Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “computer experiment”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Comprehensive Analysis of Streaming and Shutdown Dose Rate Experiments at JET with ORNL Fusion Neutronics Workflows

Current experimental fusion systems and conceptual designs of fusion pilot plants (FPPs) are growing in complexity and size. Several radiation metrics are crucial to the safe operation of fusion machines, including neutron flux streaming through openings and the shutdown dose rate (SDDR). Most current designs of advanced experimental fusion systems—and the most probable candidates for FPPs—are based on the tokamak concept, which is prone to neutron streaming through the myriad openings needed for diagnostic and support systems. SDDR is caused by decay gamma rays from radionuclides that become activated by neutrons during the operation of a fusion system that use deuterium-deuterium (DD), tritium-tritium, or deuterium-tritium plasma. Because computational tools have become essential for determining these radiation metrics, they must be validated against reliable and applicable experimental data. Experiments at the Joint European Torus (JET) provide a unique source of experimental data for validating computational tools and nuclear data used to determine SDDR and neutron fluxes in streaming-dominated geometries. Here, this paper presents the comprehensive analysis of the high-performance DD JET SDDR, and streaming experiments performed using Oak Ridge National Laboratory (ORNL) fusion workflows. The computational results were compared with experimental results that consist of online SDDR measurements with ionization chambers and neutron fluence streaming measurements using thermoluminescent detectors. The ratio of calculated-to-experimental SDDR values ranges from 0.6 to 2.5, and the streaming results range from 0.5 to 8.0. Future work will include analyzing the JET 2021 DTE2 campaign alongside the integration of the Shift Monte Carlo transport code into all ORNL fusion neutronics workflows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

An open-source data storage and visualization platform for collaborative qubit control

Developing collaborative research platforms for quantum bit control is crucial for driving innovation in the field, as they enable the exchange of ideas, data, and implementation to achieve more impactful outcomes. Furthermore, considering the high costs associated with quantum experimental setups, collaborative environments are vital for maximizing resource utilization efficiently. However, the lack of dedicated data management platforms presents a significant obstacle to progress, highlighting the necessity for essential assistive tools tailored for this purpose. Current qubit control systems are unable to handle complicated management of extensive calibration data and do not support effectively visualizing intricate quantum experiment outcomes. In this paper, we introduce Qubit Control Storage and Visualization ( QubiCSV ), a platform specifically designed to meet the demands of quantum computing research, focusing on the storage and analysis of calibration and characterization data in qubit control systems. As an open-source tool, QubiCSV facilitates efficient data management of quantum computing, providing data versioning capabilities for data storage and allowing researchers and programmers to interact with qubits in real time. The insightful visualization are developed to interpret complex quantum experiments and optimize qubit performance. QubiCSV not only streamlines the handling of qubit control system data but also improves the user experience with intuitive visualization features, making it a valuable asset for researchers in the quantum computing domain.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

FAIR Framework for Physics-Inspired AI in High Energy Physics (Final Technical Report)

The main deliverable of this proposal was to publish data from high energy physics experiments in a FAIR format so that non-specialists could develop machine learning technologies using our data. The Minnesota team of Profs. Cushman, Furmanski and Rusack, from the high energy experiments CDMS, Micro-Boone and CMS, respectively, and Prof J. Sun from Computer Science worked to organize the data, to provide code to access the data, and where relevant provide documentation describing the data. The FAIR4HEP collaboration was formed with groups from UC San Diego, MIT, and the University of Illinois, with the principal investigator was Dr. Huerta. Collectively we collaborated on the publication of datasets from the LHC experiments. Members of the Minnesota group contributed to the common papers published by the collaboration

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Evaluating crown scorch predictions from a computational fluid dynamics wildland fire simulator

Abstract Background Crown scorch—the heating of live leaves, needles, and buds in the vegetative canopy to lethal temperatures without widespread combustion—is one of the most common fire effects shaping post-fire canopies. Despite the ability of computational fluid dynamic models to finely resolve fire activity and buoyant plume dynamics including heterogenous 3D distributions of forest canopy heating, these models have had only limited use in simulating fire effects and have not been used to evaluate crown scorch. Here, we demonstrate a method of evaluating crown scorch using a computational fluid dynamics model, FIRETEC, and validate this approach by simulating the experiments that were used to develop Van Wagner’s 1973 crown scorch model. Results The average scorch height prediction from FIRETEC compares well with the empirical model derived by Van Wagner, which is the most widely used empirical model for crown scorch. We further find that the 3D buoyant plume dynamics from a steady and homogeneous idealized heat source on the ground results in a spatially heterogenous crown scorch pattern reflecting complex heating dynamics that are best represented by percent scorch rather than height of scorch. Conclusions The ability of the computational fluid dynamics model to capture variation in crown scorch due to 3D buoyant plume dynamics provides direct links between forest structure, fire behavior, and fire effects that can be used by forest managers and researchers to better understand how fires result in crown damage under various environmental and management scenarios.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A critical look at the prediction of the temperature field around a laser-induced melt pool on metallic substrates

