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At least 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High- temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes ad- vantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

NRC Multiphysics Analysis Capability Deployment (FY2021--Part 1)

This report details progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” The tasks completed for this report are as follows: First, Task 1d: The net radiation transfer method was implemented into MOOSE for modeling reactor cavity cooling system geometries. RCCS models for two experiments were created: (1) Natural Convection Shutdown Heat Removal Test Facility (NSTF) experiment R022, and (2) HTTR VCS mockup. For validation, computed temperature distributions were compared to measured temperatures. Next, Task 4c: An algorithm for computing the pebble bed reactor equilibrium core isotopic com-position was developed and an initial version is implemented into the reactor multi-physics code Griffin. Initial results for a simplified axisymmetric pebble bed reactor are presented. Finally, Task 7: generation of a reference plant model for molten salt cooled pebble bed reactor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High-temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Developing and Managing Data Acquisition Software Using Spack

The Data Acquisition systems of particle physics experiments regularly push the boundaries of high-throughput computing, demanding low-latency collection of data from thousands of devices, collating data into time-sliced events, processing these events and making trigger decisions, and writing the selected data streams to disk. To accomplish these tasks, the DAQ Engineering and Operations department at Fermilab leverages multiple software libraries and builds reusable DAQ frameworks on top. These libraries must be delivered in well-defined bundles and are thoroughly tested for compatibility and functionality before being deployed to live detectors. We have several techniques used to ensure that a consistent set of dependencies can be delivered and re-created at need. We must also support active development of DAQ software components, ideally in an environment as close as possible to that of the detectors. This development often occurs across multiple packages which have to be built in concert and features tested in a consistent and reproducible manner. I will present our scheme for accomplishing these goals using Spack environments, bundle packages, and Github Actions-based CI.

Flumerfelt, Eric [Fermilab]↗
DOE OSTI2024

A Multiscale Inelastic Internal State Variable Corrosion Model

We present a corrosion internal state variable (ISV) damage model based upon the integrated computational materials engineering (ICME) hierarchical multiscale paradigm. Structure–property experiments for magnesium alloys were used where the only inputs were the volume fractions of each element of the periodic table. This macroscale ISV corrosion model finds its basis in Horstemeyer’s mechanical damage model, which includes three separate ISVs for damage nucleation, growth, and coalescence, as well as Walton’s inclusion of corrosion, which introduces five new ISVs for pit nucleation, growth, and coalescence, along with general corrosion and intergranular corrosion. While Walton’s corrosion ISVs are phenomenological in nature, herein we develop a multiscale physical basis for the corrosion ISVs. The parameters for the macroscale corrosion ISVs were garnered from the mesoscale Butler–Volmer equations. Pure magnesium with differing amounts of aluminum were used in corrosion tests to exemplify the different pitting, general corrosion, and intergranular corrosion rates, and the macroscale ISV model was calibrated with said data, in which the only inputs to the model are the volume percentages of the elements magnesium and aluminum. Although magnesium alloys were used to motivate and calibrate the model, the model is abstract enough to possibly capture other material systems as well.

Chemistry↗
DOE OSTI2025

Space-Time Finite Element Tensor Network Approach for the Time-Dependent Convection–Diffusion–Reaction Equation with Variable Coefficients

In this paper, we present a new space-time Galerkin-like method, where we treat the discretization of spatial and temporal domains simultaneously. This method utilizes a mixed formulation of the tensor-train (TT) and quantized tensor-train (QTT) (please see Section Tensor-Train Decomposition), designed for the finite element discretization (Q1-FEM) of the time-dependent convection–diffusion–reaction (CDR) equation. We reformulate the assembly process of the finite element discretized CDR to enhance its compatibility with tensor operations and introduce a low-rank tensor structure for the finite element operators. Recognizing the banded structure inherent in the finite element framework’s discrete operators, we further exploit the QTT format of the CDR to achieve greater speed and compression. Additionally, we present a comprehensive approach for integrating variable coefficients of CDR into the global discrete operators within the TT/QTT framework. The effectiveness of the proposed method, in terms of memory efficiency and computational complexity, is demonstrated through a series of numerical experiments, including a semi-linear example.

convection–diffusion–reaction equation↗
DOE OSTI2022

Detailed Chemical Abundances for a Benchmark Sample of M Dwarfs from the APOGEE Survey

