Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Simulation Quality”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Using Satellite‐Derived Fire Arrival Times for Coupled Wildfire‐Air Quality Simulations at Regional Scales of the 2020 California Wildfire Season

Abstract Wildfire frequency has increased in the Western US over recent decades, driven by climate change and a legacy of forest management practices. Consequently, human structures, health, and life are increasingly at risk due to wildfires. Furthermore, wildfire smoke presents a growing hazard for regional and national air quality. In response, many scientific tools have been developed to study and forecast wildfire behavior, or test interventions that may mitigate risk. In this study, we present a retrospective analysis of 1 month of the 2020 Northern California wildfire season, when many wildfires with varying environments and behavior impacted regional air quality. We simulated this period using a coupled numerical weather prediction model with online atmospheric chemistry, and compare two approaches to representing smoke emissions: an online fire spread model driven by remotely sensed fire arrival times and a biomass burning emissions inventory. First, we quantify the differences in smoke emissions and timing of fire activity, and characterize the subsequent impact on estimates of smoke emissions. Next, we compare the simulated smoke to surface observations and remotely sensed smoke; we find that despite differences in the simulated smoke surface concentrations, the two models achieve similar levels of accuracy. We present a detailed comparison between the performance and relative strengths of both approaches, and discuss potential refinements that could further improve future simulations of wildfire smoke. Finally, we characterize the interactions between smoke and meteorology during this event, and discuss the implications that increases in regional smoke may have on future meteorological conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Inferring and evaluating satellite-based constraints on NO x emissions estimates in air quality simulations

Satellite observations of tropospheric NO 2 columns can provide top-down observational constraints on emissions estimates of nitrogen oxides (NO x ). Mass-balance-based methods are often applied for this purpose but do not isolate near-surface emissions from those aloft, such as lightning emissions. Here, we introduce an inverse modeling framework that couples satellite chemical data assimilation to a chemical transport model. In the framework, satellite-constrained emissions totals are inferred using model simulations with and without data assimilation in the iterative finite-difference mass-balance method. The approach improves the finite-difference mass-balance inversion by isolating the near-surface emissions increment. We apply the framework to separately estimate lightning and anthropogenic NO x emissions over the Northern Hemisphere for 2019. Using overlapping observations from the Ozone Monitoring Instrument (OMI) and the Tropospheric Monitoring Instrument (TROPOMI), we compare separate NO x emissions inferences from these satellite instruments, as well as the impacts of emissions changes on modeled NO 2 and O 3 . OMI inferences of anthropogenic emissions consistently lead to larger emissions than TROPOMI inferences, attributed to a low bias in TROPOMI NO 2 retrievals. Updated lightning NO x emissions from either satellite improve the chemical transport model's low tropospheric O 3 bias. The combined lighting and anthropogenic emissions updates improve the model's ability to reproduce measured ozone by adjusting natural, long-range, and local pollution contributions. Thus, the framework informs and supports the design of domestic and international control strategies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Trusted Simulation: Considering Model Quality in the Context of User Trust

A high‐quality simulation model should help its users to easily and appropriately calibrate their trust in the model. Traditional evaluation metrics such as validation and robustness are necessary but insufficient for this task. Trust calibration depends on factors like the model's transparency, applicability to intended use, usability, reputation, and consideration of potential bias. This article proposes a framework for designing and evaluating system dynamics models by considering factors that contribute to the proper calibration of user trust. This framework takes inspiration from trusted artificial intelligence, broadening our traditional concept of model quality and explicitly focusing on what users need to consider a model trustworthy and to understand the model's relevance to its intended purpose. The trusted simulation framework can improve our integration of model quality activities throughout the modeling process, leading to more impactful and better‐targeted model design, development, and evaluation.

