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At least 109 records · Page 6

FY12 Quarter 3 Computing Utilization Report – LANL

DSW continues to dominate the capacity workload, with a focus in Q3 on common model baselining runs in preparation for the Annual Assessment Review (AAR) of the weapon systems. There remains unmet demand for higher fidelity simulations, and for increased throughput of simulations. Common model baselining activities would benefit from doubling the resolution of the models and running twice as many simulations. Capacity systems were also utilized during the quarter to prepare for upcoming Level 2 milestones. Other notable DSW activities include validation of new physics models and safety studies. The safety team used the capacity resources extensively for projects involving 3D computer simulations for the Furrow series of experiments at DARHT (a Level 2 milestone), fragment impact, surety theme, PANTEX assessments, and the 120-day study. With the more than tripling of classified capacity computing resources with the addition of the Luna system and the safety team's imminent access to the Cielo system, demand has been met for current needs. The safety team has performed successful scaling studies on Luna up to 16K PE size-jobs with linear scaling, running the large 3D simulations required for the analysis of Furrow. They will be investigating scaling studies on the Cielo system with the Lustre file system in Q4. Overall average capacity utilization was impacted by negative effects of the LANL Voluntary Separation Program (VSP) at the beginning of Q3, in which programmatic staffing was reduced by 6%, with further losses due to management backfills and attrition, resulting in about 10% fewer users. All classified systems were impacted in April by a planned 2 day red network outage. ASC capacity workload continues to focus on code development, regression testing, and verification and validation (V&V) studies. Significant capacity cycles were used in preparation for a JOWOG in May and several upcoming L2 milestones due in Q4. A network transition has been underway on the unclassified networks to increase access of all ASC users to the unclassified systems through the Yellow Turquoise Integration (YeTI) project. This will help to alleviate the longstanding shortage of resources for ASC unclassified code development and regression testing, and also make a broader palette of machines available to unclassified ASC users, including PSAAP Alliance users. The Moonlight system will be the first capacity resource to be made available through the YETI project, and will make available a significant increase in cycles, as well as GPGPU accelerator technology. The Turing and Lobo machines will be decommissioned in the next quarter. ASC projects running on Cielo as part of the CCC-3 include turbulence, hydrodynamics, burn, asteroids, polycrystals, capability and runtime performance improvements, and materials including carbon and silicone.

43 PARTICLE ACCELERATORS↗

A Systematic Method for Verification and Validation of Gyrokinetic Microstability Codes

My original proposal for the period Feb. 15, 2014 through Feb. 14, 2017 called for an integrated validation and verification effort carried out by myself with collaborators. The validation component would require experimental profile and power-balance analysis. In addition, it would require running the gyrokinetic codes varying the input profiles within experimental uncertainties to seek agreement with experiment before discounting a code as invalidated. Therefore, validation would require a major increase of effort over my previous grant periods which covered only code verification (code benchmarking). Consequently, I had requested full-time funding. Instead, I am being funded at somewhat less than half time (5 calendar months per year). As a consequence, I decided to forego the validation component and to only continue the verification efforts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dissertation Proposal: Innovations in Pulsed Power and Plasma Science Theory Simulation and Experiment

