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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Particle Size Distribution Dynamics Can Help Constrain the Phase State of Secondary Organic Aerosol

Particle phase state is a property of atmospheric aerosols that has important implications for the formation, evolution, and gas/particle partitioning of secondary organic aerosol (SOA). In this work, we use a size-resolved chemistry and microphysics model (SOM-TOMAS), updated to include an explicit treatment of particle phase state, to constrain the bulk diffusion coefficient (Db) of SOA produced from ??- pinene ozonolysis. By leveraging data from laboratory experiments performed in the absence of a seed and under dry conditions, we find that the Db for SOA can be constrained (1-7 ×10-15 cm2 s-1 in these experiments) by simultaneously reproducing the time-varying SOA mass concentrations and the evolution of the particle size distribution. Another version of our model that used the predicted SOA composition to calculate the glass transition temperature, viscosity, and, ultimately, Db (~10-15 cm2 s-1) of the SOA was able to reproduce the mass and size distribution measurements when we included oligomer formation (oligomers accounted for about a fifth of the SOA mass). Our work highlights the potential of a size resolved SOA model to constrain the particle phase state of SOA by utilizing historical measurements of the evolution of the particle size distribution.

He, Yicong↗
DOE OSTI2024

The GFDL Variable-Resolution Global Chemistry-Climate Model for Research at the Nexus of US Climate and Air Quality Extremes

We present a variable-resolution global chemistry-climate model (AM4VR) developed at NOAA's Geophysical Fluid Dynamics Laboratory (GFDL) for research at the nexus of US climate and air quality extremes. AM4VR has a horizontal resolution of 13 km over the US, allowing it to resolve urban-to-rural chemical regimes, mesoscale convective systems, and land-surface heterogeneity. With the resolution gradually reducing to 100 km over the Indian Ocean, we achieve multi-decadal simulations driven by observed sea surface temperatures at 50% of the computational cost for a 25-km uniform-resolution grid. In contrast with GFDL's AM4.1 contributing to the sixth Coupled Model Intercomparison Project at 100 km resolution, AM4VR features much improved US climate mean patterns and variability. In particular, AM4VR shows improved representation of: precipitation seasonal-to-diurnal cycles and extremes, notably reducing the central US dry-and-warm bias; western US snowpack and summer drought, with implications for wildfires; and the North American monsoon, affecting dust storms. AM4VR exhibits excellent representation of winter precipitation, summer drought, and air pollution meteorology in California with complex terrain, enabling skillful prediction of both extreme summer ozone pollution and winter haze events in the Central Valley. AM4VR also provides vast improvements in the process-level representations of biogenic volatile organic compound emissions, interactive dust emissions from land, and removal of air pollutants by terrestrial ecosystems. We highlight the value of increased model resolution in representing climate–air quality interactions through land-biosphere feedbacks. AM4VR offers a novel opportunity to study global dimensions to US air quality, especially the role of Earth system feedbacks in a changing climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A ‘Nuclear Bomb’ or Just ‘a Joke’? Groundwater Models May Help Communicate Nuanced Risks to the Great Salt Lake

The Great Salt Lake entered the zeitgeist of environmental concern in 2022 when a coalition of scientists and activists warned in a highly publicized report that the lake might be just five years away from complete desiccation, a possibility one state official warned was tantamount to an “environmental nuclear bomb”. Shortly thereafter, an unpredicted and unprecedented pluvial winter resulted in an increase in inflow, temporarily halting the lake’s decline and prompting Utah’s governor to mock the dire prediction as “a joke”, an outcome that speaks to the tension between agenda-setting and trust-building that researchers face when sharing worst-case warnings, particularly those based on short-term variability. Here, we describe a robust relationship between the lake and groundwater in the surrounding region and demonstrate how coupled models can thus be used to improve lake elevation predictions, suggesting that while the situation may not be as dire as some have warned, the lake remains at long-term risk as a result of climate warming. We further suggest that efforts to communicate the risk of future desiccation should be informed by stochastic variability and guided by long-term fluctuations in the total water storage of the endorheic lake’s watershed.