Individual chemical abundances for 14 elements (C, O, Na, Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, Fe, and Ni) are derived for a sample of M dwarfs using high-resolution, near-infrared H-band spectra from the Sloan Digital Sky Survey-IV/Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey. The quantitative analysis included synthetic spectra computed with 1D LTE plane-parallel MARCS models using the APOGEE Data Release 17 line list to determine chemical abundances. The sample consists of 11 M dwarfs in binary systems with warmer FGK dwarf primaries and 10 measured interferometric angular diameters. To minimize atomic diffusion effects, [X/Fe] ratios are used to compare M dwarfs in binary systems and literature results for their warmer primary stars, indicating good agreement (<0.08 dex) for all studied elements. The mean abundance difference in primaries minus this work's M dwarfs is –0.05 ± 0.03 dex. It indicates that M dwarfs in binary systems are a reliable way to calibrate empirical relationships. A comparison with abundance, effective temperature, and surface gravity results from the APOGEE Stellar Parameter and Chemical Abundances Pipeline (ASPCAP) Data Release 16 finds a systematic offset of [M/H], T eff , log g = +0.21 dex, –50 K, and 0.30 dex, respectively, although ASPCAP [X/Fe] ratios are generally consistent with this study. The metallicities of the M dwarfs cover the range of [Fe/H] = –0.9 to +0.4 and are used to investigate Galactic chemical evolution via trends of [X/Fe] as a function of [Fe/H]. The behavior of the various elemental abundances [X/Fe] versus [Fe/H] agrees well with the corresponding trends derived from warmer FGK dwarfs, demonstrating that the APOGEE spectra can be used to examine Galactic chemical evolution using large samples of selected M dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Sebastien Philippe Discusses the Zero-Knowledge Protocol

A system that can compare physical objects while potentially protecting sensitive information about the objects themselves has been demonstrated experimentally at the U.S. Department of Energy’s (DOE) Princeton Plasma Physics Laboratory (PPPL). This work, by researchers at Princeton University and PPPL, marks an initial confirmation of the application of a powerful cryptographic technique in the physical world. Graduate student Sébastien Philippe discusses the experiment.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Development of a Clad Activation Capability in BISON using ORIGEN

This work describes the ongoing coupling work establishing ORIGEN as a physics module for depletion, activation, and decay in the MOOSE/BISON fuel performance code. The current phase has focused on the implementation of an activation model, mainly intended for evaluation and comparison of accident tolerant cladding designs within a single fuel performance framework. The next phase will develop a capability for fuel depletion. New aspects of this work include: investigation of how to allow the high-fidelity ORIGEN capability to be interoperable extension of existing lower-fidelity cladding models (e.g. based only on fast fluence), introduction of recalculation thresholds to reduce computational cost during multi-physics iterations, and runtime experiments to assess the cost of this additional physics relative to the baseline MOOSE/BISON fuel performance calculations. The current results show activation increases runtime by a factor of approximately 7, but additional optimizations, discussed in the conclusions, are possible.

Wieselquist, William↗
DOE OSTI2020

A Review on Machine Learning for Neutrino Experiments

Neutrino experiments study the least understood of the Standard Model particles by observing their direct interactions with matter or searching for ultra-rare signals. The study of neutrinos typically requires overcoming large backgrounds, elusive signals, and small statistics. The introduction of state-of-the-art machine learning tools to solve analysis tasks has made major impacts to these challenges in neutrino experiments across the board. Machine learning algorithms have become an integral tool of neutrino physics, and their development is of great importance to the capabilities of next generation experiments. An understanding of the roadblocks, both human and computational, and the challenges that still exist in the application of these techniques is critical to their proper and beneficial utilization for physics applications. This review presents the current status of machine learning applications for neutrino physics in terms of the challenges and opportunities that are at the intersection between these two fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Dynamics of Gas Flow and Hydrate Formation within the Hydrate Stability Zone

Methane hydrate comprises a significant piece of the global carbon cycle and is an important potential energy resource. Thick marine sands around the world contain free gas beneath and high concentrations of methane hydrate far above the base of the hydrate stability zone. The mechanisms controlling gas transport and hydrate formation within the region where hydrate is stable remains an important research question. I developed a new experimental method to investigate the fundamental behaviors associated with hydrate formation during gas flow into the hydrate stability zone. First, I performed a set of experiments at the same experimental conditions, to determine the repeatability of this behavior. I compared these results to those from an experiment performed outside the hydrate stability zone to elucidate the change in intrinsic gas flow behavior due to hydrate formation. Second, I performed additional experiments at a range of flow rates as well as several shut-in experiments, where I observed long-term hydrate formation after flow took place. I analyzed the bulk and core-scale behaviors of these experiments using a combination of mass balance and computed-tomography analyses. I found that many of my experimentally observed behaviors are not accurately described by previous models and that the mechanism for gas transport was fundamentally different than typically assumed. I proposed that hydrate formation at the gas-brine interface separates the gas and brine phases and limits hydrate formation to methane transport through the hydrate. This behavior produced temporary flow blockages that were mitigated when the hydrate skin fails due to pressure gradients across the sample. This behavior also produced different thermodynamics states on either side of the hydrate that could persist for hundreds to thousands of years. These results provide an alternative mechanism for gas transport and hydrate formation through the hydrate stability zone that does not require the gas, hydrate, and brine to be at three-phase equilibrium. This mechanism provides a first-order connection between experimentally observed micro-scale phenomena and field-scale gas transport and hydrate formation behaviors in these reservoirs.

