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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.

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At least 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
NASA NTRS2024

Future CH4 Budgets as Modelled By A Fully Coupled Earth System Model Using Prescribed GHG Concentrations vs. Interactive CH4 Sources and Sinks

We have used the NASA Goddard Institute for Space Studies (GISS) Earth system model GISS-E2.1 to study the future budgets and trends of global and regional CH4 under different emission scenarios. GISS-E2.1 is one of the few ESMs that can be driven by anthropogenic CH4 emissions, as well as interactive natural sources such as wetlands, and can simulate the tropospheric CH4 chemistry. In frame of the recent short-lived climate forcers (SLCFs) assessment by the Arctic Monitoring and Assessment Programme (AMAP), we used the GISS-E2.1 model with prescribed long-lived greenhouse gas (GHG) concentrations. In the present study, we have supplemented these simulations using the interactive CH4 sources and sinks in order to quantify the model performance and the sensitivity to CH4 sources and sinks. We have used the Current Legislation (CLE) and the Maximum Feasible Reduction (MFR) emission scenarios from the Eclipse V6b emission database to simulate the future chemical composition and climate impacts from 2015 to 2050. We have also simulated 1995-2014 in order to evaluate the model performance following the AMAP-SLCF protocol. The prescribed GHG version underestimates the Global Atmospheric Watch (GAW) surface CH4 observations during the period between 1995 and 2023 by 1% [-8.4%-2.0%], with a correlation (r) of 0.71 [-0.41 0.99]. The largest underestimations are over the continental emission regions such as North America, Europe, and Asia, while biases are smallest over oceans. On the other hand, the simulation with interactive sources and sinks underestimates the GAW observations more than the prescribed simulation, by 18.5% [-25% -10.4%], with a lower r of 0.36 [-0.82 0.93]. Opposite to the prescribed simulation, the biases are largest over oceans and smaller over the continents, however they are still larger over land than the prescribed simulation. The interactive simulation, with large sources virtually over land and strong sink over oceans, has a land/ocean ratio larger than 1 while the prescribed simulation has this ratio equal to 1 as it distributes the global prescribed CH4 concentration equally in longitude over a given latitude. This clearly shows that the interactive sources and sinks should be represented in models in order to realistically simulate the chemical composition and the oxidative capacity of the atmosphere. As expected, the MFR scenario simulates lower global surface CH4 concentrations and burdens compared to the CLE scenario, however in both cases, global surface CH4 and burden continue to increase through 2050 compared to present day. In the CLE scenario, increases are largest over the equatorial belt, in particular over India and East China, while the MFR scenario shows increases over the whole Southern Hemisphere, however much smaller compared to CLE. Finally, the interactive simulation shows that the chemical CH4 sink increases in the CLE scenario, while it slightly decreases in the MFR, leading to a larger CH4 lifetime in the MFR scenario compared to in the CLE scenario.

CH4↗
NASA NTRS2024

Enabling Advanced Snow Physics within Land Surface Models Through an Interoperable Model-Physics Coupling Framework

Accurate estimation of snow accumulation and melt is a critical part of decision-making in snow-dominated watersheds. In this study, we demonstrate a flexible methodology to couple a detailed snow model, Crocus, separately to two different land surface models (LSMs), Noah-MP and Noah. The original LSMs and the coupled models (Noah-MP-Crocus and Noah-Crocus) are used to simulate snow depth, snow water equivalent, and other water and energy states and fluxes. The results of simulations are compared against a wide range of independent gridded and point scale reference datasets. Our results show that coupling the detailed snow model, Crocus, with the LSMs improves the snow depth and snow water equivalent relative to independent observations. Overall, larger improvements are obtained with coupling Crocus to the Noah LSM, with the coupled Noah-Crocus configuration reducing the RMSE and bias of snow depth from 2-12% and 57-75%, respectively, relative to Snow Data Assimilation System (SNODAS) and snow product from the University of Arizona. On the other hand, smaller improvements are obtained by coupling Crocus with Noah-MP. The Coupled Noah-MP-Crocus reduces the snow depth bias but slightly degrades the RMSE of snow depth and snow water equivalent. The corresponding impacts in other water budget terms such as evapotranspiration, soil moisture, and streamflow, however, are mixed, pointing to the significant need to improve the coupling assumptions of these processes within land models. Overall, the interoperable coupling framework demonstrated here offers the opportunity to include more detailed snow physics and processes, and to advance data assimilation systems through improved exploitation of information from snow remote sensing instruments.

Snow model↗
DOE OSTI2018

CSP-Plant Modeling Guidelines and Compliance of the System Advisor Model (SAM): Preprint

Accurately modeling risks, costs, and electricity output is essential to the financing and advancement of concentrating solar power projects. To address this need, a group of CSP experts created a guideline document, titled SolarPACES Guideline for Bankable STE Yield Assessment (1). To make this information more accessible and allow stakeholders to test specific models against the recommendations, the guidelines have been condensed into a spreadsheet-based checklist. The checklist was applied to NREL's System Advisory Model (SAM) CSP modeling software, providing useful feedback to both the checklist group and the SAM development team. This study showed a strong agreement between SAM and the guidelines, demonstrated the use of the guidelines in model validation, and resulted in several recommended improvements to SAM.