Pulsed power and plasma physics are topics of great study at both Sandia National Laboratories (SNL or Sandia) and the University of New Mexico (UNM). The goal of this research is to further knowledge and understanding of these fields using the resources of both SNL and UNM in three ways. The first way is through the comprehension, application, and testing of theory. Reading and analytically deriving theoretical solutions of problems both real-world and simplified will allow for a fresh perspective and the furthering of the theory. One such theory is Ottinger's generalized theory for voltage measurement in magnetically insulated transmission lines (MITLs). By working through the math, a deeper understanding of the theory is gained from which one may add more physically accurate and/or more detailed physics into the theory. Additionally, understanding the theory lays a good foundation from which one can analyze, test, and compare results to the theory in the following two ways that will advance the fields of pulsed power and plasma physics. The second way is through the modeling and simulation of real-world and simplified problems that utilize and test the afore mentioned theories. Theory can be applied to a simulation domain by using the unstructured time-domain electromagnetic (UTDEM) codes EMPHASIS and EMPIRE as well as the physical modeling software CUBIT, all of which were developed at SNL. Problems such as the modeling and design of the extended MITL on HERMES III, the understanding of space-charge-limited emission from vacuum cathodes, and the interaction between a relativistic electron beam and an ideal gas can all be modeled, simulated, and analyzed with this set of codes. Here the advantage is three-fold. Firstly, theory that describes our understanding of these problems can be put to the test and advanced through iterative simulation and analysis. Secondly, the understanding of these problems will have a positive impact on national security through the advancement of the technological capability of the United States of America. Thirdly, and not unrelated to the prior advantage, is the validation and verification of EMPIRE and EMPHASIS. This segues into the third way, which is through experiment and the comparison of experiment to simulated and theoretical results. Performing experimental comparisons completes the scientific method and grounds all of the work in reality. Being able to physically test theory and simulation is necessary for any real conclusions to be drawn. Another advantage for carrying out experimental work is to advance the physical testing capabilities of SNL. Several systems will be developed and tested through the course of this work that positively impact technological advancement of Sandia National Labs. Lastly, all of the above work will converge to yield a well-rounded perspective that ties the three categories of research together.

42 ENGINEERING↗

Resilience Through Data-Driven, Intelligent Designed Control: A Formal Methods Approach

The PNNL and GTRI team developed a strategy to integrate temporal logic rule specification for detection of cyber-intrusion in the source code and control algorithms of CPS using advanced cyber-data. The GTRI team utilized its capabilities in rule synthesis and temporal logic specifications for software assurance and verification to detect and predict impact of cyber-intrusions and malware in the computational and control algorithms of cyber-physical systems. The team also developed a testing and verification approach that could be used to validate the suggested approach against a realistic use-case CPS showcasing improvements in system impact prediction performance. Temporal logic offers a compact expression of events in absolute and relative time and has a formalized translation to state machines. As such, temporal logic rules can feasibly be synthesized to any system as a rule engine, with the process being formally verified to be correct. The goal here is to utilize temporal logic rules to detect cyber-attacks and manipulations in the computational algorithms and provide real-time software assurance and verification guarantees.

97 MATHEMATICS AND COMPUTING↗

The ASC-V&V Program [Slides]

The fundamental goal of the ASC-V&V Program is to obtain a quantitative understanding of our customers’ needs and priorities, and use it to assess applicability of numerical models of physical phenomena to physics questions, sensitivity of physics questions to physical phenomena, fidelity of a numerical implementation to the theory, the bounds of validity of theories, fidelity and coverage of experimental data relative to regimes of interest for physics questions, in order to warn users of IC codes and PEM data when simulations may lead to unsupported conclusions, and provide estimates of uncertainties on figures of merit calculated by the simulations.

97 MATHEMATICS AND COMPUTING↗

Center for Momentum Transport and Flow Organization in Plasmas and Magnetofluids (CMTFO)

The CMTFO funding partially supports a junior researcher and a graduate student at UCI. During this project, we have further developed the global gyrokinetic particle code GTC to study the momentum transport in tokamak driven by electrostatic ion temperature gradient (ITG) turbulence [1] with kinetic electrons and by collisionless trapped electron mode (CTEM) turbulence [2]. We have also upgraded GTC for fully electromagnetic simulation and for linear plasma configuration with verification and validation of the electron temperature gradient (ETG) turbulence in Columbia Linear Machine. The followings are the highlights on the physics results reported in the key publications of this project.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Stochastic Richardson Extrapolation Based Numerical Error Estimation for Kinetic Plasma Simulations

