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At least 667 records · Page 37

Calculation of the Geometric Factor in a New Experiment Aimed at Studying Radiative Neutron Decay

A new experiment aimed at studying radiative neutron decay is proposed. The respective experimental procedure reduces to measuring the time spectra of triple coincidences of the emitted photon, beta electron, and recoil proton along with the spectrum of double coincidences of ordinary decay products. By means of this procedure, we were able to measure for the first time the branching ratio for radiative neutron decay, BR = (3.2 ± 1.6) × 10{sup −3} (at a confidence level of C.L. = 99.7%, the photon energy being in excess of 35 keV) in 2005 at our old setup. The average value of this branching ratio was greater by a factor of 1.5 than its theoretical counterpart calculated on the basis of the Standard Model. However, we cannot state that we have seen a deviation fromthe StandardModel prediction since the experimental error was quite large in that experiment. The present study is devoted to implementing, by means of the popular Geant4 code package, a computer analog of the respective experiment at a new facility. Our calculations reveal that the resulting geometri©factor values make it possible to a accumulate, in a live experiment, a data sample sufficient for measuring the above branching ratio to a precision of a few percent.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Decaf: Decoupled Dataflows for In Situ High-Performance Workflows

Decaf is a dataflow system for the parallel communication of coupled tasks in an HPC workflow. The dataflow can perform arbitrary data transformations ranging from simply forwarding data to complex data redistribution. Decaf does this by allowing the user to allocate resources and execute custom code in the dataflow. All communication through the dataflow is efficient parallel message passing over MPI. The runtime for calling tasks is entirely message-driven; Decaf executes a task when all messages for the task have been received. Such a messagedriven runtime allows cyclic task dependencies in the workflow graph, for example, to enact computational steering based on the result of downstream tasks. Decaf includes a simple Python API for describing the workflow graph. This allows Decaf to stand alone as a complete workflow system, but Decaf can also be used as the dataflow layer by one or more other workflow systems to form a heterogeneous task-based computing environment. In one experiment, we couple a molecular dynamics code with a visualization tool using the FlowVR and Damaris workflow systems and Decaf for the dataflow. In another experiment, we test the coupling of a cosmology code with Voronoi tessellation and density estimation codes using MPI for the simulation, the DIY programming model for the two analysis codes, and Decaf for the dataflow. Such workflows consisting of heterogeneous software infrastructures exist because components are developed separately with different programming models and runtimes, and this is the first time that such heterogeneous coupling of diverse components was demonstrated in situ on HPC systems.

97 MATHEMATICS AND COMPUTING↗

Evolution of the Data Quality Monitoring and Prompt Processing System in the proto DUNE-SP experiment

The DUNE Collaboration currently operates an experimental program based at CERN which includes a beam test and an extended cosmic ray run of two large-scale prototypes of the massive Liquid Argon Time Projection Chamber (LArTPC) for the DUNE Far Detector. The volume of data collected by the single-phase prototype (protoDUNE-SP) amounts to 3PB and the sustained rate of data sent to mass storage is O(100) MB/s. Data Quality Monitoring was implemented by directing a fraction of the data stream to the protoDUNE prompt processing system (p3s) which is optimized for continuous low-latency calculation of the vital detector metrics and various graphics including event displays. It served a crucial role throughout the life cycle of the experiment. We present our experience in leveraging the CERN computing environment and operating the system over an extended period of time, while adapting to evolving requirements and computing platform.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Multilevel Robustness for 2D Vector Field Feature Tracking, Selection and Comparison

Abstract Critical point tracking is a core topic in scientific visualization for understanding the dynamic behaviour of time‐varying vector field data. The topological notion of robustness has been introduced recently to quantify the structural stability of critical points, that is, the robustness of a critical point is the minimum amount of perturbation to the vector field necessary to cancel it. A theoretical basis has been established previously that relates critical point tracking with the notion of robustness, in particular, critical points could be tracked based on their closeness in stability, measured by robustness, instead of just distance proximity within the domain. However, in practice, the computation of classic robustness may produce artifacts when a critical point is close to the boundary of the domain; thus, we do not have a complete picture of the vector field behaviour within its local neighbourhood. To alleviate these issues, we introduce a multilevel robustness framework for the study of 2D time‐varying vector fields. We compute the robustness of critical points across varying neighbourhoods to capture the multiscale nature of the data and to mitigate the boundary effect suffered by the classic robustness computation. We demonstrate via experiments that such a new notion of robustness can be combined seamlessly with existing feature tracking algorithms to improve the visual interpretability of vector fields in terms of feature tracking, selection and comparison for large‐scale scientific simulations. We observe, for the first time, that the minimum multilevel robustness is highly correlated with physical quantities used by domain scientists in studying a real‐world tropical cyclone dataset. Such an observation helps to increase the physical interpretability of robustness.