The study of microstructure evolution in additive manufacturing of metals would be aided by knowing the thermal history. Since temperature measurements beneath the surface are difficult, estimates are obtained from computational thermo-mechanical models calibrated against traces left in the sample revealed after etching, such as the trace of the melt pool boundary. Here we examine the question of how reliable thermal histories computed from a model that reproduces the melt pool trace are. To this end, we perform experiments in which one of two different laser beams moves with constant velocity and power over a substrate of 17-4PH SS or Ti-6Al-4V, with low enough power to avoid generating a keyhole. We find that thermal histories appear to be reliably computed provided that (a) the power density distribution of the laser beam over the substrate is well characterized, and (b) convective heat transport effects are accounted for. Poor control of the laser beam leads to potentially multiple three-dimensional melt pool shapes compatible with the melt pool trace, and therefore to multiple potential thermal histories. Ignoring convective effects leads to results that are inconsistent with experiments, even for the mild melt pools here.

42 ENGINEERING↗
DOE OSTI2023

Updated SAM Model for the Molten Salt Reactor Experiment (MSRE)

The development of reference standard problems based on prototypical reactor designs is of particular importance to verify the adequacy of computer codes and evaluation models for specific reactor types. To support the multiphysics coupled simulation of molten-salt-fueled reactor (MSR) using SAM and Griffin computer codes for safety and licensing analysis, much efforts have been put into enhancing code capabilities and developing reference models for the MSR primary loop in SAM. In this work, a previously developed Molten Salt Reactor Experiment (MSRE) primary loop model was updated to include a two-dimensional (2-D) core region and external core components in one-dimension (1-D) or zero-dimension (0-D). To ensure accurate feedback calculation in multi-physics simulations, the delayed neutron precursor tracking model and solid graphite model were added in the SAM model. In addition, the 2-D and 1-D domains are tightly coupled using the recently developed single-solve approach in SAM. The updated model has been tested under both steady-state and transient scenarios to demonstrate its potential for the multi-physics simulation of MSRE with coupled SAM and Griffin.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Piston Bowl Geometry Effects on Gasoline Compression Ignition in a Heavy-Duty Diesel Engine

A design optimization campaign was conducted to search for improved combustion profiles that enhance gasoline compression ignition in a heavy-duty diesel engine with a geometric compression ratio of 17.3. A large-scale design of experiments approach was used for the optimization, employing three-dimensional computational fluid dynamics simulations. The main parameters explored include geometric features, injector specifications, and swirl motion. Both stepped-lip and re-entrant bowls were included in order to assess their respective performance implications. A total of 256 design candidates were prepared using the software package CAESES for automated and simultaneous geometry generation and combustion recipe perturbation. The design optimization was conducted for three engine loads representing light to medium load conditions. The design candidates were evaluated for fuel efficiency, emissions, fuel-air mixing, and global combustion behavior. Simulation results showed that the optimum designs were all stepped-lip bowls, due to improvements in fuel-air mixing, as well as reduced heat loss and emissions formation. Improvements in indicated specific fuel consumption of up to 3.2% were achieved while meeting engine-out NOx emission targets of 1-1.5 g/kW center dot h. Re-entrant bowls performed worse compared to the baseline design, and significant performance variations occurred across the load points. Specifically, the re-entrant bowls were on par with the stepped-lip bowls under light load conditions, but significant deteriorations occurred under higher load conditions. As a final task, selected optimized designs were then evaluated under full-load conditions.