We present a numerical error estimation technique specifically formulated to deal with stochastic code output with multiple discretization parameters. This method is based on multiple fits to an error model with arbitrary convergence rates and cross-coupling terms, performed using nonlinear optimization. The fitting approach varies by the type of residual norm which influences the importance of outliers, and weights which influences the relative importance of data points in the coarse and refined regions of discretization parameter space. To account for the influence of stochastic noise, these fits are performed on multiple bootstrap values based on the underlying response data set. Using an automated discretization domain selection scheme, the fits are performed on a series of reduced sets of discretization levels in order to find an optimal fully-converged result estimate in the minimum variance sense; this automated approach enables straightforward analysis of multiple quantities of interest and/or time and spatially-dependent response data. The overall numerical error analysis method is useful for verification and validation problems for stochastic simulation methods and forms a key component in the overall uncertainty quantification process. The method was demonstrated for steady and unsteady electron diode problems simulated using a particle-in-cell kinetic plasma code, demonstrating excellent results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development and Testing of Nuclear Data Libraries for Improved Energy Deposition Modeling - Paper 144

Accurate calculations of local energy deposition rates require the presence of gamma production data (GPD) in the nuclear data library used by radiation transport codes such as MCNP5, MONACO, or Denovo. The lack of GPD in the underlying nuclear data library can cause significant over-prediction of local heat generation rates with a corresponding under-prediction of heat generation rates away from a region of interest. To address this concern, continuous energy (CE) and multigroup (MG) cross section libraries with additional GPD have been created. Both ACE- and AMPX-formatted CE libraries, as well as ANISN- and AMPX-formatted MG libraries, have been created and are undergoing verification and validation (V and V) testing. A hybrid data set consisting of cross-section evaluations from five different nuclear data repositories has been developed. This hybrid data set, referred to as GPD-Rev0, is intended to support enhanced energy deposition calculations. Code-specific libraries in CE ACE, CE AMPX, MG AMPX, and MG ANISN formats have been created from the GPD-Rev0 data set. V and V testing has demonstrated that these various code-specific libraries are performing well for the intended applications. Localized over- and under-predictions of HFIR heating rates have been addressed without adversely affecting the prediction of other key operating parameters. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

Development and Validation of a Two-Phase Thermal-Hydraulic CFD Code NEK-2P

A project is underway to develop, verify and validate an advanced two-phase flow modeling capability for the highly-scalable, high-performance Computational Fluid Dynamics (CFD) code NEK5000. The goal of this work is to verify and validate the two-phase version of the NEK5000 code, named NEK-2P, to simulate the two-phase flow and heat transfer phenomena that occur in a Boiling Water Reactor (BWR) fuel bundle under various operating conditions. The NEK-2P two-phase flow models follow the approach used for the Extended Boiling Framework (EBF) previously developed at Argonne but include more fundamental physical models of boiling phenomena and advanced numerical algorithms for improved computational accuracy, robustness, and computational speed. The development of the NEK-2P two-phase solver and the implementation of the Extended Boiling Framework two-phase models were initially supported by Argonne National Laboratory (Argonne) through a Laboratory Directed Research and Development (LDRD) project during FY2014-2016. The development and validation of the two-phase models through analyses of selected two-phase boiling flow experiments was supported by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in FY2017-2020. This report focuses on verification and validation of the water-steam boiling model NEK-2P Two-Phase, CFD code. The NEK-2P was validated with Nuclear Power Engineering Corporation (NUPEC) Pressurized Water Reactor (PWR) Sub-channel and Bundle Test (PSBT) void distribution benchmark. Three different simulations were performed and analyzed for various operating conditions such as wall-heat flux and sub-cooled inlet temperatures. Reasonably good agreement with measured data was obtained in predicting the measured void distributions. Simulations were performed for Virginia Tech. (VT) 3x3 rod bundle geometry with and without spacers. The preliminary results were presented for Simplified Spacer Grid (SSG). In addition, the implementation of interface reconstruction model was tested with one of the Becker benchmark Critical Heat Flux (CHF) experiments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Initial 1.5D BISON Simulation Verification and Validation CASL FY17 Letter Report

