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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Development of a new model for vibration-dissociation coupling in nitrogen

A new model for vibration-dissociation coupling is derived using knowledge obtained from a simulation of the vibrational relaxation of heated nitrogen by collisional processes. This bilevel model is based on the assumption that nitrogen can be represented by two molecular species. The vibrational energy relaxation is represented by a modified form of the Landau-Teller equation. The effects of the bilevel model on a typical hypervelocity flowfield computation are examined and compared to the Park TTv model. Specifically, it is found that the bilevel model exhibits a decreased dissociation rate. This is believed to be due to the inhibition of dissociation by nonequilibrium vibrational relaxation.

Landrum, D. B.↗
NASA NTRS2016

Implications of Projected Climate Change for Groundwater Recharge in the Western United States

Existing studies on the impacts of climate change on groundwater recharge are either global or basin/ location-specific. The global studies lack the specificity to inform decision making, while the local studies do little to clarify potential changes over large regions (major river basins, states, or groups of states), a scale often important in the development of water policy. An analysis of the potential impact of climate change on groundwater recharge across the western United States (west of 100 degrees longitude) is presented synthesizing existing studies and applying current knowledge of recharge processes and amounts. Eight representative aquifers located across the region were evaluated. For each aquifer published recharge budget components were converted into four standard recharge mechanisms: diffuse, focused, irrigation, and mountain-systems recharge. Future changes in individual recharge mechanisms and total recharge were then estimated for each aquifer. Model-based studies of projected climate-change effects on recharge were available and utilized for half of the aquifers. For the remainder, forecasted changes in temperature and precipitation were logically propagated through each recharge mechanism producing qualitative estimates of direction of changes in recharge only (not magnitude). Several key patterns emerge from the analysis. First, the available estimates indicate average declines of 10-20% in total recharge across the southern aquifers, but with a wide range of uncertainty that includes no change. Second, the northern set of aquifers will likely incur little change to slight increases in total recharge. Third, mountain system recharge is expected to decline across much of the region due to decreased snowpack, with that impact lessening with higher elevation and latitude. Factors contributing the greatest uncertainty in the estimates include: (1) limited studies quantitatively coupling climate projections to recharge estimation methods using detailed, process-based numerical models; (2) a generally poor understanding of hydrologic flowpaths and processes in mountain systems; (3) difficulty predicting the response of focused recharge to potential changes in the frequency and intensity of extreme precipitation events; and (4) unconstrained feedbacks between climate, irrigation practices, and recharge in highly developed aquifer systems.

longitude↗
NASA NTRS2011

Large Ka-Band Slot Array for Digital Beam-Forming Applications

This work describes the development of a large Ka Band Slot Array for the Glacier and Land Ice Surface Topography Interferometer (GLISTIN), a proposed spaceborne interferometric synthetic aperture radar for topographic mapping of ice sheets and glaciers. GLISTIN will collect ice topography measurement data over a wide swath with sub-seasonal repeat intervals using a Ka-band digitally beamformed antenna. For technology demonstration purpose a receive array of size 1x1 m, consisting of 160x160 radiating elements, was developed. The array is divided into 16 sticks, each stick consisting of 160x10 radiating elements, whose outputs are combined to produce 16 digital beams. A transmit array stick was also developed. The antenna arrays were designed using Elliott's design equations with the use of an infinite-array mutual-coupling model. A Floquet wave model was used to account for external coupling between radiating slots. Because of the use of uniform amplitude and phase distribution, the infinite array model yielded identical values for all radiating elements but for alternating offsets, and identical coupling elements but for alternating positive and negative tilts. Waveguide-fed slot arrays are finding many applications in radar, remote sensing, and communications applications because of their desirable properties such as low mass, low volume, and ease of design, manufacture, and deployability. Although waveguide-fed slot arrays have been designed, built, and tested in the past, this work represents several advances to the state of the art. The use of the infinite array model for the radiating slots yielded a simple design process for radiating and coupling slots. Method of moments solution to the integral equations for alternating offset radiating slots in an infinite array environment was developed and validated using the commercial finite element code HFSS. For the analysis purpose, a method of moments code was developed for an infinite array of subarrays. Overall the 1x1 m array was found to be successful in meeting the objectives of the GLISTIN demonstration antenna, especially with respect to the 0.042deg, 1/10th of the beamwidth of each stick, relative beam alignment between sticks.