97 MATHEMATICS AND COMPUTING↗

Source Physics Experiment Data Quality Using Background Noise

We computed time-domain root-mean-square (TRMS) amplitudes and power spectral densities (PSD) from the Source Physics Experiment (SPE) seismic data using the 2018 version 1.4 of the instrument response metadata. The geophone instrument gains were set lower about a few weeks prior to the SPE shots to record on-scale and then reset soon afterward to record background noise and seismicity. When the gains were set lower, we determined that the 1-2 Hz bandpass filtered geophone amplitudes increased 20 decibels (dB) or factor of 10 relative to the geophone baseline or background noise levels from nearby broadband sensors. This indicates an inconsistency between the released metadata reporting a decrease in gain factor of 32 and the likely true geophone gain setting of 3.2. After the shots, the geophone gains were reset and recorded background noise levels similar to nearby broadbands consistent with the metadata for those time intervals. There was also a similar issue with line-3, line-4 and AF Trillium broadband horizontals gains during SPE-5 where there is a factor of 32 difference relative to baseline levels. The other Guralp and Trillium broadbands performed very well recording a 1-2 Hz noise level of -150 to -160 dB similar to the nearby station at Tonopah Springs, Nevada (US.TPNV) and compared with -170 dB from the new low noise model (NLNM) for the continental US (e.g., McNamara and Buland, 2004). The geophones were only 5-10 dB higher but performed as well as broadbands above 6 Hz. The accelerometers have poor low frequency response and were 40-50 dB higher in the 1-2 Hz band relative to broadbands.

58 GEOSCIENCES↗

High-Throughput Computing on High-Performance Platforms: A Case Study

The computing systems used by LHC experiments has historically consisted of the federation of hundreds to thousands of distributed resources, ranging from small to mid-size resource. In spite of the impressive scale of the existing distributed computing solutions, the federation of small to mid-size resources will be insufficient to meet projected future demands. This paper is a case study of how the ATLAS experiment has embraced Titan -- a DOE leadership facility in conjunction with traditional distributed high- throughput computing to reach sustained production scales of approximately 52M core-hours a years. The three main contributions of this paper are: (i) a critical evaluation of design and operational considerations to support the sustained, scalable and production usage of Titan; (ii) a preliminary characterization of a next generation executor for PanDA to support new workloads and advanced execution modes; and (iii) early lessons for how current and future experimental and observational systems can be integrated with production supercomputers and other platforms in a general and extensible manner.

Oleynik, D↗

Graph Neural Networks for Surrogate Modeling of Offshore Floating Platforms

Floating offshore wind turbines (FOWTs) present an significant opportunity to increase renewable energy generation. However, significant challenges remain before FOWTs can be widely commercialized and deployed. In particular, hydrodynamic loading on the platforms can stress the overall structure, damage the mooring systems, and impact power generation. Studying these loads is difficult and often relies on computationally expensive models or experiments. In this work, we explore the use of graph neural networks (GNNs) to construct flexible, data-driven surrogates for hydrodynamic loads on platforms. We leverage the natural graph-like structure of offshore wind platform designs to enable the GNN model to learn to approximate the loads for different wave conditions and structural designs. We demonstrate potential uses for the surrogate by performing parameter sweeps and ridge analysis on the trained model to identify the impacts of different wave and structural features on the loads.