This milestone report describes the current efforts to improve the usability of the recently developed 1.5 dimensional capability in BISON, the initial verification of this BISON capability, and initial validation of the 1.5 dimensional models against existing 2 dimensional axisymmetric full length light water reactor (LWR) fuel rods. The 1.5 dimensional (1.5D) capability in BISON was developed to enable the simulation of LWR fuel rods in a less computationally demanding simulation formulation while retaining key physics of interest. BISON was originally developed to solve 2D axisymmetric and 3D models, and this original development focus allows BISON to examine a wider range of fuel types and geometrically complexity than can be solved with lower dimensional frameworks. As the set of problems which BISON is used to solve expands, the software design requirements continue to evolve. Coupling physics in a higher dimensional geometry is not always required to resolve the physics of interest, such as the modeling of radial heat transfer and radial displacement. BISON, built on the dimension-agnostic MOOSE framework, is able to solve problems in 3D, 2D, and 1D with only minor modifications to the material definition code so that the appropriate geometrical representation can be applied in different problems of interest. The motivation for the development and validation of the BISON 1.5D capability is the CASL program's need for a simplified and computationally efficient version of BISON for use in the large multi-physics VERA simulations which include hundreds of individual fuel rods. The original development of the BISON 1.5D simulation capability is described in the CASL FY17 Letter Report from January 2017, and this report documents the continuing work identified in the previous report. The improvements to the usability of the 1.5D capability through input file simplifications, the results of the verification simulations, the results of the initial validation against the 2D assessment cases in BISON, and the future development needs are included within this report.

1.5D Capability↗

An Analytic Benchmark for Neutron Boltzmann Transport with Downscattering—Part I: Flux and Eigenvalue Solutions

Computing in the energy dimension is one of the greatest challenges confronting present-day deterministic neutron transport solvers. Accurately resolving the neutron flux as neutrons downscatter across resonances in the nuclear cross sections currently requires considerable computing power and suffers from approximation errors. Flux uncertainty resulting from the uncertainty of the resonance structure is the single-largest cause of reactivity uncertainty. Any additional reference solution for the critical neutron downscattering problem with resonance phenomena would be a boon to verification and validation of neutronics codes. This paper establishes a benchmark to verify the accuracy of neutron transport criticality solvers along the energy dimension. For the first time, the analytic solution of the flux amplitude is derived in the particular case of an infinite homogeneous medium with isotropic scattering in the center of mass and an arbitrary number of no-threshold, neutral particle reaction resonances (e.g., radiative capture, fission, and resonance scattering). Furthermore, original analytic expressions are established to quantify the discrepancy between the ψ k (E) and ψ α (E) flux amplitudes, respective solutions of the multiplication factor k, or the exponential time-evolution frequency α eigenproblems. The physical study of these relations led to analysis of their first-order relative difference near the criticality condition α=0. Finally, numerical solutions are provided to a benchmark problem constituted of the first resonance of 239 Pu, the 6.67-eV resonance of 238 U, and a scattering isotope with a flat cross section, allowing for the computational verification of the energy resolution of current neutron transport criticality codes. Through these novel results, this analytic benchmark can serve as a reference to verify the energy resolution and sensitivity analysis of neutron transport criticality calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Synthetic Diagnostics Platform for Fusion Plasma and a Two-Dimensional Synthetic Electron Cyclotron Emission Imaging Code

Magnetic confinement fusion is one of the most promising approaches to achieve fusion energy. With the rapid increase of the computational power over the past decades, numerical simulation have become an important tool to study the fusion plasmas. Eventually, the numerical models will be used to predict the performance of future devices, such as the International Thermonuclear Experiment Reactor (ITER) or DEMO. However, the reliability of these models needs to be carefully validated against experiments before the results can be trusted. The validation between simulations and measurements is hard particularly because the quantities directly available from both sides are different. While the simulations have the information of the plasma quantities calculated explicitly, the measurements are usually in forms of diagnostic signals. The traditional way of making the comparison relies on the diagnosticians to interpret the measured signals as plasma quantities. The interpretation is in general very complicated and sometimes not even unique. In contrast, given the plasma quantities from the plasma simulations, we can unambiguously calculate the generation and propagation of the diagnostic signals. These calculations are called synthetic diagnostics, and they enable an alternate way to compare the simulation results with the measurements. In this dissertation, we present a platform for developing and applying synthetic diagnostic codes. Three diagnostics on the platform are introduced. The reflectometry and beam emission spectroscopy diagnostics measure the electron density, and the electron cyclotron emission diagnostic measures the electron temperature. The theoretical derivation and numerical implementation of a new two dimensional Electron cyclotron Emission Imaging code is discussed in detail. This new code has shown the potential to address many challenging aspects of the present ECE measurements, such as runaway electron effects, and detection of the cross phase between the electron temperature and density fluctuations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Improving Limit Surface Search Algorithms in RAVEN Using Acceleration Schemes: Level II Milestone

