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Results for “Coupled process modeling”

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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Theory and experiment of low transitions in CO discharge lasers

A self-consistent model which couples the kinetics of the electrons and heavy particles with the optical and fluid dynamic processes has been employed to identify the various parameters and explain the mechanism responsible for producing low-lying transitions in slow-flowing CO lasers. Both theory and experiment indicate that low-lying transitions can be achieved at low temperatures for low pressures (or low-flow rates) together with high partial pressures of He and N2. The role of N2 has been identified as an additive responsible for reducing the electron temperature to a range where the transfer of electrical power to the lower vibrational modes of CO is optimum.

Sidney, B.↗
NASA NTRS1976

Theory of low transitions in CO discharge lasers

A self consistent theoretical model which couples the electron and heavy particle finite rate kinetics with the optical and fluid dynamic processes has been employed to identify the various parameters and explain the mechanism responsible for producing low lying transitions in slow flowing CO lasers. It is found that lasing on low lying transitions can be achieved at low temperatures for low pressures (or low flow rates) together with high partial pressures of the He and N2. The role of N2 has been identified as an additive responsible for reducing the electron temperature to a range where the transfer of electrical power to the lower vibrational modes of CO is optimum.

Sidney, B. D.↗
NASA NTRS1989

Eigensolution of finite element problems in a completely connected parallel architecture

A parallel algorithm for the solution of the generalized eigenproblem in linear elastic finite element analysis, (K)(phi)=(M)(phi)(omega), where (K) and (M) are of order N, and (omega) is of order q is presented. The parallel algorithm is based on a completely connected parallel architecture in which each processor is allowed to communicate with all other processors. The algorithm has been successfully implemented on a tightly coupled multiple-instruction-multiple-data (MIMD) parallel processing computer, Cray X-MP. A finite element model is divided into m domains each of which is assumed to process n elements. Each domain is then assigned to a processor, or to a logical processor (task) if the number of domains exceeds the number of physical processors. The macro-tasking library routines are used in mapping each domain to a user task. Computational speed-up and efficiency are used to determine the effectiveness of the algorithm. The effect of the number of domains, the number of degrees-of-freedom located along the global fronts and the dimension of the subspace on the performance of the algorithm are investigated. For a 64-element rectangular plate, speed-ups of 1.86, 3.13, 3.18 and 3.61 are achieved on two, four, six and eight processors, respectively.

Akl, Fred A.↗
NASA NTRS1998

Martian Meteorology: Determination of Large Scale Weather Patterns from Surface Measurements

We employed numerical modelling of the martian atmosphere, and our expertise in understanding martian atmospheric processes, to better understand the coupling between lower and upper atmosphere processes. One practical application of this work has been our involvement with the ongoing atmospheric aerobraking which the Mars Global Surveyor (MGS) spacecraft is currently undergoing at Mars. Dr. Murphy is currently a member of the Mars Global Surveyor (MGS) Aerobraking Atmospheric Advisory Group (AAG). He was asked to participate in this activity based upon his knowledge of martian atmospheric dynamical processes. Aerobraking is a process whereby a spacecraft, in an elliptical orbit, passes through the upper layers of the atmosphere (in this instance Mars). This passage through the atmosphere 'drags' upon the spacecraft, gradually reducing its orbital velocity. This has the effect, over time, of converting the elliptical orbit to a circular orbit, which is the desired mapping orbit for MGS. Carrying out aerobraking eliminates the need for carrying large amounts of fuel on the spacecraft to execute an engine burn to achieve the desired orbit. Eliminating the mass of the fuel reduces the cost of launch. Damage to one of MGS's solar panels shortly after launch has resulted in a less aggressive extended in time aerobraking phase which will not end until March, 1999. Phase 1 extended from Sept. 1997 through March 1998. During this time period, Dr. Murphy participated almost daily in the AAG meetings, and beginning in December 1997 lead the meeting several times per week. The leader of each of the daily AAG meetings took the results of that meeting current state of the atmosphere, identification of any time trends or spatial patterns in upper atmosphere densities, etc.) forward to the Aerobraking Planning Group (APG) meeting, at which time the decision was made to not chance MGS orbit, to lower the orbit to reach higher densities (greater 'drag'), or raise the orbit to avoid experiencing excessive, possibly damaging densities.