floating offshore wind turbines↗

Estimating List-Mode Data Sensitivities to Nuclear Data with MCNP6

Nuclear data are a vital component of predictive simulations used in applications like experiment design, stockpile stewardship, nuclear nonproliferation/safeguards, health physics, and criticality safety. A singular simulation requires the coalescence of different areas of nuclear data such as cross sections, angular distributions, and energy distributions of emitted neutrons for different materials and energy ranges. Improving nuclear data and thus reducing the uncertainty in simulated parameters could enable smaller, better-informed safety factors and ultimately reduce operational and procedural costs. There is a constant effort to garner a better understanding of the physical quantities represented by nuclear data through experiments. Integral experiment benchmarks use simulated and measured results to validate current nuclear data values. In the past, benchmarks primarily focused on the effective multiplication factor (k eff ); however, this limited scope has caused compensating errors and areas of nuclear data that lack validation. Compensating errors are inaccuracies in nuclear data that are obfuscated by cancellation when observing integrated values such as k eff . Diverse integral benchmark experiments that look for quantities of interest other than k eff and include multiple responses minimize the possibility of compensating errors and provides validation to areas of nuclear data previously lacking experimental validation. Benchmark experiments can be optimized during the design process to be highly dependent on specific areas of nuclear data. The dependence of a response in an experiment to a specific area/type of nuclear data is defined as sensitivity. A larger sensitivity means that nuclear data uncertainties will play a larger role in the response(s) resulting in larger bias. Currently, the sensitivity capabilities of the Monte Carlo N-Particle (MCNP ®1 ) transport code are limited to responses of k eff and tallied values (e.g., flux, surface current). As a part of the EUCLID project, this work explores estimating list-mode nuclear data sensitivities that can be used to design experiments aimed to constrain and reduce compensating errors in nuclear data by focusing on responses other than k eff . Tallied values are ideal quantities that are estimated with detectors during experiments. List-mode data (a list of neutron collection times) are the direct output of detector systems in subcritical neutron noise experiments. Expanding MCNP sensitivity capabilities to include the sensitivity of responses estimated from list-mode data, such as the prompt neutron decay constant (α) and multiplicity estimates (S and D), enables more direct comparison of simulated and measured experimental quantities. Additionally, deterministic tools such as SENSMG are capable of obtaining sensitivities to a wide variety of responses; however, these tools cannot handle complex geometries due to the assumptions made in discretizing the phase-space variables of the Boltzman transport equation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Portable Acceleration of CMS Computing Workflows with Coprocessors as a Service

Computing demands for large scientific experiments, such as the CMS experiment at the CERN LHC, will increase dramatically in the next decades. To complement the future performance increases of software running on central processing units (CPUs), explorations of coprocessor usage in data processing hold great potential and interest. Coprocessors are a class of computer processors that supplement CPUs, often improving the execution of certain functions due to architectural design choices. We explore the approach of Services for Optimized Network Inference on Coprocessors (SONIC) and study the deployment of this as-a-service approach in large-scale data processing. In the studies, we take a data processing workflow of the CMS experiment and run the main workflow on CPUs, while offloading several machine learning (ML) inference tasks onto either remote or local coprocessors, specifically graphics processing units (GPUs). With experiments performed at Google Cloud, the Purdue Tier-2 computing center, and combinations of the two, we demonstrate the acceleration of these ML algorithms individually on coprocessors and the corresponding throughput improvement for the entire workflow. This approach can be easily generalized to different types of coprocessors and deployed on local CPUs without decreasing the throughput performance. We emphasize that the SONIC approach enables high coprocessor usage and enables the portability to run workflows on different types of coprocessors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Distributing User Code with the CernVM FileSystem

The CernVM FileSystem (CVMFS) is widely used in High Throughput Computing to efficiently distributed experiment code. However, the standard CVMFS publishing tools are designed for a small group of people from each experiment to maintain common software, and the tools are not a good fit for publishing software from numerous users in each experiment. As a result, most user code, such as code to do specific physics analyses, is still sent with every job to the place the job is run. That process is relatively inefficient, especially when the user code is large. To overcome these limitations, we have built a CVMFS user code publication system. This publication system enables users to still submit their code with their jobs but the code is distributed and accessed through the standard CVMFS infrastructure. The user code is automatically deleted from CVMFS after a period of no use. Most of the software for the system is available as a single self-contained open source rpm called cvmfs-user-pub and is available for other deployments.

97 MATHEMATICS AND COMPUTING↗

Verification of Upcoming MCNP Features For Estimating Nuclear Data Sensitivities in Fixed Source Simulations [Abstract]

Predictive simulation codes, like the Monte Carlo N-Particle (MCNP) transport code, are used throughout the nuclear community. These simulations are based on nuclear data. Maximizing the accuracy and precision of nuclear data maximizes the accuracy and precision of the overall simulation. This is imperative to applications that rely on simulations. For example, improving nuclear data for special nuclear material improves simulation accuracy in stockpile stewardship applications, which results in larger safety margins and decreased operational costs. The improvement and validation of nuclear data is completed through integral benchmark experiments. Past benchmarks have primarily been limited to focus on the effective multiplication factor ($\kappa$ eff ); broadening the purview of benchmarks beyond $\kappa$ eff -dependent nuclear data addresses nuclear data deficiencies. Different response types depend on different areas of nuclear data. This dependence is quantified as nuclear data sensitivity: the change in response due to perturbation of a contributing parameter. The larger the nuclear data sensitivity of a response, the more the experiment is influenced by the uncertainties of the nuclear data. The optimization of nuclear data sensitivities in future benchmarks would result in more detailed validation of lesser studied areas of nuclear data. Currently, direct sensitivity capabilities are not easily found for all experiment types and parameters. An MCNP tool to directly estimate the cross section sensitivities of tallied values is under development. Additionally, updates have been made to the perturbation feature of MCNP, which can be used in a less direct approach to estimating sensitivities. This work verifies these features to estimate nuclear data sensitivities in fixed source simulations of a 4.5-kg sphere of alpha- phase weapons-grade plutonium surrounded by differing amounts of copper and polyethylene. Integrated estimates made using MCNP’s tools were found to statistically agree with integrated estimates made from manual perturbation of nuclear data proving the validity of the MCNP tools.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quake Final Video