Rengarajan, Sembiam↗
DOE OSTI2020

Improving the interface processes in the DOE/ACME model (Final Report)

This is the Final Report of our 4-year Energy Exascale Earth System Model (E3SM) project (3 years for the original project + 1-year no-cost extension). The overall objective of our project is to improve the interface processes in the E3SM. Two overarching questions have been addressed: 1) What are the major deficiencies of the (land-atmosphere, ocean-atmosphere, land-ocean, and snow-sea ice) interface processes in E3SM? 2) How can we improve the treatment of these deficiencies in E3SM? Four tasks have been carried out: to evaluate and improve the land–atmosphere coupling in E3SM; to evaluate and improve the ocean–atmosphere coupling in E3SM; to evaluate and improve the land–ocean coupling in E3SM; and to evaluate and improve the snow–sea ice coupling in E3SM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Use Cases and Model Development of Thermal Storage Coupling for Advanced Nuclear Reactors

This report discusses the different options for coupling thermal energy storage (TES) systems to advanced nuclear power plants (A-NPPs) in order to enable flexible and hybrid plant operation. An advanced light-water reactor (ALWR) and a high-temperature gas-cooled reactor (HTGR) were selected as the initial use cases for demonstrating a thermally balanced energy storage coupling design for thermal power extraction. Cost functions for the A-LWR were derived from the fully balanced models that were developed based on three different coupling options with three different thermal energy bypass ratios. For the next steps, cost functions for the HTGR will also be derived, and additional nuclear reactors (e.g., a liquid-cooled fast reactor [LFR] or molten-salt reactor [MSR]) will be evaluated for coupling with TES in similar fashion, including the evaluation of their steady-state condition models and cost functions. The models presented herein showcase several design considerations, focusing on optimal deployment methodologies for achieving steady-state operation with minimum disruption to the nuclear power generation cycle. This report presents the results of steady state models developed using Aspen HYSYS®, wherein the thermal energy bypass for an NPP-TES coupling was varied up to 50%. The various components were sized using Aspen Process Economic Analyzer (APEA) and Aspen Exchanger Design and Rating (EDR), when applicable. Cost functions from these models were developed using the latest publicly available data obtained from APEA V11. The current steady-state models and cost functions provide a baseline for additional work focusing on dynamic operation and process optimization by using Idaho National Laboratory (INL)’s Framework for Optimization of Resources and Economics (FORCE) tools to evaluate the technoeconomic viability and transient operations of TES-coupled A-NPPs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2003

Self-Consistent Large-Scale Magnetosphere-Ionosphere Coupling: Computational Aspects and Experiments

Both external and internal phenomena impact the terrestrial magnetosphere. For example, solar wind and particle precipitation effect the distribution of hot plasma in the magnetosphere. Numerous models exist to describe different aspects of magnetosphere characteristics. For example, Tsyganenko has developed a series of models (e.g., [TSYG89]) that describe the magnetic field, and Stern [STER75] and Volland [VOLL73] have developed an analytical model that describes the convection electric field. Over the past several years, NASA colleague Khazanov, working with Fok and others, has developed a large-scale coupled model that tracks particle flow to determine hot ion and electron phase space densities in the magnetosphere. This model utilizes external data such as solar wind densities and velocities and geomagnetic indices (e.g., Kp) to drive computational processes that evaluate magnetic, electric field, and plasma sheet models at any time point. These models are coupled such that energetic ion and electron fluxes are produced, with those fluxes capable of interacting with the electric field model. A diagrammatic representation of the coupled model is shown.

Newman, Timothy S.↗
NASA NTRS2011

Simulation of the Indian Summer Monsoon Using Comprehensive Atmosphere-land Interactions, in the Absence of Two-way Air-sea Interactions

Community Land Model version 2 (CLM2) as a comprehensive land surface model and a simple land surface model (SLM) were coupled to an atmospheric climate model to investigate the role of land surface processes in the development and the persistence of the South Asian summer monsoon. Two-way air-sea interactions were not considered in order to identify the reproducibility of the monsoon evolution by the comprehensive land model, which includes more realistic vertical soil moisture structures, vegetation and 2-way atmosphere-land interactions at hourly intervals. In the monsoon development phase (May and June). comprehensive land-surface treatment improves the representation of atmospheric circulations and the resulting convergence/divergence through the improvements in differential heating patterns and surface energy fluxes. Coupling with CLM2 also improves the timing and spatial distribution of rainfall maxima, reducing the seasonal rainfall overestimation by approx.60 % (1.8 mm/d for SLM, 0.7 mm/dI for CLM2). As for the interannual variation of the simulated rainfall, correlation coefficients of the Indian seasonal rainfall with observation increased from 0.21 (SLM) to 0.45 (CLM2). However, in the mature monsoon phase (July to September), coupling with the CLM2 does not exhibit a clear improvement. In contrast to the development phase, latent heat flux is underestimated and sensible heat flux and surface temperature over India are markedly overestimated. In addition, the moisture fluxes do not correlate well with lower-level atmospheric convergence, yielding correlation coefficients and root mean square errors worse than those produced by coupling with the SLM. A more realistic representation of the surface temperature and energy fluxes is needed to achieve an improved simulation for the mature monsoon period.

