Search NASA⌕ Search

SEARCH · Search NASA

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.

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

At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
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 OSTI2019

Hourly and daily rainfall intensification causes opposing effects on C and N emissions, storage, and leaching in dry and wet grasslands

Climate change is expected to alter hourly and daily rainfall regimes and, in turn, the dynamics of ecosystem processes controlling greenhouse gas emissions that affect climate. Here, we investigate the effects of expected twenty-first century changes in hourly and daily rainfall on soil carbon and nitrogen emissions, soil organic matter (SOM) stocks, and leaching using a coupled mechanistic carbon and nitrogen soil biogeochemical model (BAMS2). The model represents various abiotic and biotic processes involving 11 SOM pools. These processes include fungal depolymerization, heterotrophic bacterial mineralization, nitrification, denitrification, microbial mortality, necromass decomposition, microbial response to water stress, protection, aqueous advection and diffusion, aqueous complexation, and gaseous dissolution. Multi-decadal modeling with varying rainfall patterns was conducted on nine Australian grasslands in tropical, temperate, and semi-arid regions. Our results show that annual CO 2 emissions in the semi-arid grasslands increase by more than 20% with a 20% increase in annual rainfall (with no changes in the rainfall timing), but the tropical grasslands have opposite trends. A 20% increase in annual rainfall also increases annual N 2 O and NO emissions in the semi-arid grasslands by more than 10% but decreases emissions by at least 25% in the temperate grasslands. When subjected to low frequency and high magnitude daily rainfall events with unchanged annual totals, the semi-arid grasslands are the most sensitive, but changes in annual CO 2 emissions and SOM stocks are less than 5 %. Finally, intensification of hourly rainfall did not significantly alter CO 2 emissions and SOM stocks but changed annual NH 3 emissions in the tropical grasslands by more than 300%.

54 ENVIRONMENTAL 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↗
NASA NTRS2023

Importance of Atmospheric Feedbacks in Simulating the Seasonal Cycle of the Antarctic Sea Ice and Its Response to Perturbations

The seasonal cycle of the Antarctic sea ice extent is largely controlled by the evolution of the insolation received at the top of the atmosphere. However, sea ice processes and feedbacks with the ocean and the atmosphere can modulate this seasonal cycle. Here, the atmospheric feedbacks are quantified in a series of idealized sensitivity experiments performed with an eddy-permitting (1/4°) NEMO-LIM3 Southern Ocean configuration, including a representation of ice shelf cavities, in which the model was either driven by an atmospheric reanalysis or coupled to the COSMO-CLM 2 regional atmospheric model. In these experiments, sea ice thermodynamics and dynamics as well as the exchanges with the ocean and atmosphere are strongly perturbed. This perturbation is achieved by modifying snow and ice thermal conductivities, the vertical mixing in the ocean top layers, the effect of freshwater uptake/release upon sea ice growth/melt, ice dynamics and surface albedo. We show that the changes in surface heat fluxes are very different between the configurations driven by the reanalysis and those coupled to the atmosphere. Atmospheric feedbacks enhance the response of the modelled winter ice extent to any of the perturbed processes, and the enhancement is strongest when the albedo is modified. The response of sea ice volume and extent to changes in entrainment of subsurface warm waters to the ocean surface is also greatly amplified by the coupling with the atmosphere. By contrast, the atmospheric feedbacks can damp the impact of the perturbations affecting the heat conductivity through sea ice.

Atmospheric feedbacks↗
DOE OSTI2021

Quantifying and attributing time step sensitivities in present-day climate simulations conducted with EAMv1

Abstract. This study assesses the relative importance of time integration error in present-day climate simulations conducted with the atmosphere component of the Energy Exascale Earth System Model version 1 (EAMv1) at 1∘ horizontal resolution. We show that a factor-of-6 reduction of time step size in all major parts of the model leads to significant changes in the long-term mean climate. Examples of changes in 10-year mean zonal averages include the following: up to 0.5 K of warming in the lower troposphere and cooling in the tropical and subtropical upper troposphere, 1 %–10 % decreases in relative humidity throughout the troposphere, and 10 %–20 % decreases in cloud fraction in the upper troposphere and decreases exceeding 20 % in the subtropical lower troposphere. In terms of the 10-year mean geographical distribution, systematic decreases of 20 %–50 % are seen in total cloud cover and cloud radiative effects in the subtropics. These changes imply that the reduction of temporal truncation errors leads to a notable although unsurprising degradation of agreement between the simulated and observed present-day climate; to regain optimal climate fidelity in the absence of those truncation errors, the model would require retuning. A coarse-grained attribution of the time step sensitivities is carried out by shortening time steps used in various components of EAM or by revising the numerical coupling between some processes. Our analysis leads to the finding that the marked decreases in the subtropical low-cloud fraction and total cloud radiative effect are caused not by the step size used for the collectively subcycled turbulence, shallow convection, and stratiform cloud macrophysics and microphysics parameterizations but rather by the step sizes used outside those subcycles. Further analysis suggests that the coupling frequency between the subcycles and the rest of EAM significantly affects the subtropical marine stratocumulus decks, while deep convection has significant impacts on trade cumulus. The step size of the cloud macrophysics and microphysics subcycle itself appears to have a primary impact on cloud fraction in the upper troposphere and also in the midlatitude near-surface layers. Impacts of step sizes used by the dynamical core and the radiation parameterization appear to be relatively small. These results provide useful clues for future studies aiming at understanding and addressing the root causes of sensitivities to time step sizes and process coupling frequencies in EAM. While this study focuses on EAMv1 and the conclusions are likely model-specific, the presented experimentation strategy has general value for weather and climate model development, as the methodology can help researchers identify and understand sources of time integration error in sophisticated multi-component models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