The RAVEN code is becoming a comprehensive tool to perform Probabilistic Risk Assessment (PRA); Uncertainty Quantification (UQ) and Propagation; and Verification and Validation (V&V). The RAVEN code is being developed to support the Risk-Informed Safety Margin Characterization (RISMC) pathway by developing an advanced set of methodologies and algorithms for use in advanced risk analysis. The RISMC approach uses system simulator codes applied to stochastic analysis tools. The fundamental idea behind this coupling approach to perturb (by employing sampling strategies) timing and sequencing of events, internal parameters of the system codes (i.e., uncertain parameters of the physics model) and initial conditions to estimate values ranges and associated probabilities of figures of merit of interest for engineering and safety (e.g. core damage probability, etc.). This approach applied to complex systems such as nuclear power plants requires performing a series of computationally expensive simulation runs. The large computational burden is caused by the large set of (uncertain) parameters characterizing those systems. Consequently, exploring the uncertain/parametric domain, with a good level of confidence, is generally not affordable, considering the limited computational resources that are currently available. In addition, the recent tendency to develop newer tools, characterized by higher accuracy and larger computational resources (if compared with the presently used legacy codes, that have been developed decades ago), has made this issue even more compelling. In order to overcome to these limitations, the strategy for the exploration of the uncertain/parametric space needs to use at best the computational resources focusing the computational effort in those regions of the uncertain/parametric space that are “interesting” (e.g., risk-significant regions of the input space) with respect the targeted Figures Of Merit (FOM): for example, the failure of the system, subject of the analysis. These methodologies are named, in the RAVEN environment, adaptive sampling strategies. These methodologies infer system responses from surrogate models constructed from already existing samples (produced using high fidelity simulations) and suggest the most relevant location (coordinate in the input space) of the next sampling point to be explored in the uncertain/parametric domain. When using those methodologies, it is possible to understand features of the system response with a small number of carefully selected samples. This report focuses on the development and improvement of the limit surface search. The limit surface is an important concept in system reliability analysis. Without going into the details, which will be covered later in the report, the limit surface could be briefly described as an hyper-surface in the system uncertainty/parametric space separating the regions leading to a prescribed system outcome. For example, if the uncertainty/parametric space is the one generated by the reactor power level and the duration of the batteries, the system is a nuclear power plant and the system outcome discriminating variable is the clad failure in a station blackout scenario, then the limit surface separates the combinations of reactor power level and battery duration that lead to clad failure from the ones that do not.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Validation of COG10 and ENDFB6R7 on the Auk Workstation for General Application to Plutonium Systems

The COG 10 code package1 on the Auk workstation is now validated with the ENBFB6R7 neutron cross section library for general application to plutonium (Pu) systems by comparison of the calculated keffective to the expected keffective of several relevant experimental benchmarks. This validation is supplemental to the installation and verification of COG 10 on the Auk workstation2.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Progress Towards A New CTH Code Verification & Validation Test Suite