Monsoon Precipitation↗
DOE OSTI2026

Topological freeze-out by semi-annihilation

We point out that a QCD-like dark sector can be coupled to the Standard Model by gauging the topological Skyrme current, which measures the dark baryon number in the infrared, to give a technically natural model for dark matter. This coupling allows for a semi-annihilation process χχ → χX μ , where X μ is the gauge boson mediator and χ a dark pion field, which plays the dominant role in setting the dark matter relic abundance. The topological interaction is purely p-wave and so free from indirect detection constraints. We show that the dark matter pion mass needs to be in the range 10 MeV ≲ m χ ≲ 1 TeV; towards the lighter end of this range, there can moreover be significant self-interactions. We discuss prospects for probing this scenario at collider experiments, ranging from the LHC to low-energy e + e − colliders, future Higgs factories, and beam-dump experiments.

Models for Dark Matter↗
DOE OSTI2020

Process design tools and techno-economic analysis for capacitive deionization

Capacitive deionization (CDI) devices use cyclical electrosorption on porous electrode surfaces to achieve water desalination. Process modeling and design of CDI systems requires accurate treatment of the coupling among input electrical forcing, input flow rates, and system responses including salt removal dynamics, water recovery, energy storage, and dissipation. Techno-economic analyses of CDI further require a method to calculate and compare between a produced commodity (e.g. desalted water) versus capital and operational costs of the system. In this work, we demonstrate a new modeling and analysis tool for CDI developed as an installable Matlab program that allows direct numerical simulation of CDI dynamics and calculation of key performance and cost parameters. The program is provided for free and is used to run open-source Simulink models. The Simulink environment sends information to the program and allows for a drag and drop design space where users can connect CDI cells to relevant periphery blocks such as grid energy, battery, solar panel, waste disposal, and maintenance/labor cost streams. The program allows for simulation of arbitrary current forcing and arbitrary flow rate forcing of one or more CDI cells. We employ validated well-mixed reactor formulations together with a non-linear circuit model formulation that can accommodate a variety of electric double layer sub-models (e.g. for charge efficiency). The program includes a graphical user interface (GUI) to specify CDI plant parameters, specify operating conditions, run individual tests or parameter batch-mode simulations, and plot relevant results. The techno-economic models convert among dimensional streams of species (e.g. feed, desalted water, and brine), energy, and cost and enable a variety of economic estimates including levelized water costs.

42 ENGINEERING↗
NASA NTRS2007

Using Multi-scale Modeling Systems to Study the Precipitation Processes

Numerical cloud models, which are based the non-hydrostatic equations of motion, have been extensively applied to cloud-scale and mesoscale processes during the past four decades. Because cloud-scale dynamics are treated explicitly, uncertainties stemming from convection that have to be parameterized in (hydrostatic) large-scale models are obviated, or at least mitigated, in cloud models. Global models will use the non-hydrostatic framework when their horizontal resolution becomes about 10 km, the theoretical limit for the hydrostatic approximation. This juncture will be reached one to two decades from now. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (CRM), (2) a regional scale model, (3) a coupled CRM and global model, and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer processes and the explicit cloud-radiation, and cloudland surface interactive processes are applied in this multi-scale modeling system. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the interactions between clouds, precipitation, and aerosols will be presented.

Tao, Wei-Kuo↗
NASA NTRS1996

Stratospheric Heterogeneous Chemistry and Microphysics: Model Development, Validation and Applications