03 NATURAL GAS↗
DOE OSTI2017

Investigations into validation of plutonium solutions for criticality safety analysis

Plutonium solution chemistry is among the most complex of all the elements in the periodic table. Under acidic conditions up to four different oxidation states can be present in significant amounts in a single solution. From the perspective of nuclear criticality safety, accurate information regarding the concentration of plutonium and other constituents in solution must be well-known in order to correctly model plutonium solution systems for analysis. This requires knowledge of the solution system along with the ability to make accurate assumptions and predictions of the chemical and physical properties of the solution system. If neutron transport methods are used to assess subcriticality in a nuclear criticality safety analysis, the models must be compared with benchmark experiments which are similar and the suitability of the computer code system must be quantified. This paper describes some investigations undertaken to support the validation of plutonium solution systems for nuclear criticality safety analysis and how the Whisper sensitivity/uncertainty (S/U) tool can provide information to support validation of such systems. Case study results for various solution systems such as aqueous plutonium nitrate, aqueous plutonium chloride and hypothetical metal-water mixture are presented. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Performance Portability Evaluation of Fluid-Structure Interaction Simulations on Heterogeneous Platforms

The rapid proliferation of heterogeneous programming languages and multi-vendor hardware has underscored the critical need to evaluate the performance portability of scientific applications. In this work, we present the systematic porting and optimization of a massively parallel fluid-structure interaction code across multiple heterogeneous programming frameworks for deployment on leadership-class supercomputers from major vendors. Our analysis focuses on at-scale performance for simulations involving hundreds of millions of deformable cells, executed on a combination of CPUs and GPUs spanning thousands of nodes on exascale machines. We benchmark the performance of each implementation, highlighting the trade-offs inherent in adopting diverse programming models. Key insights regarding the portability of CUDA on multi-vendor platforms, the superior multi-core CPU performance from SYCL, and architectural considerations on performance optimization are distilled from our experience, offering guidance to other users of high performance computing based on our findings.

Martin, Aristotle [Duke University]↗
DOE OSTI2025

The Profiled Feldman-Cousins Method for Confidence Interval Construction for the Nova 3-Flavor Oscillation Analysis

The small interaction cross-section of neutrinos makes experimental neutrino physics particularly responsive to technological advancements. A significant development leveraged by the NOvA experiment is large-scale parallel processing, enabling novel computational approaches to longstanding experimental challenges. Central to managing the resulting high-throughput data is NOvA’s implementation of the Freight Train model, designed for efficient data production and handling.This dissertation details the methodology and execution of the NOvA 2024 3-Flavor Oscillation Analysis, supported by a comprehensive dataset spanning ten years. It emphasizes frequentist results refined through the Feldman-Cousins (FC) technique, specifically addressing confidence interval corrections in parameter estimation. The computational intensity associated with Feldman-Cousins arises from extensive Monte Carlo simulations, which were substantially mitigated through parallel computing on the Perlmutter supercomputer at the National Energy Research Scientific Computing Center (NERSC), employing the MPI framework.To further enhance computational efficiency, an Importance Sampling method is introduced and evaluated, demonstrating significant potential to reduce complexity, particularly in exploring extreme parameter space regions. This thesis presents both the successful application of advanced computational resources and the development of sophisticated statistical techniques, aiming to enhance the precision and scope of neutrino oscillation analyses.

Dye ajdye11190@gmail.com, Andrew Joseph [Mississip↗
DOE OSTI2026

Machine Learning Digital Twin for Lithium Ion Battery State of Health Predictions

A digital twin system has been established to model the long term degradation of the state of health of lithium ion batteries. Two data streams result from the computational model of the system and from the physical experiment measurements. A machine learning pipeline has been developed at the nexus of these data streams. Leveraging the unique data sources in multiple transfer learning approaches has lead to the development of multiple cell specific machine learning digital twins. Our discussion on this first of its kind technology will cover challenges in data ingestion, scalability, architecture and orchestration, and research findings.