Environmental Sciences & Ecology↗
DOE OSTI2026

A careful examination of closure models in Euler–Lagrange Simulations of compressible multiphase flow in a planar shock particle curtain problem

In this work we present a comprehensive investigation of state-of-the-art closure models employed to represent interphase momentum, thermal, and work exchange between the gas and particulate phases for Euler–Lagrange (EL) simulations in shock-driven flows. A complete list of closures for the force, torque, heat transfer, and work exchange models is provided. In particular, the present work includes a stochastic closure for the particle-to-particle variation in the quasi-steady force and a deterministic closure for particle-to-particle variation in the added mass force in an EL framework. These variations arise due to the presence of neighboring particles and particle–particle interactions. To investigate the importance of each closure term, we carry out fully three-dimensional simulations for a planar shock propagating over a random bed of inert particles. The primary goal is to evaluate the role of each closure term on the gas dynamic features (such as transmitted and reflected shock locations) and particle curtain features (such as upstream and downstream curtain locations). To this end, thirteen cases are considered, with each case progressively including a closure model with the goal to identify and quantify its contribution to the simulated dynamics. We show that the volume fraction dependence of the mean force models plays an important role in generating wave-like instabilities that lead to concentration bands. In addition, fluctuations in quasi-steady and added mass forces primarily decrease the internal instabilities that tend to enhance local volume fraction variations. Particle rotation is primarily due to inter-particle collisions, is generally weak, and does not play an important role in the translational dynamics for the present configuration. Inter-phase heat transfer has a strong effect on gas phase temperature, slows down the transmitted and reflected shocks, and decreases the width of the curtain. Furthermore, the absence of a work-coupling model fails to conserve the total energy, greatly under-predicts the gas temperature which in turn affects the particle dynamics.

Compressible flow↗
DOE OSTI2016

Multi-decadal trends in global terrestrial evapotranspiration and its components

In this study, evapotranspiration (ET) is the process by which liquid water becomes water vapor and energetically this accounts for much of incoming solar radiation. If this ET did not occur temperatures would be higher, so understanding ET trends is crucial to predict future temperatures. Recent studies have reported prolonged declines in ET in recent decades, although these declines may relate to climate variability. Here, we used a well-validated diagnostic model to estimate daily ET during 1981–2012, and its three components: transpiration from vegetation (E t ), direct evaporation from the soil (E s ) and vaporization of intercepted rainfall from vegetation (E i ). During this period, ET over land has increased significantly (p < 0.01), caused by increases in E t and E i , which are partially counteracted by E s decreasing. These contrasting trends are primarily driven by increases in vegetation leaf area index, dominated by greening. The overall increase in E t over land is about twofold of the decrease in E s . These opposing trends are not simulated by most Coupled Model Intercomparison Project phase 5 (CMIP5) models, and highlight the importance of realistically representing vegetation changes in earth system models for predicting future changes in the energy and water cycle.

15 GEOTHERMAL ENERGY↗
DOE OSTI2014

Final Technical Report -- Bridging the PSI Knowledge Gap: A Multiscale Approach

The Plasma Surface Interactions (PSI) Science Center formed by the grant undertook a multidisciplinary set of studies on the complex interface between the plasma and solid states of matter. The strategy of the center was to combine and integrate the experimental, diagnostic and modeling toolkits from multiple institutions towards specific PSI problems. In this way the Center could tackle integrated science issues which were not addressable by single institutions, as well as evolve the underlying science of the PSI in a more general way than just for fusion applications. The overall strategy proved very successful. The research result and highlights of the MIT portion of the Center are primarily described. A particular highlight is the study of tungsten nano-tendril growth in the presence of helium plasmas. The Center research provided valuable new insights to the mechanisms controlling the nano-tendrils by developing coupled modeling and in situ diagnostic methods which could be directly compared. For example, the role of helium accumulation in tungsten distortion in the surface was followed with unique in situ helium concentration diagnostics developed. These depth-profiled, time-resolved helium concentration measurements continue to challenge the numerical models of nano-tendrils. The Center team also combined its expertise on tungsten nano-tendrils to demonstrate for the first time the growth of the tendrils in a fusion environment on the Alcator C-Mod fusion experiment, thus having significant impact on the broader fusion research effort. A new form of isolated nano-tendril “columns” were identified which are now being used to understand the underlying mechanisms controlling the tendril growth. The Center also advanced PSI science on a broader front with a particular emphasis on developing a wide range of in situ PSI diagnostic tools at the DIONISOS facility at MIT. For example the strong suppression of sputtering by the certain combination of light-species plasmas and metals was experimentally studied with independent measurement methods across the Center. This surprising result challenges the universal use of the binary-collision approximation in sputtering predictions and continues to be the subject of study. In order to address this issue MIT developed a new in situ erosion measurement technique based on ion beam analysis which can be used at elevated material temperatures. This exciting new technique is now being used to study material erosion in high performance plasma thrusters for space exploration and is being adopted to fusion experimental devices. This is an indicator of the positive synergies that arise from such a Center, with the research having impact beyond the initial area of study. The Center also served successfully as an organizing force for communication to the science community. The MIT members of the Center provided many high-profile overview presentations at prestigious international conferences and national workshops. The research resulted in three student theses and 24 peer-reviewed publications. PSI research continues to be identified as a critical area for fusion energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2011