GoldSim E-Area Low-Level Waste Lacility Vadose Zone Model Benchmarking

This report documents the development and benchmarking of the E-Area Low-Level Waste Facility (ELLWF) GoldSim Engineered and Slit Trench (ET and ST) vadose zone models. Subsequent activities (beyond the scope of this effort) will couple the GoldSim-based vadose zone models to the GoldSim aquifer model, with the intent of performing stochastic analyses that couple all pertinent fate and transport processes from the ground surface up to the 100-m Point of Assessment (POA). The benchmarking presented within this report focuses on the Slit Trench 06 (ST06) bydrostratigraphic location that resides within the center set of slit trenches. These GoldSim-based vadose zone models are generic models capable of being benchmarked to any of the other trench locations within E-Area.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1994

Qualitative study of the behavior of minor species during a stratospheric warming with a 3-D model

It is well-known that the behavior of the ozone layer depends upon the coupling between several processes in the atmosphere. Natural or anthropogenic pollutants emitted from the surface or injected directly at high altitude may affect this layer. Assessment studies for long-term changes of the ozone layer are conducted with the aid of various two-dimensional models. These models describe the long-term and seasonal evolution of minor constituents and take into account the interaction between all processes. However, many limitations affect the self-consistency of these models e.g., the circulation in these models is only meridional and vertical and is not able to represent all types of motion in the atmosphere. During a perturbed winter in the north polar regions, the vortex is displaced from the pole to lower latitude so that wind may be reversed at a given location. Perturbed air masses are transported outside the darkened regions and may mix with local air masses. Three-dimensional models are the only tools which can describe correctly these sporadic phenomena.

Ramaroson, R.↗
DOE OSTI2023

Search for a τ + τ - Resonance in e + e - → μ + μ - τ + τ - Events with the Belle II Experiment

We report the first search for a nonstandard-model resonance decaying into $τ$ pairs in $e^+e^-$ → $μ^+μ^-τ^+τ^-$ events in the 3.6–10 GeV/c 2 mass range. We use a 62.8 fb -1 sample of $e^+e^-$ collisions collected at a center-of-mass energy of 10.58 GeV by the Belle II experiment at the SuperKEKB collider. The analysis probes three different models predicting a spin-1 particle coupling only to the heavier lepton families, a Higgs-like spin-0 particle that couples preferentially to charged leptons (leptophilic scalar), and an axionlike particle, respectively. We observe no evidence for a signal and set exclusion limits at 90% confidence level on the product of cross section and branching fraction into $τ$ pairs, ranging from 0.7 to 24 fb, and on the couplings of these processes. We obtain world-leading constraints on the couplings for the leptophilic scalar model for masses above 6.5 GeV/c 2 and for the axionlike particle model over the entire mass range.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2021

Understanding the Impacts of Land Surface and PBL Observations on the Terrestrial and Atmospheric Legs of Land-Atmosphere Coupling

Accurately representing land-atmosphere (L-A) interactions and coupling in NWP systems remains a challenge. New observations, incorporated into models via assimilation or calibration, hold the promise of improved forecast skill, but erroneous model coupling can hinder the benefits of such activities. To better understand model representation of coupled interactions and feedbacks, this study demonstrates a novel framework for coupled calibration of the Single Column Model (SCM) capability of the NASA Unified Weather Research and Forecasting (NU-WRF) system coupled to NASA’s Land Information System (LIS). The local land-atmosphere coupling (LoCo) process chain paradigm is used to assess the processes and connections revealed by calibration experiments. Two summer case studies in the U. S. Southern Great Plains are simulated in which LSM parameters are calibrated to diurnal observations of LoCo process chain components including 2-meter temperature, 2-meter humidity, surface fluxes (Bowen ratio), and PBL height. Results show a wide range of soil moisture and hydraulic parameter solutions depending on which L-A variable (i.e. observation) is used for calibration, highlighting that improvement in either SHP or ISM when not in tandem with the other can provide undesirable results. Overall, this work demonstrates that a process chain calibration approach can be used to assess L-A connections, feedbacks, strengths, and deficiencies in coupled models, as well as quantify the potential impact of new sources of observations of land-PBL variables on coupled prediction.

Patricia Lawston-Parker↗