Murphy, James R.↗
NASA NTRS1998

Martian Meteorology: Determination of Large Scale Weather Patterns from Surface Measurements

We employed numerical modelling of the martian atmosphere, and our expertise in understanding martian atmospheric processes, to better understand the coupling between lower and upper atmosphere processes. One practical application of this work has been our involvement with the ongoing atmospheric aerobraking which the Mars Global Surveyor (MGS) spacecraft is currently undergoing at Mars. Dr. Murphy is currently a member of the Mars Global Surveyor (MGS) Aerobraking Atmospheric Advisory Group (AAG). He was asked to participate in this activity based upon his knowledge of martian atmospheric dynamical processes. Aerobraking is a process whereby a spacecraft, in an elliptical orbit, passes through the upper layers of the atmosphere (in this instance Mars). This passage through the atmosphere 'drags'upon the spacecraft, gradually reducing its orbital velocity. This has the effect, over time, of converting the elliptical orbit to a circular orbit, which is the desired mapping orbit for MGS. Carrying out aerobraking eliminates the need for carrying large amounts of fuel on the spacecraft to execute an engine burn to achieve the desired orbit. Eliminating the mass of the fuel reduces the cost of launch. Damage to one of MGS's solar panels shortly after launch has resulted in a less aggressive extended in time aerobraking phase which will not end until March, 1999. Phase I extended from Sept. 1997 through March 1998. During this time period, Dr. Murphy participated almost daily in the AAG meetings, and beginning in December 1997 lead the meeting several times per week. The leader of each of the daily AAG meetings took the results of that meeting (current state of the atmosphere, identification of any time trends or spatial patterns in upper atmosphere densities, etc.) forward to the Aerobraking Planning Group (APG) meeting, at which time the decision was made to not change MGS orbit, to lower the orbit to reach higher densities (greater 'drag'), or raise the orbit to avoid experiencing excessive, possibly damaging densities.

Murphy, James R.↗
NASA NTRS2000

The Northeast Monsoon's Impact on Mixing, Phytoplankton Biomass and Nutrient Cycling in the Arabian Sea

In the northern Arabian Sea, atmospheric conditions during the Northeast (winter) Monsoon lead to deep convective mixing. Due to the proximity of the permanent pyncnocline to the sea surface, this mixing does not penetrate below 125 m. However, a strong nitracline is also present and the deep convection results in significant nitrate flux into the surface waters. This leads to nitrate concentrations over the upper 100 m that exceed 4 micrometers toward the end of the Monsoon. During the 1994/1995 US JGOFS/Arabian Sea expedition, the mean areal gross primary production over two successive Northeast Monsoons was determined to be 1.35gC/sq m/d. Thus, despite the deep penetrative convection, high rates of primary productivity were maintained. An interdisciplinary model was developed to elucidate the biogeochemical processes involved in supporting the elevated productivity. This model consists of a 1-D mixed-layer model coupled to a set of equations that tracked phytoplankton growth and the concentration of the two major nutrients (nitrate and ammonium). Zooplankton grazing was parameterized by rate constant determined by shipboard experiments. Model boundary conditions consist of meteorological time-series measured from the surface buoy that was part of the ONR Arabian Sea Experiment's central mooring. Our numerical experiments show that elevated surface evaporation, and the associated salinization of the mixed layer, strongly contributes to the frequency and penetration depth of the observed convective mixing. Cooler surface temperatures, increased nitrate entrainment, reduced water column stratification, and lower near-surface chlorophyll a concentrations all result from this enhanced mixing. The model also captured a dependence on regenerated nitrogen observed in nutrient uptake experiments performed during the Northeast Monsoon. Our numerical experiments also indicate that variability in mean pycnocline depth causes up to a 25% reduction in areal chlorophyll a concentration. We hypothesize that such shifts in pycnocline depth may contribute to the interannual variations in primary production and surface chlorophyll a concentration that have been previously observed in this region.

Wiggert, J. D.↗
NASA NTRS2005

SmaggIce 2D Version 1.8: Software Toolkit Developed for Aerodynamic Simulation Over Iced Airfoils

SmaggIce 2D version 1.8 is a software toolkit developed at the NASA Glenn Research Center that consists of tools for modeling the geometry of and generating the grids for clean and iced airfoils. Plans call for the completed SmaggIce 2D version 2.0 to streamline the entire aerodynamic simulation process--the characterization and modeling of ice shapes, grid generation, and flow simulation--and to be closely coupled with the public-domain application flow solver, WIND. Grid generated using version 1.8, however, can be used by other flow solvers. SmaggIce 2D will help researchers and engineers study the effects of ice accretion on airfoil performance, which is difficult to do with existing software tools because of complex ice shapes. Using SmaggIce 2D, when fully developed, to simulate flow over an iced airfoil will help to reduce the cost of performing flight and wind-tunnel tests for certifying aircraft in natural and simulated icing conditions.