CFD↗
DOE OSTI2024

Learning Robust Marking Policies for Adaptive Mesh Refinement

Here in this work, we revisit the marking decisions made in the standard adaptive finite element method (AFEM). Experience shows that a naïve marking policy leads to inefficient use of computational resources for adaptive mesh refinement (AMR). Consequently, using AMR in practice often involves ad-hoc or time-consuming offline parameter tuning to set appropriate parameters for the marking subroutine. To address these practical concerns, we recast AMR as a Markov decision process in which refinement parameters can be selected on-the-fly at run time, without the need for pre-tuning by expert users. In this new paradigm, the refinement parameters are also chosen adaptively via a marking policy that can be optimized using methods from reinforcement learning. We use the Poisson equation to demonstrate our techniques on h- and hp-refinement benchmark problems, and our experiments suggest that superior marking policies remain undiscovered for many classical AFEM applications. Furthermore, an unexpected observation from this work is that marking policies trained on one family of PDEs are sometimes robust enough to perform well on problems far outside the training family. For illustration, we show that a simple hp-refinement policy trained on 2D domains with only a single re-entrant corner can be deployed on far more complicated 2D domains, and even 3D domains, without significant performance loss. For reproduction and broader adoption, we accompany this work with an open-source implementation of our methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Sensitivity Coefficients Calculated for the Prompt Neutron Decay Constant at or Near Delayed Critical [Abstract]

Experimenters at Los Alamos National Laboratory (LANL) measure the prompt neutron decay constant for many experiments at the National Criticality Experiments Research Center (NCERC) to infer reactivity and the effective neutron multiplication factor. These quantities are very important for nuclear criticality safety and validating nuclear data. Uncertainty in measures of criticality of an experimental configuration can be determined prior to physically performing the experiment by applying first order perturbation theory to Monte Carlo codes, such as MCNP®. The first order perturbation theory produces first derivatives of some nuclear parameter to nuclear data (e.g., cross section data). This first derivative is commonly referred to as a sensitivity coefficient. Currently, the MCNP® software has the capability of computing effective neutron multiplication factor sensitivity coefficients to cross section data. This work builds off of this MCNP® capability and the first order perturbation theory to provide a method of calculating sensitivity coefficients for the prompt neutron decay constant at or near delayed critical to cross section data. The prompt neutron decay constant sensitivity coefficient calculated in this work does not depend on any modification of the MCNP® source code. Prompt neutron decay constant sensitivity coefficient calculations can be used to infer reactivity and effective neutron multiplication factor sensitivity coefficient values as well. By investigating the trends of prompt neutron decay constant sensitivity coefficients for nuclide-reaction pairs across energy spectra, experiments can be designed to maximize or minimize the uncertainty in the prompt neutron decay constant in a particular energy region, which can lead to further optimization studies. Prompt neutron decay constant sensitivity coefficients will be calculated for the Jezebel benchmark. Subsequently, these sensitivity coefficients will be used in a data assimilation process to determine if there is or are optimal experiments that can be performed to provide insight into adjustments of uncertain/inaccurate cross section data. Specifically, the effect of the prompt neutron decay constant sensitivity coefficients on the nuclear data-induced uncertainty in the effective neutron multiplication factor will be examined

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Uses of Sensitivity/Uncertainty Techniques for Critical Experiment Design [Slides]

This presentation discusses the programming languages TSUNAMI and TSAR. It also provides a review of experimental designs using sensitivity analysis in regard to 7uPCX fuel design, fission product experiment analysis, MIRTE, and temperature dependent experiments at the Sandia Pulsed Reactor Facility (SPRF).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Status of HEU-Pb in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook

The Department of Energy invests tens of millions of dollars each year to develop the next generation of nuclear engineering modeling & simulation (M&S) tools. These tools are used to analyze advanced reactor designs and the safety of current nuclear operations. As computers become more powerful, we are able to enhance resolution in our calculations. This improved resolution is taking us to a point where the limitations of simulation capability are in the quality of data, including our ability to quantify the uncertainty and sensitivity of the data. In order to model systems of interest with increasing accuracy, the industry must improve key nuclear data measurements. Thus, M&S tools need evaluated and quality-assured experimental data for validation purposes. The International Criticality Safety Benchmark Evaluation Project (ICSBEP) compiles and evaluates experiment data in a handbook that can be used by criticality safety engineers and others to validate computer codes and cross-section libraries at nuclear facilities. Both critical and subcritical experiments are included in the handbook. Figure 1 organizes all the benchmark evaluations that have been performed by the isotope of interest, in this case Pb, and the average neutron energy the system. Compared to other isotopes of interest for nuclear applications, there are few benchmark evaluations for Pb systems. The lack of integral measurements to determine errors in Pb cross-section data has caused the latest nuclear cross-section libraries to over/underestimate k eff compared to experimental results. Therefore, this evaluation fills an important knowledge gap in benchmark evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Status of the CERBERUS Evaluation for the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook

Modeling & Simulation (M&S) tools are used to analyze advanced reactor designs and the safety of current nuclear operations. As computers continue to improve, we are able to enhance resolution in our calculations. Therefore, the limitations of simulation capability are in the quality of data that is being used, including our ability to quantify the uncertainty and sensitivity of that data. In order to model systems of interest with increasing accuracy, the industry must improve key nuclear data measurements. The International Criticality Safety Benchmark Evaluation Project (ICSBEP) compiles and evaluates experiment data in a handbook that can be used by criticality safety engineers and others to validate computer codes and cross section libraries at nuclear facilities. Both critical and subcritical experiments are included in the handbook. These experiments, along with differential measurements, can help improve the quality of nuclear data. Concerns regarding the accuracy of Cu nuclear data have been published. The large values and trend of C-E for the Zeus intermediate energy benchmark, being one of the primary examples. Furthermore, very few experiments have been designed to be sensitive to Cu (as shown in Figure 1), so an integral, critical experiment is needed to help resolve these differences.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Sensitivity Coefficients Calculated for the Prompt Neutron Decay Constant At or Near Delayed Critical

The derivation of a non-invasive prompt neutron decay constant sensitivity coefficient is provided in this work. The computation of the sensitivity coefficient derived in this work does not require modification of Monte Carlo source code and is based on capabilities available in Monte Carlo N-Particle R© Code Version 6.2. The prompt neutron decay constant sensitivity coefficients are calculated for 44-group and 252-group energy structures for specific nuclide-reaction pairs in the Jezebel benchmark experiment. The nuclide-reaction pairs investigated in this work include Pu- 239(n,f), Pu-240(n,f), and Pu-241(n,f). Physical explanations of the sensitivity profiles exhibited by the 252-group energy structure are investigated for the prompt neutron multiplication factor, mean neutron lifetime, and prompt neutron decay constant. The prompt neutron decay constant sensitivity coefficients calculated for the 44-group and 252-group energy structure of Pu-239(n,f) are compared. Lastly, the 44-group energy structure sensitivity coefficients calculated are used for nuclear-data induced uncertainty quantification of the neutron multiplication factor. This work shows that a reduction in the nuclear data-induced uncertainty of the neutron multiplication factor is possible for all nuclide-reaction pairs investigated when prompt neutron decay constant sensitivity coefficients are utilized. This is important for new critical experiment design optimization studies of measurement configurations. This work provides a basis for more detailed sensitivity analysis and uncertainty quantification of nuclide, reaction, and energy-specific cross section data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Isomer-Dependent Reaction Mechanisms of Cyclic Ether Intermediates: cis -23-Dimethyloxirane and trans -23-Dimethyloxirane.

Oxiranes are a class of cyclic ethers formed in abundance during low-temperature combustion of hydrocarbons and biofuels, either via chain-propagating steps that occur from unimolecular decomposition of β-hydroperoxyalkyl radicals (β-˙QOOH) or from reactions of HÒO with alkenes. The cis- and trans-isomers of 2,3-dimethyloxirane are intermediates of n-butane oxidation, and while rate coefficients for β-˙QOOH → 2,3-dimethyloxirane + OH are reported extensively, subsequent reaction mechanisms of the cyclic ethers are not. As a result, chemical kinetics mechanisms commonly adopt simplified chemistry to describe the consumption of 2,3-dimethyloxirane by convoluting several elementary reactions into a single step, which may introduce mechanism truncation error—uncertainty derived from missing or incomplete chemistry. The present research examines the isomerdependence of 2,3-dimethyloxirane reaction mechanisms in support of ongoing efforts to minimize mechanism truncation error. Reaction mechanisms are inferred via the detection of products from Cl-initiated oxidation of both cis-2,3-dimethyloxirane and trans-2,3-dimethyloxirane using multiplexed photoionization mass spectrometry (MPIMS). The experiments were conducted at 10 Torr and temperatures of 650 K and 800 K. To complement the experiments, the enthalpies of stationary points on the ˙R + O 2 surfaces were computed at the ccCA-PS3 level of theory. In total, 28 barrier heights were computed on the 2,3-dimethyloxiranylperoxy surfaces. Two notable aspects are low-lying pathways that form resonance-stabilized ketohydroperoxide-type radicals caused by ˙QOOH ring-opening when the unpaired electron is localized adjacent to the ether group, and cis-trans isomerization of ˙R and ˙QOOH radicals, via inversion, which enable reaction pathways otherwise restricted by stereochemistry. Several species were identified in the MPIMS experiments from ring opening of 2,3-dimethyloxiranyl radicals. Neither of the two conjugate alkene isomers prototypical of ˙R + O 2 reactions were detected. Products were also identified from decomposition of ketohydroperoxide-type radicals. The present work provides the first analysis of 2,3-dimethyloxirane oxidation chemistry and reveals that consumption pathways are complex and require the expansion of submechanisms in chemical kinetics mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Interface stability of ultrasonic additively manufactured Zircaloy-4 during hydrothermal corrosion