14 SOLAR ENERGY↗
DOE OSTI2024

Fuel Performance Modeling Status Update and Potential Model Improvements

Fuel performance modeling status update and potential model improvements overview of TRISO fuel performance modeling codes PARFUME/BISON, AGR experiment support, potential modeling improvements, BISON smeared cracking model, BISON fission product source term, and AGR-3/4 reirradiation heating test.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Modeling atmospheric data and identifying dynamics Temporal data-driven modeling of air pollutants

Atmospheric modelling has recently experienced a surge with the advent of deep learning. Most of these models, however, predict concentrations of pollutants following a data-driven approach in which the physical laws that govern their behaviors and relationships remain hidden. Furthermore, with the aid of real-world air quality data collected hourly in different stations throughout Madrid, we present a case study using a series of data-driven techniques with the following goals: (1) Find systems of ordinary differential equations that model the concentration of pollutants and their changes over time; (2) assess the performance and limitations of our model using stability analysis; (3) reconstruct the time series of chemical pollutants not measured in certain stations using delay coordinate embedding results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Model Data Archive for Manuscript Titled "Evaluation of a Coupled Surface–Subsurface Hydrologic Model Using Dense Water‑Level Sensors in a Mixed Urban–Rural Watershed"

This archive provides scripts, input files, and datasets used for the implementation and evaluation of a fully coupled surface–subsurface hydrologic model in the Neches River Basin, southeast Texas. The study uses the Advanced Terrestrial Simulator (ATS) to simulate coupled surface–subsurface hydrologic processes over a mixed urban–rural watershed and evaluates model performance using a dense network of 136 in situ water-level sensors, nine U.S. Geological Survey (USGS) stream gauges, and SSEBop-derived evapotranspiration estimates during the period October 2014–June 2024. The workflow is implemented primarily in Python 3 using the Watershed Workflow package. The Jupyter notebooks can be executed using open-source software such as Anaconda JupyterLab or Visual Studio Code. Other data files include TXT, CSV, XML, SHP, TIF, NetCDF, HDF5, and ExodusII files, which can be processed using the provided Python scripts. ATS input files are provided in XML format and can be edited using any commonly used text editor. This archive contains: *Scripts and input files used to generate the ATS model setup, including watershed discretization, mesh generation, parameter mapping, and model configuration. *Jupyter notebooks used for preprocessing observational data, evaluating streamflow, water levels, and evapotranspiration, computing performance metrics, and generating the figures presented in the manuscript. *ATS simulation outputs and processed observational datasets, including OneRain and DD6 water-level sensors, USGS streamflow observations, GIS data, and supporting spatial datasets used throughout the study.

Dense water-level sensor network↗
DOE OSTI2018

Interface and embedded joint methods for modeling dynamic fracture opening by explosive products [Two methods for modeling dynamic fracture opening by explosive products]

Two computational approaches are proposed in the paper to model dynamic fracture opening by explosive products. The first method assumes that the fractures may be modeled using flow elements embedded along the mesh lines. This method models crack opening in a straightforward way by splitting the nodes of the computational grid. It can account for crack branching; however, the crack directions are constrained by existing mesh faces, which may lead to mesh dependence. Also, the stress in flow elements is calculated explicitly separate from the surrounding solid elements that can impose additional limits on the time step stability condition for explicit integration. The second approach uses embedded flow elements to model the cracks. Typical thickness of the cracks is much smaller than the element size. Therefore, gas pressure in the cracks is assumed to be in stress equilibrium with the element stress. To achieve this, the crack thickness and the state of the gas is updated simultaneously with the state of the solid element which contains the crack. Therefore, the time step is controlled by the explicit solver applied for the solid and does not depend on the thickness of the crack. In conclusion, the main disadvantage of the second approach is due to the complexity of modeling multiple intersecting cracks, which go through the same element. We discuss the areas of possible applications of these 2 methods and the ways to improve and enhance them for future practical applications.

58 GEOSCIENCES↗
DOE OSTI2020

Learning compact physics‐aware delayed photocurrent models using dynamic mode decomposition

Abstract Radiation‐induced photocurrent in semiconductor devices can be simulated using complex physics‐based models, which are accurate, but computationally expensive. This presents a challenge for implementing device characteristics in high‐level circuit simulations where it is computationally infeasible to evaluate detailed models for multiple individual circuit elements. In this work we demonstrate a procedure for learning compact delayed photocurrent models that are efficient enough to implement in large‐scale circuit simulations, but remain faithful to the underlying physics. Our approach utilizes dynamic mode decomposition (DMD), a system identification technique for learning reduced‐order discrete‐time dynamical systems from time series data based on singular value decomposition. To obtain physics‐aware device models, we simulate the excess carrier density induced by radiation pulses by solving numerically the ambipolar diffusion equation, then use the simulated internal state as training data for the DMD algorithm. Our results show that the significantly reduced‐order delayed photocurrent models obtained via this method accurately approximate the dynamics of the internal excess carrier density—which can be used to calculate the induced current at the device boundaries—while remaining compact enough to incorporate into larger circuit simulations.