Choo, Yung K.↗
NASA NTRS2011

Improved Hypoxia Modeling for Nutrient Control Decisions in the Gulf of Mexico

The Gulf of Mexico Modeling Framework is a suite of coupled models linking the deposition and transport of sediment and nutrients to subsequent bio-geo chemical processes and the resulting effect on concentrations of dissolved oxygen in the coastal waters of Louisiana and Texas. Here, we examine the potential benefits of using multiple NASA remote sensing data products within this Modeling Framework for increasing the accuracy of the models and their utility for nutrient control decisions in the Gulf of Mexico. Our approach is divided into three components: evaluation and improvement of (a) the precipitation input data (b) atmospheric constituent concentrations in EPA's air quality/deposition model and (c) the calculation of algal biomass, organic carbon and suspended solids within the water quality/eutrophication models of the framework.

Habib, Shahid↗
DOE OSTI2013

A Dual Regime Reactive Transport Model for Simulation of High Level Waste Tank Closure Scenarios - 13375

A numerical simulation framework is presented in this paper for estimating evolution of pH and release of major species from grout within high-level waste tanks after closure. This model was developed as part of the Cementitious Barriers Partnership. The reactive transport model consists of two parts - (1) transport of species, and (2) chemical reactions. The closure grout can be assumed to have varying extents of cracking and composition for performance assessment purposes. The partially or completely degraded grouted tank is idealized as a dual regime system comprising of a mobile region having solid materials with cracks and macro-pores, and an immobile/stagnant region having solid matrix with micropores. The transport profiles of the species are calculated by incorporating advection of species through the mobile region, diffusion of species through the immobile/stagnant region, and exchange of species between the mobile and immobile regions. A geochemical speciation code in conjunction with the pH dependent test data for a grout material is used to obtain a mineral set that best describes the trends in the test data of the major species. The dual regime reactive transport model predictions are compared with the release data from an up-flow column percolation test. The coupled model is then used to assess effects of crack state of the structure, rate and composition of the infiltrating water on the pH evolution at the grout-waste interface. The coupled reactive transport model developed in this work can be used as part of the performance assessment process for evaluating potential risks from leaching of a cracked tank containing elements of human health and environmental concern. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Charged Wellbore Casing Controlled Source Electromagnetics (CWC-CSEM) for Reservoir Imaging and Monitoring (Final report)

This project addresses the needs of the U.S. Department of Energy (DOE) to develop advanced monitoring technologies and protocols to track the fate of subsurface carbon dioxide (CO2) plumes for carbon storage. Specifically, the project seeks to develop and test a unique and novel system of technologies consisting of electromagnetic data acquisition, coupled multiphysics imaging, and reservoir model enhancement to understand the migration and long-term distribution of CO2 in the subsurface. The overarching objective is to develop an integrated approach for long term monitoring of carbon storage. The two main components of the project include the methodology development and the test of the method at a field site. The methodology component consists of 1) developing the field procedure and protocol for collecting time-lapse controlled-source electromagnetic (CSEM) data with source electric current injected into the subsurface through wellbore casings; 2) building of background 3D electrical conductivity utilizing multiple sources of data such as supplemental surface transient EM (TEM) surveys, well-logs, and seismic structural information, for enhancing CSEM signal from reservoir depths; and 3) coupled multiphysics simulations and inversion of CSEM data constrained by production data and by structural information from seismic imaging of the reservoir and overlying formations. The testing component used the field site of Bell Creek Oil Field, which served both as a field laboratory for the method development as well as a test site to evaluate the CSEM signal strengths and the methodology developed in this research project. We have accomplished all the proposed tasks and developed the methodology as planned. These include the procedure for time-lapse CSEM data acquisition, data processing techniques, integration with 3D conductivity model building, fast reservoir simulation for history matching using machine learning, and interpreting CSEM data with coupling to the reservoir modeling. Collectively, the outcome of these tasks form a coherent workflow that can be applied to monitor dedicated carbon storage in saline reservoirs. The testing component evaluated the applicability and limitations of the method, and concluded that the method would be ideal for monitoring dedicated carbon storage sites utilizing saline reservoirs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Simulating eroded soil organic carbon with the SWAT-C model