The CTH multiphysics hydrocode is used in a wide variety of important calculations. An essential part of ensuring hydrocode accuracy and credibility is thorough code verification and validation (V&V). In the past, CTH V&V work (particularly verification) has not been consistently well documented. In FY19, we have made substantial progress towards addressing this need. In this report, we present a new CTH V&V test suite composed of traditional hydrocode verification problems used by similar ASC codes as well as validation problems for some of the most frequently used materials models and capabilities in CTH. For the verification problems, we present not only results and computed errors, but also convergence rates. Validation problems include mesh refinement studies, providing evidence that results are converging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computational solution verification and validation applied to a thermal model of a ruggedized instrumentation package

This study details a methodology for quantification of errors and uncertainties of a finite element heat transfer model applied to a Ruggedized Instrumentation Package (RIP). The proposed verification and validation (V&V) process includes solution verification to examine errors associated with the code's solution techniques, and model validation to assess the model's predictive capability for quantities of interest. The model was subjected to mesh resolution and numerical parameters sensitivity studies to determine reasonable parameter values and to understand how they change the overall model response and performance criteria. To facilitate quantification of the uncertainty associated with the mesh, automatic meshing and mesh refining/coarsening algorithms were created and implemented on the complex geometry of the RIP. Automated software to vary model inputs was also developed to determine the solution’s sensitivity to numerical and physical parameters. The model was compared with an experiment to demonstrate its accuracy and determine the importance of both modelled and unmodelled physics in quantifying the results' uncertainty. An emphasis is placed on automating the V&V process to enable uncertainty quantification within tight development schedules.

97 MATHEMATICS AND COMPUTING↗

Evaluation of the concrete shield compositions from the 2010 criticality accident alarm system benchmark experiments at the CEA Valduc SILENE facility

In October 2010, a series of benchmark experiments were conducted at the French Commissariat a l'Energie Atomique et aux Energies Alternatives (CEA) Valduc SILENE facility. These experiments were a joint effort between the United States Department of Energy Nuclear Criticality Safety Program and the CEA. The purpose of these experiments was to create three benchmarks for the verification and validation of radiation transport codes and evaluated nuclear data used in the analysis of criticality accident alarm systems. This series of experiments consisted of three single-pulsed experiments with the SILENE reactor. For the first experiment, the reactor was bare (unshielded), whereas in the second and third experiments, it was shielded by lead and polyethylene, respectively. The polyethylene shield of the third experiment had a cadmium liner on its internal and external surfaces, which vertically was located near the fuel region of SILENE. During each experiment, several neutron activation foils and thermoluminescent dosimeters (TLDs) were placed around the reactor. Nearly half of the foils and TLDs had additional high-density magnetite concrete, high-density barite concrete, standard concrete, and/or BoroBond shields. CEA Saclay provided all the concrete, and the US Y-12 National Security Complex provided the BoroBond. Measurement data from the experiments were published at the 2011 International Conference on Nuclear Criticality (ICNC 2011) and the 2013 Nuclear Criticality Safety Division (NCSD 2013) topical meeting. Preliminary computational results for the first experiment were presented in the ICNC 2011 paper, which showed poor agreement between the computational results and the measured values of the foils shielded by concrete. Recently the hydrogen content, boron content, and density of these concrete shields were further investigated within the constraints of the previously available data. New computational results for the first experiment are now available that show much better agreement with the measured values.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of a point-kinetic verification scheme for nuclear reactor applications

In this paper, a new method that can be used for checking the proper implementation of time- or frequency-dependent neutron transport models and for verifying their ability to recover some basic reactor physics properties is proposed. This method makes use of the application of a stationary perturbation to the system at a given frequency and extraction of the point-kinetic component of the system response. Even for strongly heterogeneous systems for which an analytical solution does not exist, the point-kinetic component follows, as a function of frequency, a simple analytical form. The comparison between the extracted point-kinetic component and its expected analytical form provides an opportunity to verify and validate neutron transport solvers. The proposed method is tested on two diffusion-based codes, one working in the time domain and the other working in the frequency domain. As long as the applied perturbation has a non-zero reactivity effect, it is demonstrated that the method can be successfully applied to verify and validate time- or frequency-dependent neutron transport solvers. Although the method is demonstrated in the present paper in a diffusion theory framework, higher order neutron transport methods could be verified based on the same principles.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