Naugle, Asmeret Bier [Sandia National Laboratories↗
DOE OSTI2024

Comparing the interactions between particulate matter and cloud properties over two populated cities in Texas using WRF-Chem fine-resolution modeling

Accurate modeling of aerosol-cloud interactions is essential for reliable weather and air quality simulations, given their significant impact on precipitation patterns, cloud dynamics, and aerosol distributions. This study employed the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) to examine the impact of enhanced meteorological simulations, achieved through advanced microphysics parameterization supported by data assimilation techniques, on air quality across Texas on August 19 and 20, 2022. We tested four distinct configurations: (1) the Morrison two-moment bulk microphysics scheme, (2) Morrison's with observation nudging, (3) the Spectral Bin Microphysics (SBM), and (4) SBM with observation nudging. While the SBM scheme is known for its detailed representation of aerosol-cloud interactions, our focus was on how improvements in meteorological accuracy translate to more precise air quality simulations. Our findings demonstrated a progressive improvement in simulation accuracy, starting with the Morrison's scheme and further enhanced by adopting the SBM scheme, complemented by incorporating observation nudging. Specifically, the combination of the SBM scheme and the nudging substantially enhanced the model's ability to capture convective precipitation events, as shown by better alignment with NEXRAD radar reflectivity, with R increasing from –0.21 to 0.82, IOA from 0.10 to 0.87, and NMB decreasing from 99% to 34% in Houston. The enhanced meteorology translated into more accurate PM 2.5 concentration simulations, particularly through the more accurate representation of aerosol washout during precipitation events. In Houston, the SBM scheme with nudging improved the model's PM 2.5 simulations significantly, with NMB decreasing from –20% to 5% and IOA improving from 0.43 to 0.61. In San Antonio, improvements were also notable, with NMB improved from –27% to –22%, R increased from 0.48 to 0.82, and IOA increased from 0.66 to 0.86. Furthermore, our results underscore the crucial role of accurate meteorological simulations in refining our understanding of aerosol behaviors in relation to precipitation patterns, directly enhancing the reliability and effectiveness of air quality modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Innovative approaches to neutron beam optimization: A case study of FP14 at LANSCE

This paper describes an experimental method to acquire high resolution energy- and spatially- resolved neutron beam spots using the time-gated neutron imaging system with Teledyne Pi-MAX4 camera. These experimental data offer a unique opportunity for benchmarking beam spot simulations. High-quality simulations depend significantly on a high-fidelity geometry model, which can be challenging for legacy facilities. We informed our MCNPX geometry model by latest metrology survey employing Leica laser tracker ATS600. It gave us a high fidelity description of our facility geometry. Such a robust integration of novel tools and methods yields a previously unattainable level of accuracy in both predicting and capturing neutron beam spots, marking a notable advancement over traditional methods reliant on static image plates. Here, to demonstrate the practical application of these tools, we are showing a non-uniform beam spot challenge at our Flight Path 14 (FP14) at the Los Alamos Neutron Science Center (LANSCE). Our precise MCNPX prediction of beam spot shifting as function of neutron energy was confirmed by experimental beam spot measured with extremely high level of detail. Results of this research demonstrate a significant leap in neutron beam optimization at LANSCE and set a new benchmark in beam spot characterization. The advanced methods presented here have potential for adoption at similar research facilities worldwide, aiming at substantial improvement in neutron beam delivery for experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Accuracy Enhancement of Nuclear Power Plant Simulators Utilizing High Accuracy Simulation Predictions