The soil erosion and associated lateral movement of eroded carbon (C) have been identified as a possible mechanism explaining the elusive terrestrial C sink of ca. 1.7-2.6 PgC yr(-1). Here we evaluated the SWAT-C model for simulating long-term soil erosion and associated eroded C yields. Our method couples the CENTURY carbon cycling processes with a Modified Universal Soil Loss Equation (MUSLE) to estimate C losses associated with soil erosion. The results show that SWAT-C is able to simulate well long-term average eroded C yields, as well as correctly estimate the relative magnitude of eroded C yields by crop rotations. We also evaluated three methods of calculating C enrichment ratio in mobilized sediments, and found that errors associated with enrichment ratio estimation represent a significant uncertainty in SWAT-C simulations. Furthermore, we discussed limitations and future development directions for SWAT-C to advance C cycling modeling and assessment.

Agriculture↗
DOE OSTI2018

A Modeling Framework for Evaluating the Drought Resilience of a Surface Water Supply System under Non-stationarity

The future resilience of water supply systems is unprecedentedly challenged by non-stationary processes, such as fast population growth and a changing climate. A thorough understanding of how these non-stationarities impact water supply resilience is vital to support sustainable decision making, particularly for large cities in arid and/or semi-arid regions. In this study, a novel modeling framework, which integrates hydrological processes and water management, was established over a representative water limited metropolitan area to evaluate the impacts of water availability and water demand on reservoir storage and water supply reliability. In this framework, climate change induced drought events were selected from statistically downscaled Coupled Model Intercomparison Project Phase 5 outputs under the Representative Concentration Pathway 8.5 scenario, while future water demand was estimated by the product of projected future population and per capita water use. Compared with the first half of the 21st century (2000–2049), reservoir storage and water supply reliability during the second half century (2050–2099) are projected to reduce by 16.1% and 14.2%, respectively. While both future multi-year droughts and population growth will lower water supply resilience, the uncertainty associated with future climate projection is larger than that associated with urbanization. To reduce the drought risks, a combination of mitigation strategies (e.g., additional conservation, integrating new water sources, and water use redistribution) was found to be the most efficient approach and can significantly improve water supply reliability by as much as 15.9%.

Zhao, Gang (ORCID:0000000327370530)↗
DOE OSTI2024

Improving River Routing Using a Differentiable Muskingum‐Cunge Model and Physics‐Informed Machine Learning

Recently, rainfall-runoff simulations in small headwater basins have been improved by methodological advances such as deep neural networks (NNs) and hybrid physics-NN models—particularly, a genre called differentiable modeling that intermingles NNs with physics to learn relationships between variables. However, hydrologic routing simulations, necessary for simulating floods in stem rivers downstream of large heterogeneous basins, had not yet benefited from these advances and it was unclear if the routing process could be improved via coupled NNs. We present a novel differentiable routing method (δMC-Juniata-hydroDL2) that mimics the classical Muskingum-Cunge routing model over a river network but embeds an NN to infer parameterizations for Manning's roughness (n) and channel geometries from raw reach-scale attributes like catchment areas and sinuosity. The NN was trained solely on downstream hydrographs. Synthetic experiments show that while the channel geometry parameter was unidentifiable, n can be identified with moderate precision. With real-world data, the trained differentiable routing model produced more accurate long-term routing results for both the training gage and untrained inner gages for larger subbasins (>2,000 km2) than either a machine learning model assuming homogeneity, or simply using the sum of runoff from subbasins. The n parameterization trained on short periods gave high performance in other periods, despite significant errors in runoff inputs. The learned n pattern was consistent with literature expectations, demonstrating the framework's potential for knowledge discovery, but the absolute values can vary depending on training periods. The trained n parameterization can be coupled with traditional models to improve national-scale hydrologic flood simulations.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2012

Integrating Kinetic Effects into Global Models for Reconnection

Magnetic reconnection is the most striking example of how the coupling between global and kinetic scales can lead to fast energy release. Explosive solar activity, such as coronal mass ejections and flares for example, is widely believed to be due to the release of magnetic energy stored on global scales by magnetic reconnection operating on kinetic scales. Understanding how processes couple across spatial scales is one of the most difficult challenges in all of physics, and is undoubtedly the main obstacle to developing predictive models for the Sun's activity. Consequently, the NASA Living With a Star Program selected a Focused Science Team to attack the problem of cross-scale coupling in reconnection. In this talk I will present some of the results of the Team and review our latest theories and methods for modeling the global-local coupling in solar reconnection.