Hanson, Joshua↗
DOE OSTI2019

Constraints on mediator-based dark matter and scalar dark energy models using $\sqrt{s}$ = 13 TeV pp collision data collected by the ATLAS detector

Constraints on selected mediator-based dark matter models and a scalar dark energy model using up to 37 fb ₋1 $\sqrt{s}$ = 13 TeV pp collision data collected by the ATLAS detector at the LHC during 2015-2016 are summarised in this paper. The conclusions of experimental searches in a variety of final states are interpreted in terms of a set of spin-1 and spin-0 single-mediator dark matter simplified models and a second set of models involving an extended Higgs sector plus an additional vector or pseudo-scalar mediator. The searches considered in this paper constrain spin-1 leptophobic and leptophilic mediators, spin-0 colour-neutral and colour-charged mediators and vector or pseudo-scalar mediators embedded in extended Higgs sector models. In this case, also $\sqrt{s}$ = 8 TeV pp collision data are used for the interpretation of the results. The results are also interpreted for the first time in terms of light scalar particles that could contribute to the accelerating expansion of the universe (dark energy).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

A non-uniform corrosion model and meso-scale fracture modelling of concrete

Corrosion-induced concrete cracking is a significant durability problem for reinforced concrete structures. Considerable research has been carried out in the last few decades to understand and model the expansion mechanism of the corrosion products around the reinforcing bar and simulate the cracking behaviour of the concrete cover. In this paper, a new corrosion model based on non-uniform corrosion expansion is formulated and validated against experimental data. A meso-scale fracture model, consisting of aggregates, cement paste/mortar and ITZ, is established for the cases of both middle and side reinforcing bars. Under the developed corrosion and concrete fracture model, the cracking phenomena of the concrete cover are accurately simulated. It has been found that the non-uniform corrosion model can be used to express the realistic corrosion rust progression around the reinforcing bar, with the best accuracy. It has also been found that some microcracks occur before they are connected to form the dominating discrete crack which usually appears on the concrete surface. Moreover, the effects of the corrosion variables, as well as other key material and geometric parameters, on surface cracking of concrete are investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A microstructure-based modeling approach to predict the mechanical properties of Zr alloy with hydride precipitates

In nuclear reactors, hydrides can form in fuel cladding due to hydrogen absorption in ZIrcaloy and cause embrittlement. This work presents a microstructure-based finite element model to predict the stress-strain response of Zircaloy containing hydrides. Quantitative microstructural details extracted from scanning electron microscopy (SEM) images were used to generate heterogeneous microstructures including the morphology and spatial distribution of hydrides. The constitutive material model for zircaloy in this study is based on crystal plasticity theory which considers the hexagonal close-packed (HCP) atomic structure of Zircaloy material. The hydrides were modeled as brittle material along with a damage model. Hydride formation inside the zircoloy matrix results in residual stress. This phenomenon is also captured in this model. A parametric study has been conducted to understand the effect of volume fraction, orientation, and lamellae thickness of the hydride phase on the mechanical properties of the overall material.

Kulkarni, Shank S.↗
DOE OSTI2022

Leaching Model of Radionuclides in Metal-Organic Framework Particles

Metal-organic frameworks (MOFs) have been used to sequester radionuclides and seal them inside of porous scaffolds using postsynthetic modification procedures. Experiments show that certain Zr-MOF with different capping linkers significantly affects the radionuclide release kinetics. In this work, we developed a leaching model of radionuclides in Zr-MOF particles. The model assumes that uranyl species occupy two energetically favored sites: the metal node and the MOF pores. For a given overall concentration of uranyl species, the partitions of uranyl species at the metal nodes and within the pores are determined by their chemical potentials. The model also considers the effect of particle surface and concentration on chemical potentials and diffusivity. The effects of spatial and structural dependent chemical potentials and diffusivity as well as particle sizes on leaching kinetics are investigated with the model. Predicted and measured uranyl leaching kinetics in Zr-MOF particles under batch experiments are compared. The results demonstrate the model’s capability for exploring the mechanisms of leaching and provide guidance for material design.

Metal-Organic Framework, Diffusion, uranyl, Leachi↗
DOE OSTI2017

A framework for modeling and optimizing dynamic systems under uncertainty

Algebraic modeling languages (AMLs) have drastically simplified the implementation of algebraic optimization problems. However, there are still many classes of optimization problems that are not easily represented in most AMLs. These classes of problems are typically reformulated before implementation, which requires significant effort and time from the modeler and obscures the original problem structure or context. In this work we demonstrate how the Pyomo AML can be used to represent complex optimization problems using high-level modeling constructs. We focus on the operation of dynamic systems under uncertainty and demonstrate the combination of Pyomo extensions for dynamic optimization and stochastic programming. We use a dynamic semibatch reactor model and a large-scale bubbling fluidized bed adsorber model as test cases.

97 MATHEMATICS AND COMPUTING↗