More recently, reactor core simulators for core designs associated with commercial nuclear power plants that utilize what is believed to be higher fidelity models have been developed. Features such as neutronics models that utilize transport equation solvers with fine spatial meshes and many energy-groups, thermal-hydraulic models that utilize sub-channel solvers with fine spatial mesh and capable of treating a wide range of fluid conditions, and fuel-coolant chemistry interaction models capable of treating CRUD deposition are to be found in these higher fidelity core simulators. These reactor core simulators require access to higher performance computers, characterized by many processors, cores and large memory. So associated with utilization of these simulators is access to high performance computers and ability to accommodate in one’s workflow longer execution times. By contrast, currently used core simulators by the nuclear industry can execute on engineering workstations and have execution times of seconds to minutes. The desirability for having short execution times is not only desired for support of time critical tasks but supports the mental process of decision making by engineers. The goal of the work reported upon here has the objective of retaining the fidelity of higher fidelity models while retaining the ability to utilize engineering workstations. Beyond the core simulator goal, additional goals of this work include incorporating the just described core simulator capability into a Nuclear Steam Supply System (NSSS) simulator, and to incorporate the resulting capability into an environment supportive of design and operational decision making associated with nuclear power stations. The model selected for the core neutronics model is the NESTLE code, for the core thermal-hydraulic model is the CTF code utilizing coarse mesh, and for the NSSS model is the RELAP5-3D code. WSC’s proprietary 3KEYMASTERTM platform is being used to provide software coupling, user interface, visualization, and reporting. The NESTLE core neutronics simulator was first integrated with the CTF core thermal-hydraulic simulator using CTF developed communication commands which are also used for CTF to communicate with RELAP5-3D under WSC’s proprietary 3KEYMASTERTM platform. To assure NESTLE prediction consistency with higher fidelity core neutronic simulators, buffer codes have been created to automatically generate from output files written by the VERA core simulator the NESTLE nodal neutronic parameter’ library, geometry, and pin-power reconstruction input files, thereby avoiding a number of challenges associated with utilizing lattice physics codes and providing consistency with VERA predictions. To treat absorber rod effects a multi-set library is utilized, where a set refers to a specific absorber rod fully inserted pattern. A coarse spatial mesh CTF model was developed with features added that support using CTF as envisioned in the engineering quality simulator. A hybrid meshing approach was implemented to allow for automated construction of models with mixed levels of refinement. Specifically, a core model could resolve some assemblies at a nodal level (4 subchannels per assembly) and others at a pin-resolution (one subchannel per coolant subchannel in the assembly). The intention is that this will allow for better resolution of limiting conditions such as DNBR and PCT, which are based on local rod and subchannel conditions. Further development was done of features that enhance the capabilities for the envisioned engineering quality simulator that has been developed, but now for RELAP-3D. The RELAP5-3D code development includes ability to model more than 999 components and the addition of the cross-channels turbulence mixing model and the void drift model that are implemented in CTF, aiming to achieve closer prediction agreement of the two codes for transient simulations, specifically, more accurate matches of the overall mass, momentum, and energy exchanges of both the liquid and gas phases between the neighboring core assemblies. Graphics were also developed for the Instructor Station for this project under WSC’s proprietary 3KEYMASTERTM platform to facilitate design and operational decision making.

42 ENGINEERING↗
DOE OSTI2022

Simulation process and data flow for a large system dynamics model

This paper documents the workflow and supporting technologies that a large system dynamics model, the biomass scenario model, employs to streamline the data preparation, simulation, quality control, and analysis process at the National Renewable Energy Laboratory. The workflow centers on automation of routine aspects of the flow of data between data stores, simulations, and visualizations. It enforces quality checks on data, reproducibility of computations, and traceability of results, while maintaining complete archives of modeling and analysis artifacts. The resulting frictionless simulation/analysis environment supports large-scale sensitivity analysis, interactive creation of ensembles of simulations, and rapid visualization-based exploration of simulation results.

09 BIOMASS FUELS↗
DOE OSTI2024

Differentiable Simulation of a Liquid Argon Time Projection Chamber

Liquid argon time projection chambers (LArTPCs) are widely used in particle detection for their tracking and calorimetric capabilities. The particle physics community actively builds and improves high-quality simulators for such detectors in order to develop physics analyses in a realistic setting. The ability of these simulators to mimic real, measured data is limited by the modeling of the physical detectors used for data collection. This modeling can be improved by performing dedicated calibration measurements. Conventional approaches calibrate individual detector parameters or processes one at a time. However, the impact of detector processes is entangled, making this a poor description of the underlying physics. We introduce a differentiable simulator that enables a gradient-based optimization, allowing for the first time a simultaneous calibration of all detector parameters. We describe the procedure of making a differentiable simulator, highlighting the challenges of retaining the physics quality of the standard, non-differentiable version while providing meaningful gradient information. We further discuss the advantages and drawbacks of using our differentiable simulator for calibration. Finally, we provide a starting point for extensions to our approach, including applications of the differentiable simulator to physics analysis pipelines.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Generative adversarial networks for scintillation signal simulation in EXO-200