Two-Dimensional Analysis of Conical Pulsed Inductive Plasma Thruster Performance

A model of the maximum achievable exhaust velocity of a conical theta pinch pulsed inductive thruster is presented. A semi-empirical formula relating coil inductance to both axial and radial current sheet location is developed and incorporated into a circuit model coupled to a momentum equation to evaluate the effect of coil geometry on the axial directed kinetic energy of the exhaust. Inductance measurements as a function of the axial and radial displacement of simulated current sheets from four coils of different geometries are t to a two-dimensional expression to allow the calculation of the Lorentz force at any relevant averaged current sheet location. This relation for two-dimensional inductance, along with an estimate of the maximum possible change in gas-dynamic pressure as the current sheet accelerates into downstream propellant, enables the expansion of a one-dimensional circuit model to two dimensions. The results of this two-dimensional model indicate that radial current sheet motion acts to rapidly decouple the current sheet from the driving coil, leading to losses in axial kinetic energy 10-50 times larger than estimations of the maximum available energy in the compressed propellant. The decreased available energy in the compressed propellant as compared to that of other inductive plasma propulsion concepts suggests that a recovery in the directed axial kinetic energy of the exhaust is unlikely, and that radial compression of the current sheet leads to a loss in exhaust velocity for the operating conditions considered here.

Hallock, A. K.↗
NASA NTRS2020

Assessment of Natural and Anthropogenic Aerosol Air Pollution In the Middle East Using MERRA-2, CAMS Data Assimilation Products, and High-Resolution WRF-Chem Model Simulations