25 - ENERGY STORAGE↗
DOE OSTI2017

OECD/NEA EGMPEBV Activities in Multi-Physics Verification and Validation

The Expert Group on Multi-Physics Experimental Data, Benchmarks and Validation (EGMPEBV) was established in 2014 by the Nuclear Energy Agency (NEA) at the Organization for Economic Co-operation and Development (OECD) to establish processes for certification of experimental data and development of benchmark models for validation of Multi-Physics (MP) Modeling and Simulation (M and S) computational systems. The aim of the group is to provide member countries with guidelines and recommendations for validating and improving their novel multi-physics simulations, and with an access to key experimental data. To be used to their full potential, these novel tools will require a more complex suite of validation experiments due to the multiple energy, spatial and temporal scales, as well as the number of physical phenomena being simulated. They will also require accurate measurements of all terms, including coupling terms representing the feedback effects, in situations where the appropriate experimental techniques and facilities might not exist today. However, the ability to conduct validation experiments has for certain applications progressed at a slower pace than for computational methods, or in some cases it has significantly regressed (through shutdown of facilities, or through retirement of experts). In addition, as modelling capabilities are reaching deeper levels in single physics phenomena and in coupled behaviors, appropriate experimental techniques may not yet exist. Validation of multiple physics models requires a wide variety of experimental data, which emphasizes the importance of maximizing the use of historically accumulated data to avoid the significant cost of performing similar experiments today. Moreover, the pedigree and quality of this data as it pertains to modern day simulation methods may be insufficient for rigorous validation of high fidelity modeling and simulation tools. Thus, these data can often exhibit limitations including a lack of measurement accuracy or a lack of knowledge of the measurement uncertainty in the experimental techniques; an absence of measurements for some critical parameters; an obscuring of relationships between individual physics phenomena owing to the output data resolution; or simply an inability to allow for a detailed reinterpretation of the experiments based on the documented information. The organization of the EGMPEBV relies on three Task Forces, focused on 1) Experimental Data Qualification and Benchmark Evaluation; 2) Methods and Standards, and 3) Specific Applications. Task Force 1 is focused on providing better and more accurate experimental datasets, which support validation of high-fidelity multi-physics modelling and simulation (M and S) tools. At the same time it has to consider the incompleteness of past experimental data sets (in terms of data, documentation, or uncertainties) and with the limited number of available multi-physics experimental facilities. Task Force 2 is designed to develop validation methods and guidelines, and uncertainty qualification for the new family of multi-physics, multi-scale codes in the context of emerging demands such as longer fuel cycles and power uprate. Task Force 3 is focused on applications of validation experiments and has the objective to organize multi-physics M and S benchmarks involving validation experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Visualization of flow interaction in a channel flow produced by a pair of helically coiled rods

Helically coiled tubes have been considered in the design of steam generators or heat exchangers of next generation nuclear power plants. Its compactness, efficiency, and the capability to absorb thermal expansion are desirable for nuclear reactor designs. However, the complex flow generated by the helically coiled geometry can result in flow induced vibration (FIV). In order to predict the FIV, there have been efforts using Computational Fluid dynamics (CFD)4, 5 to be coupled with multi-mechanics simulations. However, it is required to validate CFD to have confidence in capturing the flow structure characteristics of the transient complex flow behavior and fluctuation. In the present study, a simplified helically coiled steam generator (HCSG) design experiment was built acquiring data for CFD validation purpose. It is not perfect representation of the multiple rods, however, the current test facility produced transient data of the flow interaction between the rods and flow fluctuations near the rods. Particle Image Velocimetry (PIV) was applied to visualize the turbulent flow in a channel with slant rods. The two dimensional turbulent flow fields were analyzed. The velocity components were defined as below. u = U + u' (1) v = V + v' (2) where u is the lateral velocity on x-axis, v is the vertical velocity on y-axis, U and V are the mean velocities, and u' and v' are the fluctuation. Reynolds number, Re, was calculated using the rod diameter, d = 15.9 mm, and the upstream approach velocity, V{sub 0} = 0.5 m/s. Re = V{sub 0} d/η (3) where η is the kinematic viscosity of water. The experiment was conducted at Re ≅ 9,000 considering the currently reasonable computing power. Flow visualization in a flow channel produced by helically coiled rods was performed using PIV. The mean velocity field and streamlines were presented in this paper. The vortical flow structures in the cavity between rods were observed. Because of the asymmetric geometry, the flow profile was skewed. Additional measurements and transient analysis will be conducted to produce benchmark data for FIV study using CFD. Also, a test facility with a 5-rod heat exchanger design is operating to produce more data as a further work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

An intelligent Data Delivery Service for and beyond the ATLAS experiment

The intelligent Data Delivery Service (iDDS) has been developed to cope with the huge increase of computing and storage resource usage in the coming LHC data taking. It has been designed to intelligently orchestrate workflows and data management systems, decoupling data pre-processing, delivery, and primary processing in large scale workflows. It is an experiment-agnostic service that has been deployed to serve data carousel (orchestrating efficient processing of tape-resident data), machine learning hyperparameter optimization, active learning, and other complex multi-stage workflows defined via DAG (Directed Acyclic Graph), CWL (Common Workflow Language) and other descriptions, including a growing number of analysis workflows. We will at first introduce some deployed use cases in a summary. Then we will focus on new improvements and use cases under developments in ATLAS, Rubin Observatory and sPHENIX, together with future efforts.

97 MATHEMATICS AND COMPUTING↗