Generative Adversarial Networks trained on samples of simulated or actual events have been proposed as a way of generating large simulated datasets at a reduced computational cost. In this work, a novel approach to perform the simulation of photodetector signals from the time projection chamber of the EXO-200 experiment is demonstrated. The method is based on a Wasserstein Generative Adversarial Network — a deep learning technique allowing for implicit non-parametric estimation of the population distribution for a given set of objects. Our network is trained on real calibration data using raw scintillation waveforms as input. We find that it is able to produce high-quality simulated waveforms an order of magnitude faster than the traditional simulation approach and, importantly, generalize from the training sample and discern salient high-level features of the data. In particular, the network correctly deduces position dependency of scintillation light response in the detector and correctly recognizes dead photodetector channels. Furthermore, the network output is then integrated into the EXO-200 analysis framework to show that the standard EXO-200 reconstruction routine processes the simulated waveforms to produce energy distributions comparable to that of real waveforms. Finally, the remaining discrepancies and potential ways to improve the approach further are highlighted.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Resolved photons in S HERPA

We present the first complete simulation framework, in the SHERPA event generator, for resolved photon interactions at next-to leading order accuracy. It includes photon spectra obtained through the equivalent-photon approximation, parton distribution functions to parametrize the hadronic structure of quasi-real photons, the matching of the parton shower to next-to leading order QCD calculations for resolved photon cross sections, and the modelling of multiple-parton interactions. We validate our framework against a wide range of photo-production data from LEP and HERPA experiments, observing good overall agreement. We identify important future steps relevant for high-quality simulations at the planned Electron–Ion Collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Modeling the Air Quality Impacts of Future Energy Scenarios

Many greenhouse gas (GHG) emission reduction measures achieve simultaneous reductions in air pollutants. Human-Earth system models can estimate such emission changes in the energy system but using them in chemistry-transport models (CTMs) to study their air quality impacts involves resource-intensive emissions processing. This is greatly simplified by an emissions scaling approach linking state-level emissions estimated by a human-Earth system model to a CTM. A scenario continuing pre-2022 energy policy in the U.S. to 2050 shows widespread air quality improvements over the 2015 baseline from SO 2 and NO x emission reductions of 50–80% from electricity generation and light-duty vehicles. Scenarios of GHG mitigation and vehicle electrification at the state and national level add further benefits. However, PM 2.5 increases from increased use of wood heating and bioenergy suggest that additional PM 2.5 management may be needed when using biofuels. In conclusion, this approach helps assess multiple future energy scenarios efficiently without sacrificing chemical detail in the air quality simulations.

air quality↗
DOE OSTI2025

Global River Topology (GRIT): A Bifurcating River Hydrography

Existing global river networks underpin a wide range of hydrological applications but do not represent channels with divergent river flows (bifurcations, multi‐threaded channels, canals), as these features defy the convergent flow assumption that elevation‐derived networks (e.g., HydroSHEDS, MERIT Hydro) are based on. Yet, bifurcations are important features of the global river drainage system, especially on large floodplains and river deltas, and are also often found in densely populated regions. Here we developed the first raster and vector‐based Global RIver Topology that not only represents the tributaries of the global drainage network but also the distributaries, including multi‐threaded rivers, canals and deltas. We achieve this by merging a 30 m Landsat‐based river mask with elevation‐generated streams to ensure a homogeneous drainage density outside of the river mask for rivers narrower than approximately 30 m. Crucially, we employ the new 30 m digital terrain model, FABDEM, based on TanDEM‐X, which shows greater accuracy over the traditionally used SRTM derivatives. After vectorization and pruning, directionality is assigned by a series of elevation, flow angle and continuity approaches. The new global network and its attributes are validated using gauging stations, comparison with existing networks, and randomized manual checks. The new network represents 19.6 million km of streams and rivers with drainage areas greater than 50 km 2 and includes 67,495 bifurcations. With the advent of hyper‐resolution modeling and artificial intelligence, GRIT is expected to greatly improve the accuracy of many river‐based applications such as flood forecasting, water availability and quality simulations, or riverine habitat mapping.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Physics model enhancements in MARLEY version 2