Antiochos, S. K.↗
NASA NTRS1996

Coupled thermal/chemical/mechanical modeling of energetic materials in ALE3D

We must improve our ability to model the response of energetic materials to thermal stimuli and the processes involved in the energetic response. We have developed and used a time step option to efficiently and accurately compute the hours that the energetic material can take to react. Since on these longer film scales, materials can be expected to have significant motion, it is even more important to provide high-order advection for all components, including the chemical species. We show an example cook-off problem to illustrate these capabilities.

WEAPONS↗
DOE OSTI2024

Three Decades of Wetland Methane Surface Flux Modeling by Earth System Models–Advances, Applications, and Challenges

Earth System Models (ESMs) simulate the exchange of mass and energy between the land surface and the atmosphere, with a key focus on modeling natural greenhouse gas feedbacks. Methane is the second most important greenhouse gas after carbon dioxide. There are growing concerns over the rapidly increasing methane concentration in the atmosphere, underscoring the need for accurate global modeling of its emissions using ESMs. Of the multitude of sources of methane globally, wetlands are the largest natural emitters for methane, leading to significant efforts targeting their representation in ESMs with a special focus on their methane emissions. In this review, we first provide a historical overview of including wetland–methane components in ESMs and how methane modeling approaches have evolved over time. Second, we discuss recent modeling advancements that show promise for improvements in methane emissions predictions, namely the coupling of surface and atmospheric modules of ESMs, the representation of microtopography and transport mechanisms, the resolution of microbial processes at different spatial–temporal scales, and the improved mapping of wetland area extent across the different wetland types. Third, we shed light on the different challenges hindering accurate estimations of wetland–methane emissions, as shown by the consistent discrepancy between bottom–up and top–down models' predictions. Finally, we emphasize that more detailed representation of biogeochemistry and dynamic hydrology while resolving the within–wetland vegetation heterogeneity should improve model predictions, especially when coupled with expanding ground–based measurement networks and high–resolution remote sensing mapping of methane–relevant variables, such as water elevation, water table depth, and methane concentration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations

Chlorophyll proteins (CPs) are the workhorses of biological photosynthesis, working together to absorb solar energy, transfer it to chemically active reaction centers, and control the charge-separation process that drives its storage as chemical energy. Yet predicting CP optical and electronic properties remains a serious challenge, driven by the computational difficulty of treating large, electronically coupled molecular pigments embedded in a dynamically structured protein environment. To address this challenge, we introduce here an analysis tool called PigmentHunter, which automates the process of preparing CP structures for molecular dynamics (MD), running short MD simulations on the nanoHUB.org science gateway, and then using electrostatic and steric analysis routines to predict optical absorption, fluorescence, and circular dichroism spectra within a Frenkel exciton model. Inter-pigment couplings are evaluated using point-dipole or transition-charge coupling models, while site energies can be estimated using both electrostatic and ring-deformation approaches. The package is built in a Jupyter Notebook environment, with a point-and-click interface that can be used either to manually prepare individual structures or to batch-process many structures at once. Here, we illustrate PigmentHunter’s capabilities with example simulations on spectral line shapes in the light harvesting 2 complex, site energies in the Fenna–Matthews–Olson protein, and ring deformation in photosystems I and II.

14 SOLAR ENERGY↗
DOE OSTI2014

Three-dimensional analytic probabilities of coupled vibrational-rotational-translational energy transfer for DSMC modeling of nonequilibrium flows

A three-dimensional, nonperturbative, semiclassical analytic model of vibrational energy transfer in collisions between a rotating diatomic molecule and an atom, and between two rotating diatomic molecules (Forced Harmonic Oscillator–Free Rotation model) has been extended to incorporate rotational relaxation and coupling between vibrational, translational, and rotational energy transfer. The model is based on analysis of semiclassical trajectories of rotating molecules interacting by a repulsive exponential atom-to-atom potential. The model predictions are compared with the results of three-dimensional close-coupled semiclassical trajectory calculations using the same potential energy surface. The comparison demonstrates good agreement between analytic and numerical probabilities of rotational and vibrational energy transfer processes, over a wide range of total collision energies, rotational energies, and impact parameter. The model predicts probabilities of single-quantum and multi-quantum vibrational-rotational transitions and is applicable up to very high collision energies and quantum numbers. Closed-form analytic expressions for these transition probabilities lend themselves to straightforward incorporation into DSMC nonequilibrium flow codes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