Simulated pressurized water reactor conditions (330 °C, 15.6 MPa, ~20 ppb oxygen) without irradiation were used to investigate the hydrothermal corrosion behavior of ultrasonic additively manufactured Zircaloy-4 up to 1000 h. X-ray computed tomography allowed for visualization of defects from processing and their progression after corrosion experiments. The specimens were found to have clear variability in the mass change data, compared to typical wrought Zircaloy-4 specimens. The variation in the mass change after exposure was attributed to weld defects connected to the specimen surface which allowed ingress of oxidant into the samples. Defects visualized by computed tomography were found via metallography and characterized. In conclusion, ultrasonic additively manufactured Zircaloy-4 was found to have comparable corrosion behavior as wrought Zircaloy-4 for specimens which did not have clear surface defects along weld interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Inferring the temperature profile of the radiative shock in the COAX experiment with shock radiography, Dante, and spectral temperature diagnostics

Predicting and modeling the behavior of experiments with radiation waves propagating through low-density foams require a detailed quantification of the numerous uncertainties present. In regimes where a prominent radiative shock is produced, key dynamical features include the shock position, temperature, and curvature and the spatial distribution and temperature of the corresponding supersonic radiation wave. The COAX experimental platform is designed to constrain numerical models of such a radiative shock propagating through a low-density foam by employing radiography for spatial and shock information, Dante for characterizing the x-ray flux from the indirectly driven target, and a novel spectral diagnostic designed to probe the temperature profile of the wave. In this work, we model COAX with parameterized 2D simulations and a Hohlraum-laser modeling package to study uncertainties in diagnosing the experiment. The inferred temperature profile of the COAX radiation transport experiments has been shown to differ from simulations more than expected from drive uncertainties that have been constrained by simultaneous soft x-ray flux and radiography measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Potential Applications of Quantum Computing at Los Alamos National Laboratory, v0.3.0

Since the scientific revolution in the 16th and 17th centuries, the process of scientific discovery has followed an iterative feedback process of observation, hypothesis development and testing with physical experiments, which is widely referred to as the scientific method. This process remained largely unchanged until the middle of the 20th century, when the emergence of digital computers empowered scientist to build and inspect detailed simulations of physical phenomena. Over the last century, computational tools have transformed modern approaches to scientific discovery by enabling fast and affordable hypothesis testing before physical experiments are conducted, shown in Figure 1-1. Some notable examples include: global climate forecasts to understand how the environment may change over decades [130]; modeling the behavior of plasma to design fusion reactors [59]; and understanding the behavior of molecules in biological processes [161, 223].

36 MATERIALS SCIENCE↗
DOE OSTI2020

Priority research directions for in situ data management: Enabling scientific discovery from diverse data sources

In January 2019, the US Department of Energy, Office of Science program in Advanced Scientific Computing Research, convened a workshop to identify priority research directions (PRDs) for in situ data management (ISDM). A fundamental finding of this workshop is that the methodologies used to manage data among a variety of tasks in situ can be used to facilitate scientific discovery from many different data sources—simulation, experiment, and sensors, for example—and that being able to do so at numerous computing scales will benefit real-time decision-making, design optimization, and data-driven scientific discovery. This article describes six PRDs identified by the workshop, which highlight the components and capabilities needed for ISDM to be successful for a wide variety of applications—making ISDM capabilities more pervasive, controllable, composable, and transparent, with a focus on greater coordination with the software stack and a diversity of fundamentally new data algorithms.

97 MATHEMATICS AND COMPUTING↗