Large next-generation neutrino detectors, such as those designed for accelerator-based oscillation experiments, are expected to have impressive sensitivity to MeV astrophysical neutrinos generated by the Sun and by supernovae. There are also numerous related prospects to search for MeV-scale phenomena beyond the Standard Model. In contrast to detectors constructed with water and hydrocarbon targets, which will be primarily sensitive to electron antineutrinos via inverse beta decay, the upcoming Deep Underground Neutrino Experiment (DUNE) will provide unparalleled capabilities to measure low-energy electron neutrinos from cosmic sources. Interpreting such future measurements in DUNE will require a high-quality simulation of MeV interaction physics in the argon nucleus. The MARLEY (Model of Argon Reaction Low Energy Yields) neutrino event generator has been designed with the goal of delivering the needed simulation capabilities for DUNE and other argon-based neutrino detectors. In this poster, I will present recent improvements to MARLEY's suite of interaction models, which will be released for general use by the neutrino community in version 2 of the software.

Gardiner, Steven James [Fermilab] (ORCID:000000028↗
DOE OSTI2026

Physics model enhancements in MARLEY version 2

Large next-generation neutrino detectors, such as those designed for accelerator-based oscillation experiments, are expected to have impressive sensitivity to MeV astrophysical neutrinos generated by the Sun and by supernovae. There are also numerous related prospects to search for MeV-scale phenomena beyond the Standard Model. In contrast to detectors constructed with water and hydrocarbon targets, which will be primarily sensitive to electron antineutrinos via inverse beta decay, the upcoming Deep Underground Neutrino Experiment (DUNE) will provide unparalleled capabilities to measure low-energy electron neutrinos from cosmic sources. Interpreting such future measurements in DUNE will require a high-quality simulation of MeV interaction physics in the argon nucleus. The MARLEY (Model of Argon Reaction Low Energy Yields) neutrino event generator has been designed with the goal of delivering the needed simulation capabilities for DUNE and other argon-based neutrino detectors. In this talk, I will present recent improvements to MARLEY's physics models, which will be released for general use by the neutrino community in version 2 of the software.

Gardiner, Steven James [Fermilab] (ORCID:000000028↗
DOE OSTI2026

BSEC ecohydrological and water quality fluxes from RHESSys Simulations in USGS gauged watersheds

Baltimore Environmental Social Collaborative (BSEC) Water and Water Quality Simulations from RHESSys Model The repository contains RHESSys (Tague & Band, 2004; source code) simulated ecohydrological and nutrient (nitrogen only) fluxes at daily, basin-average (RHESSys_basin_output) and monthly, grid (RHESSys_patch_output) levels. We currently simulated the following 8 watersheds in Baltimore: Dead Run Baisman Run Scotts Level Branch Moores Run Powder Mill Run Maidens Choice Run Stony Run The watershed boundaries of all studied watersheds are stored in Watershed_Boundary folder. Variables and their units are listed in the metadata. Spatial projection, NAD83 / UTM zone 18N (EPSG:26918) is used for patch-level, netCDF-format files. For more information, please contact Ruoyu Zhang (rz3jr@virginia.edu).

Baltimore MD↗
DOE OSTI2025

Sensitivity of Regional WRF‐Chem Air Quality and Weather Simulations to Biomass‐Burning Emission Data Sets: A Case Study of the Impact of Canadian Wildfire on the US°

