse instability is based on the development of a lift force induced by spanwise gradient of the axial velocity fluctuations. The establishment of the concentration profile in the wall-normal direction therefore results from the combination of the mean flow Segré-Silberberg induced migration, which tends to stratify the suspension and secondary flows which tend to mix the particles over the channel cross section.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On the characteristics of the wake of a wind turbine undergoing large motions caused by a floating structure: an insight based on experiments and multi-fidelity simulations from the OC6 project Phase III

This study reports the results of the second round of analyses of the Offshore Code Comparison, Collaboration, Continued, with Correlation and unCertainty (OC6) project Phase III. While the first round investigated rotor aerodynamic loading, here, focus is given to the wake behavior of a floating wind turbine under large motion. Wind tunnel experimental data from the UNsteady Aerodynamics for FLOating Wind (UNAFLOW) project are compared with the results of simulations provided by participants with methods and codes of different levels of fidelity. The effect of platform motion on both the near and the far wake is investigated. More specifically, the behavior of tip vortices in the near wake is evaluated through multiple metrics, such as streamwise position, core radius, convection velocity, and circulation. Additionally, the onset of velocity oscillations in the far wake is analyzed because this can have a negative effect on stability and loading of downstream rotors. Results in the near wake for unsteady cases confirm that simulations and experiments tend to diverge from the expected linearized quasi-steady behavior when the rotor reduced frequency increases over 0.5. Additionally, differences across the simulations become significant, suggesting that further efforts are required to tune the currently available methodologies in order to correctly evaluate the aerodynamic response of a floating wind turbine in unsteady conditions. Regarding the far wake, it is seen that, in some conditions, numerical methods overpredict the impact of platform motion on the velocity fluctuations. Moreover, results suggest that the effect of platform motion on the far wake, differently from original expectations about a faster wake recovery in a floating wind turbine, seems to be limited or even oriented to the generation of a wake less prone to dissipation.

17 WIND ENERGY↗

RELAP-7 Development Updates

RELAP-7 is a nuclear systems safety analysis code being developed at the Idaho National Laboratory, and is the next generation tool in the RELAP reactor safety/systems analysis application series. RELAP-7 development began in 2011 to support the Risk Informed Safety Margins Characterization (RISMC) Pathway of the Light Water Reactor Sustainability (LWRS) program. The overall design goal of RELAP-7 is to take advantage of the previous thirty years of advancements in computer architecture, software design, numerical methods, and physical models in order to provide capabilities needed for the RISMC methodology and to support nuclear power safety analysis. The code is being developed based on Idaho National Laboratory’s modern scientific software development framework – MOOSE (the Multi-Physics Object-Oriented Simulation Environment). The initial development goal of the RELAP-7 approach focused primarily on the development of an implicit algorithm capable of strong (nonlinear) coupling of the dependent hydrodynamic variables contained in the 1-D/2-D flow models with the various 0-D system reactor components that compose various boiling water reactor (BWR) and pressurized water reactor nuclear power plants (NPPs). During Fiscal Year (FY) 2015, the RELAP-7 code has been further improved with expanded capability to support boiling water reactor (BWR) and pressurized water reactor NPPs analysis. The accumulator model has been developed. The code has also been coupled with other MOOSE-based applications such as neutronics code RattleSnake and fuel performance code BISON to perform multiphysics analysis. A major design requirement for the implicit algorithm in RELAP-7 is that it is capable of second-order discretization accuracy in both space and time, which eliminates the traditional first-order approximation errors. The second-order temporal is achieved by a second-order backward temporal difference, and the one-dimensional second-order accurate spatial discretization is achieved with the Galerkin approximation of Lagrange finite elements. During FY-2015, we have done numerical verification work to verify that the RELAP-7 code indeed achieves 2nd-order accuracy in both time and space for single phase models at the system level.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Combining Push-Forward Measures and Bayes' Rule to Construct Consistent Solutions to Stochastic Inverse Problems

We formulate, and present a numerical method for solving, an inverse problem for inferring parameters of a deterministic model from stochastic observational data on quantities of interest. The solution, given as a probability measure, is derived using a Bayesian updating approach for measurable maps that finds a posterior probability measure, that when propagated through the deterministic model produces a push-forward measure that exactly matches the observed probability measure on the data. Our approach for finding such posterior measures, which we call consistent Bayesian inference or push-forward based inference, is simple and only requires the computation of the push-forward probability measure induced by the combination of a prior probability measure and the deterministic model. We establish existence and uniqueness of observation-consistent posteriors and present both stability and error analyses. We also discuss the relationships between consistent Bayesian inference, classical/statistical Bayesian inference, and a recently developed measure-theoretic approach for inference. Finally, analytical and numerical results are presented to highlight certain properties of the consistent Bayesian approach and the differences between this approach and the two aforementioned alternatives for inference.

97 MATHEMATICS AND COMPUTING↗