Critical infrastructures of the world are at constant risks for earthquakes. Most of these critical structures are designed using archaic, seismic, simulation methods that were built from early digital computers from the 1970s. Idaho National Laboratory’s Seismic Research Group are working to modernize the simulation methods through computational research and large-scale laboratory experiments.

58 GEOSCIENCES↗

Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO 2 and HfO 2

Structure and thermodynamics of pure cubic ZrO 2 and HfO 2 were studied computationally and experimentally from their tetragonal to cubic transition temperatures (2311 and 2530 degrees C) to their melting points (2710 and 2800 degrees C). Computations were performed using automated ab initio molecular dynamics techniques. High temperature synchrotron X-ray diffraction on laser heated aerodynamically levitated samples provided experimental data on volume change during tetragonal-to-cubic phase transformation (0.55 +/- 0.09% for ZrO 2 and 0.87 +/- 0.08% for HfO 2 ), density and thermal expansion. Fusion enthalpies were measured using drop and catch calorimetry on laser heated levitated samples as 55 +/- 7 kJ/mol for ZrO 2 and 61 +/- 10 kJ/mol for HfO 2 , compared with 54 +/- 2 and 52 +/- 2 kJ/mol from computation. Volumetric thermal expansion for cubic ZrO 2 and HfO 2 are similar and reach (4 +/- 1).10 -5 /K from experiment and (5 +/- 1).10 -5 /K from computation. Finally, an agreement with experiment renders confidence in values obtained exclusively from computation: namely heat capacity of cubic HfO 2 and ZrO 2 , volume change on melting, and thermal expansion of the liquid to 3127 degrees C. Computed oxygen diffusion coefficients indicate that above 2400 degrees C pure ZrO 2 is an excellent oxygen conductor, perhaps even better than YSZ.

36 MATERIALS SCIENCE↗

Crowding-Induced Spatial Organization of Gene Expression in Cell-Sized Vesicles

Cell-free protein synthesis is an important tool for studying gene expression and harnessing it for applications. In cells, gene expression is regulated in part by the spatial organization of transcription and translation. Unfortunately, current cell-free approaches are unable to control the organization of molecular components needed for gene expression, which limits the ability to probe and utilize its effects. In this work, we show, using complementary computational and experimental approaches, that macromolecular crowding can be used to control the spatial organization and translational efficiency of gene expression in cell-sized vesicles. Computer simulations and imaging experiments reveal that, as crowding is increased, DNA plasmids become localized at the inner surface of vesicles. Ribosomes, in contrast, remain uniformly distributed, demonstrating that crowding can be used to differentially organize components of gene expression. We further carried out cell-free protein synthesis reactions in cell-sized vesicles and quantified mRNA and protein abundance. At sufficiently high levels of crowding, we observed localization of mRNA near vesicle surfaces, a decrease in translational efficiency and protein abundance, and anomalous scaling of protein abundance as a function of vesicle size. These results are consistent with high levels of crowding causing altered spatial organization and slower diffusion. Our work demonstrates a straightforward way to control the organization of gene expression in cell-sized vesicles and provides insight into the spatial regulation of gene expression in cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling Approach to Critical in the Upcoming CERBERUS Experiment

The planned Critical Experiment Reflected By coppEr to betteR Understand Scattering (CERBERUS) seeks to maximize sensitivity to elastic neutron scattering in the intermediate energy region (0.625 eV to 100 keV). It will be performed near the end of FY 2023 at the National Criticality Experiments Research Center (NCERC). Very few International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmarks are sensitive to copper in this region. Creating a benchmark sensitive in this area will make the Zeus benchmark series, an intermediate benchmark evaluation that uses a copper reflector, more useful for code and nuclear data validation. Approaching criticality in a safe manner is of utmost importance to avoid a criticality accident, which would present a safety concern and could cause damage to equipment. The two rules that are followed closely to ensure that a criticality accident does not occur are the 3/4 rule and the 1/2 rule. The 3/4 rule states that no more than 3/4 of a critical mass can be assembled by hand, and the 1/2 rule states that no more than 1/2 of the material expected to reach criticality, or 1/2 the distance needed to reach criticality, can be added before another measurement of the count rate has been taken. This work will discuss the approach to criticality as modeled in MCNP6® 1 particle transport code with the ENDF/B- VIII.0 cross-section library and the .00c data library.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Design of Nuclear Criticality Safety Framework for Hands-on Construction of Fast Systems Over Ranges of Multiplication