The objectives of this project are to: define the chemical and physical processes leading to stratospheric ozone change that involve polar stratospheric clouds (PSCS) and the reactions occurring on the surfaces of PSC particles; study the formation processes, and the physical and chemical properties of PSCS, that are relevant to atmospheric chemistry and to the interpretation of field measurements taken during polar stratosphere missions; develop quantitative models describing PSC microphysics and heterogeneous chemical processes; assimilate laboratory and field data into these models; and calculate the extent of chemical processing on PSCs and the impact of specific microphysical processes on polar composition and ozone depletion. During the course of the project, a new coupled microphysics/physical-chemistry/ photochemistry model for stratospheric sulfate aerosols and nitric acid and ice PSCs was developed and applied to analyze data collected during NASA's Arctic Airborne Stratospheric Expedition-II (AASE-II) and other missions. In this model, detailed treatments of multicomponent sulfate aerosol physical chemistry, sulfate aerosol microphysics, polar stratospheric cloud microphysics, PSC ice surface chemistry, as well as homogeneous gas-phase chemistry were included for the first time. In recent studies focusing on AASE measurements, the PSC model was used to analyze specific measurements from an aircraft deployment of an aerosol impactor, FSSP, and NO(y) detector. The calculated results are in excellent agreement with observations for particle volumes as well as NO(y) concentrations, thus confirming the importance of supercooled sulfate/nitrate droplets in PSC formation. The same model has been applied to perform a statistical study of PSC properties in the Northern Hemisphere using several hundred high-latitude air parcel trajectories obtained from Goddard. The rates of ozone depletion along trajectories with different meteorological histories are presently being systematically evaluated to identify the principal relationships between ozone loss and aerosol state. Under this project, we formulated a detailed quantitative model that predicts the multicomponent composition of sulfate aerosols under stratospheric conditions, including sulfuric, nitric, hydrochloric, hydrofluoric and hydrobromic acids. This work defined for the first time the behavior of liquid ternary-system type-1b PSCS. The model also allows the compositions and reactivities of sulfate aerosols to be calculated over the entire range of environmental conditions encountered in the stratosphere (and has been incorporated into a trajectory/microphysics model-see above). Important conclusions that derived from this work over the last few years include the following: the HNO3 content of liquid-state aerosols dominate PSCs below about 195 K; the freezing of nitric acid ice from sulfate aerosol solutions is likely to occur within a few degrees K of the water vapor frost point; the uptake and reactions of HCl in liquid aerosols is a critical component of PSC heterogeneous chemistry. In a related application of this work, the inefficiency of chlorine injection into the stratosphere during major volcanic eruptions was explained on the basis of nucleation of sulfuric acid aerosols in rising volcanic plumes leading to the formation of supercooled water droplets on these aerosols, which efficiently scavenges HCl via precipitation.

Turco, Richard P.↗
NASA NTRS2004

CO2 Condensation Models for Mars

During the polar night in both hemispheres of Mars, regions of low thermal emission, frequently referred to as "cold spots", have been observed by Mariner 9, Viking and Mars Global Surveyor (MGS) spacecraft. These cold spots vary in time and appear to be associated with topographic features suggesting that they are the result of a spectral-emission effect due to surface accumulation of fine-grained frost or snow. Presented here are simulations of the Martian polar night using the NASA Ames General Circulation Cloud Model. This cloud model incorporates all the microphysical processes of carbon dioxide cloud formation, including nucleation, condensation and sedimentation and is coupled to a surface frost scheme that includes both direct surface condensation and precipitation. Using this cloud model we simulate the Mars polar nights and compare model results to observations from the Thermal Emission Spectrometer (TES) and the Mars Orbiter Laser Altimeter (MOLA). Model predictions of "cold spots" compare well with TES observations of low emissivity regions, both spatially and as a function of season. The model predicted frequency of CO2 cloud formation also agrees well with MOLA observations of polar night cloud echoes. Together the simulations and observations in the North indicate a distinct shift in atmospheric state centered about Ls 270 which we believe may be associated with the strength of the polar vortex.

Colaprete, A.↗
DOE OSTI2022

Coupling between DNA replication, segregation, and the onset of constriction in Escherichia coli

Escherichia coli cell cycle features two critical cell-cycle checkpoints: initiation of replication and the onset of constriction. While the initiation of DNA replication has been extensively studied, it is less clear what triggers the onset of constriction and when exactly it occurs during the cell cycle. Here, using high-throughput fluorescence microscopy in microfluidic devices, we determine the timing for the onset of constriction relative to the replication cycle in different growth rates. Our single-cell data and modeling indicate that the initiation of constriction is coupled to replication-related processes in slow growth conditions. Furthermore, our data suggest that this coupling involves the mid-cell chromosome blocking the onset of constriction via some form of nucleoid occlusion occurring independently of SlmA and the Ter linkage proteins. This work highlights the coupling between replication and division cycles and brings up a new nucleoid mediated control mechanism in E. coli.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Development of Approaches to Model Excited State Charge and Energy Transfer in Solution

The development of next generation energy conversion and catalytic systems requires fundamental understanding of the interplay between photo-excitation and the resulting proton and electron transfer processes that occur in solution. To address these challenges requires accurate and efficient methods to compute ground and excited states, as well as the ability to treat the dynamics of energy transfer in the presence of solvent fluctuations. Our team is developing accurate and efficient theoretical models for solution phase reactions. These developments provide an improved understanding of photo-initiated excitations, electron transfer, and proton coupled electron transfer processes. Our research team brings together expertise in electron and nuclear dynamics (classical and quantum), electronic structure, and analysis of solvation networks. We are developing and validating techniques for modeling condensed phase charge and energy transfer and to simulate the methods to monitor them using optical and vibrational spectroscopy.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1997