This study focuses on the period from June 26 to 29, 2023, when record‐breaking Canadian wildfires severely impacted air quality in the Midwest United States. Using the Weather Research and Forecasting Model with Chemistry (WRF‐Chem) and four biomass‐burning data sets (Fire Inventory from NCAR version 1, Fire Inventory from NCAR version 2.5, Quick Fire Emissions Data set [QFED], and Regional ABI‐VIIRS Emission), we analyzed aerosol transport from Canada to the US and assessed the model's accuracy in predicting PM 2.5 , O 3 , CO and aerosol weather feedback. Model simulations were compared with ground‐based and remote sensing observations as well as field measurements from the Community Research on Climate and Urban Science (CROCUS) project. Our findings show that the movement of a low‐pressure system from the Great Lakes to the Atlantic, combined with the high‐pressure system over the Atlantic, caused the transport of aerosols from Canadian wildfires to the US. Results show WRF‐Chem significantly underestimated key atmospheric components: aerosol optical depth (AOD) by over 50%, PM 2.5 by 65%–90% and peak O 3 concentrations by 50%–55% across four biomass burning data sets. Additionally, CO and NO 2 concentrations were underpredicted. The substantial underestimation of PM 2.5 led to an overestimation of temperature by up to 3.6 °C primarily due to excessive downward shortwave radiation, which resulted from the underestimation of direct aerosol effects and an increase in sensible heat flux. Among the biomass‐burning data sets, QFED produced the most accurate AOD and PM 2.5 predictions due to improved wildfire emission estimates, leading to a 1.0 to 1.5 °C reduction in temperature overestimation during the daytime. These findings underscore the need for improving wildfire emission estimates for trace gases and aerosols to enhance air quality and weather feedback predictions.

WRF-chem model↗
DOE OSTI2025

Digital Real-Time Simulation and Power Quality Analysis of a Hydrogen-Generating Nuclear-Renewable Integrated Energy System

This paper investigates the challenges and solutions associated with integrating a hydrogen-generating nuclear-renewable integrated energy system (NR-IES) under a transactive energy framework. The proposed system directs excess nuclear power to hydrogen production during periods of low grid demand while utilizing renewables to maintain grid stability. Using digital real-time simulation (DRTS) in the Typhoon HIL 404 model, the dynamic interactions between nuclear power plants, electrolyzers, and power grids are analyzed to mitigate issues such as harmonic distortion, power quality degradation, and low power factor caused by large non-linear loads. A three-phase power conversion system is modeled using the Typhoon HIL 404 model and includes a generator, a variable load, an electrolyzer, and power filters. Active harmonic filters (AHFs) and hybrid active power filters (HAPFs) are implemented to address harmonic mitigation and reactive power compensation. The results reveal that the HAPF topology effectively balances cost efficiency and performance and significantly reduces active filter current requirements compared to AHF-only systems. During maximum electrolyzer operation at 4 MW, the grid frequency dropped below 59.3 Hz without filtering; however, the implementation of power filters successfully restored the frequency to 59.9 Hz, demonstrating its effectiveness in maintaining grid stability. Future work will focus on integrating a deep reinforcement learning (DRL) framework with real-time simulation and optimizing real-time power dispatch, thus enabling a scalable, efficient NR-IES for sustainable energy markets.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Global anthropogenic emissions (CAMS-GLOB-ANT) for the Copernicus Atmosphere Monitoring Service simulations of air quality forecasts and reanalyses

Anthropogenic emissions are the result of many different economic sectors, including transportation, power generation, industrial, residential and commercial activities, waste treatment and agricultural practices. Air quality models are used to forecast the atmospheric composition, analyze observations and reconstruct the chemical composition of the atmosphere during the previous decades. In order to drive these models, gridded emissions of all compounds need to be provided. This paper describes a new global inventory of emissions called CAMS-GLOB-ANT, developed as part of the Copernicus Atmosphere Monitoring Service (CAMS; https://doi.org/10.24380/eets-qd81, Soulie et al., 2023). The inventory provides monthly averages of the global emissions of 36 compounds, including the main air pollutants and greenhouse gases, at a spatial resolution of 0.1° × 0.1° in latitude and longitude, for 17 emission sectors. The methodology to generate the emissions for the 2000–2023 period is explained, and the datasets are analyzed and compared with publicly available global and regional inventories for selected world regions. Depending on the species and regions, good agreements as well as significant differences are highlighted, which can be further explained through an analysis of different sectors as shown in the figures in the Supplement.

54 ENVIRONMENTAL SCIENCES↗