Since 1945, Los Alamos National Laboratory (LANL) has performed critical experiments, primarily at the Los Alamos Critical Experiments Facility (LACEF) at Technical Area 18 (TA-18). Since 2011, these experiments have been conducted by the National Criticality Experiments Research Center (NCERC), operated by LANL, at the Device Assembly Facility (DAF) in the Nevada National Security Site (NNSS). These experiments utilize various types of Special Nuclear Material (SNM). Some of these experiments utilize what is referred to as the Rocky Flat Shells, which are called such as they came from the Rocky Flats Plant. These concentric hemi-shells are made of Highly Enriched Uranium (HEU), which is 93 w/o 235U. Fig. 1. Subset of the Rocky Flat Shells LANL is designing a new subcritical hands-on experiment with the goal of achieving a neutron multiplication in the range of 50 to 200, which correlates to Keff values of 0.98 to 0.995. ANSI/ANS-1 is the standard for Conduct of Critical Experiments which governs critical operations at NCERC. Section 3.9 of ANSI/ANS-1 states that when manipulating a critical assembly by hand, the predicted k eff of a known configuration should not exceed 0.95 (a neutron multiplication of 20). This presents a challenge, as this system would have a higher multiplication than 20 and the assembly would have to remain subcritical in normal and credible accident scenarios. To ensure the safety of such an assembly, the different normal and abnormal conditions that could alter the criticality 1 MCNP® and Monte Carlo N-Particle® are registered trademarks owned by Triad National Security, LLC, manager and operator of Los Alamos National Laboratory. Any third party use of such registered marks should be properly of the system must be considered and analyzed. If such a condition is deemed to be credible, it will be further investigated using the Monte Carlo N-Particle (MCNP) transport code. If the results of these simulations show that a k eff larger than one could be possible, modifications to the assembly will be made until such an event is deemed no longer possible.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Landmark-Warped Emulators for Models with Misaligned Functional Response

Many computer models output functional data, and in some cases, these functional data have similar, but misaligned, shape characteristics. In this paper, we introduce a general approach for building emulators for computer models that output misaligned functional data when key values in the functional response (landmarks) can be easily identified. This approach has two main parts: modeling the aligned (using the landmarks) functional data, and modeling the functions that map the misaligned data to the aligned space (warping functions). As the warping functions are required to be monotonic, we give special attention to modeling monotonic functional response data. We discuss how our approach can be easily applied for a variety of typical emulators, such as Gaussian processes, Bayesian multivariate adaptive regression splines, and Bayesian additive regression trees, and how sensitivity analysis can be performed. We demonstrate our approach by building emulators for two applications: (1) a high-energy-density physics computer model used to simulate inertial confinement fusion ignition experiments, where model outputs are highly misaligned, and (2) a multiphysics continuum hydrocode used to simulate high-velocity impact experiments, where model outputs are only slightly misaligned. In case (1) traditional methods cannot be applied, while in (2) they can be applied, but the proposed method performs significantly better.

97 MATHEMATICS AND COMPUTING↗

On the characterization of biases arising from methods and approximations used for sensitivity analyses

The preliminary assessment of the performance and safety of advanced reactors, as well as the identification of research and development needs, rely on computer simulations due to the lack of operational experience. Those simulations should be based on verified and validated computational tools, calculation schemes, and nuclear data libraries, and should be accompanied of a proper characterization of the involved uncertainties, providing confidence in the computational-based predictions. Thus, sensitivity and uncertainty studies, together with integral experiments, play an essential role in that process. Sensitivities are then a critical element and guidelines about how to produce accurate enough sensitivities depending on the subsequent analyses to be performed are of interest. The present study addresses the sensitivities biases arising from the use of different nuclear data libraries, computational methods and the assumption of modelling simplifications. Not only sensitivities for multiplication factor but also for safety-relevant reactivity responses have been analyzed. In the study, propagated uncertainties are also included for the considered parameters to illustrate the impact of the sensitivity profiles obtained for each case on the final uncertainty. Then, relevant recommendations are given for sensitivity analyses of highly complex systems. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