Year-Round Pack Ice in the Weddell Sea, Antarctica: Response and Sensitivity to Atmospheric and Oceanic Forcing

Using a dynamic-thermodynamic numerical sea-ice model, external oceanic and atmospheric forcings on sea ice in the Weddell Sea are examined to identify physical processes associated with the seasonal cycle of pack ice, and to identify further the parameters that coupled models need to consider in predicting the response of the pack ice to climate and ocean-circulation changes. In agreement with earlier studies, the primary influence on the winter ice-edge maximum extent is air temperature. Ocean heat flux has more impact on the minimum-ice-edge extent and in reducing pack-ice thickness, especially in the eastern-Weddell Sea. Low relative humidity enhances ice growth in thin ice and open-water regions, producing a more realistic ice edge along the coastal areas of the western-Weddell Sea where dry continental air has an impact. The modeled extent of the Weddell summer pack is equally sensitive to ocean heat flux and atmospheric relative humidity variations with the more dynamic responses being from the atmosphere. Since the atmospheric regime in the eastern Weddell is dominated by marine intrusions from lower latitudes, with high humidity already, it is unlikely that either the moisture trans- port could be further raised or that it could be significantly lowered because of its distance from the continent (the lower humidity source). Ocean heat-transport variability is shown to lead to overall ice thinning in the model response and is a known feature of the actual system, as evidenced by the occurrence of the Weddell Polynya in the mid 1970s.

Geiger, Cathleen A.↗
DOE OSTI2020

Reactive chemical transport simulations of geologic carbon sequestration: Methods and applications

Chemical reaction simulations are considerably used to quantitatively assess the long-term geologic carbon sequestration (GCS), such as CO 2 sequestration capacity estimations, leakage pathway analyses, enhanced oil recovery (EOR) efficiency studies, and risk assessments of sealing formations (caprocks), wellbores, and overlying underground water resources. All these require a deep understanding of the CO 2 - associated chemical reactions. To ensure long-term, safe CO 2 sequestration in the intended formations, modeling is the only way to plausibly assess the CO 2 flow, reaction, and transport over thousands of years. This review summarizes the multiple methodologies for describing homogeneous and heterogeneous chemical reaction patterns and multiscale application examples, the recent progress and current status of chemical reaction simulations for GCS, and the impact of such simulations on geological CO2 sequestration performance. Technical gaps and future challenges are also discussed for further study. The trends and challenges of such studies include: (1) the combination of coupled chemical, mechanical, and transport processes with calibrated experiments and associated uncertainty/risk assessments; (2) enhancement of the ability to simulate detailed geophysical and geochemical equations to mimic in situ conditions; and (3) characterization of multiscale subsurface systems with detailed conceptual models and assignment of suitable boundary conditions for field-scale sequestration fields. One major gap remaining is the current lack of accurate (and scale-justified) kinetic and equilibrium chemical reaction parameters under reservoir conditions. Advanced models that couple chemical, mechanical, and transport processes with scale-justified parameters, from lab to field-scale experiments, are required for quantitative assessments of sequestration capacity and the long-term safety of GCS projects.

58 GEOSCIENCES↗
DOE OSTI2020

Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions

In this paper, we describe the development of a reactive force field for C/O systems under extreme temperatures and pressures, based on the many-body Chebyshev Interaction Model for Efficient Simulation (ChIMES). The resulting model, which targets carbon condensation under thermodynamic conditions of 6500 K and 2.5 g cm –3 , affords a balance between model accuracy, complexity, and training set generation expense. We show that the model recovers much of the accuracy of density functional theory for the prediction of structure, dynamics, and chemistry when applied to dissociative condensed phase systems at 1:1 and 1:2 C:O ratios, as well as molten carbon. Our C/O modeling approach exhibits a 104 increase in efficiency for the same system size (i.e., 128 atoms) and a linear system size scalability over standard quantum molecular dynamics methods, allowing the simulation of significantly larger systems than previously possible. We find that the model captures the condensed-phase reaction-coupled formation of carbon clusters implied by recent experiments, and that this process is susceptible to strong finite size effects. Overall, we find the present ChIMES model to be well suited for studying chemical processes and cluster formation at pressures and temperatures typical of shock waves. We expect that the present C/O modeling paradigm can serve as a template for the development of a broader high pressure–high temperature force-field for condensed phase chemistry in organic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