Modern-Era Retrospective analysis for Research and Applications v.2 (MERRA-2), Copernicus Atmosphere Monitoring Service Operational Analysis (CAMS-OA), and a high-resolution regional Weather Research and Forecasting model coupled with chemistry (WRF-Chem) were used to evaluate natural and anthropogenic particulate matter (PM) air pollution in the Middle East (ME) during 2015–2016. Two Moderate Resolution Imaging Spectrometer (MODIS) retrievals – combined product Deep Blue and Deep Target (MODIS-DB&DT) and Multi-Angle Implementation of Atmospheric Correction (MAIAC) – and Aerosol Robotic Network (AERONET) aerosol optical depth (AOD) observations as well as in situ PM measurements for 2016 were used for validation of the WRF-Chem output and both assimilation products. MERRA-2 and CAMS-OA assimilate AOD observations. WRF-Chem is a free-running model, but dust emission in WRF-Chem is tuned to fit AOD and aerosol volume size distributions obtained from AERONET. MERRA-2 was used to construct WRF-Chem initial and boundary conditions both for meteorology and chemical and aerosol species. SO2 emissions in WRF-Chem are based on the novel OMI-HTAP SO2 emission dataset. The correlation with the AERONET AOD is highest for MERRA-2 (0.72–0.91), MAIAC (0.63–0.96), and CAMSOA (0.65–0.87), followed by MODIS-DB&DT (0.56–0.84) and WRF-Chem (0.43–0.85). However, CAMS-OA has a relatively high positive mean bias with respect to AERONET AOD. The spatial distributions of seasonally averaged AODs from WRF-Chem, assimilation products, and MAIAC are well correlated with MODIS-DB&DT AOD product. MAIAC has the highest correlation (R = 0.8), followed by MERRA-2 (R = 0.66), CAMS-OA (R = 0.65), and WRF-Chem (R = 0.61). WRF-Chem, MERRA-2, and MAIAC underestimate and CAMS-OA overestimates MODIS-DB&DT AOD. The simulated and observed PM concentrations might differ by a factor of 2 because it is more challenging for the model and the assimilation products to reproduce PM concentration measured within the city. Although aerosol fields in WRF-Chem and assimilation products are entirely consistent, WRF-Chem is preferable for analysis of regional air quality over the ME due to its higher spatial resolution and better SO2 emissions. The WRF-Chem’s PM background concentrations exceed the World Health Organization (WHO) guidelines over the entire ME. Mineral dust is the major contributor to PM (≈ 75%–95%) compared to other aerosol types. Near and downwind from the SO2 emission sources, non-dust aerosols (primarily sulfate) contribute up to 30% to PM(sub 2.5). The contribution of sea salt to PM in coastal regions can reach 5%. The contributions of organic matter, black carbon and organic carbon to PM over the Middle East are insignificant. In the major cities over the Arabian Peninsula, the 90th percentile of PM(sub 10) and PM(sub 2.5) (particles with diameters less than 10 and 2.5 μm, respectively) daily mean surface concentrations exceed the corresponding Kingdom of Saudi Arabia air quality limits. The contribution of the non-dust component to PM(sub 2.5) is < 25%, which limits the emission control effect on air quality. The mitigation of the dust effect on air quality requires the development of environment-based approaches like growing tree belts around the cities and enhancing in-city vegetation cover. The WRF-Chem configuration presented in this study could be a prototype of a future air quality forecast system that warns the population against air pollution hazards.

Alexander Ukhov↗
DOE OSTI2016

A new stepwise carbon cycle data assimilation system using multiple data streams to constrain the simulated land surface carbon cycle

Here, large uncertainties in land surface models (LSMs) simulations still arise from inaccurate forcing, poor description of land surface heterogeneity (soil and vegetation properties), incorrect model parameter values and incomplete representation of biogeochemical processes. The recent increase in the number and type of carbon cycle-related observations, including both in situ and remote sensing measurements, has opened a new road to optimize model parameters via robust statistical model–data integration techniques, in order to reduce the uncertainties of simulated carbon fluxes and stocks. In this study we present a carbon cycle data assimilation system that assimilates three major data streams, namely the Moderate Resolution Imaging Spectroradiometer (MODIS)-Normalized Difference Vegetation Index (NDVI) observations of vegetation activity, net ecosystem exchange (NEE) and latent heat (LE) flux measurements at more than 70 sites (FLUXNET), as well as atmospheric CO 2 concentrations at 53 surface stations, in order to optimize the main parameters (around 180 parameters in total) of the Organizing Carbon and Hydrology in Dynamics Ecosystems (ORCHIDEE) LSM (version 1.9.5 used for the Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations). The system relies on a stepwise approach that assimilates each data stream in turn, propagating the information gained on the parameters from one step to the next. Overall, the ORCHIDEE model is able to achieve a consistent fit to all three data streams, which suggests that current LSMs have reached the level of development to assimilate these observations. The assimilation of MODIS-NDVI (step 1) reduced the growing season length in ORCHIDEE for temperate and boreal ecosystems, thus decreasing the global mean annual gross primary production (GPP). Using FLUXNET data (step 2) led to large improvements in the seasonal cycle of the NEE and LE fluxes for all ecosystems (i.e., increased amplitude for temperate ecosystems). The assimilation of atmospheric CO 2 , using the general circulation model (GCM) of the Laboratoire de Météorologie Dynamique (LMDz; step 3), provides an overall constraint (i.e., constraint on large-scale net CO 2 fluxes), resulting in an improvement of the fit to the observed atmospheric CO 2 growth rate. Thus, the optimized model predicts a land C (carbon) sink of around 2.2 PgC yr -1 (for the 2000–2009 period), which is more compatible with current estimates from the Global Carbon Project (GCP) than the prior value. The consistency of the stepwise approach is evaluated with back-compatibility checks. The final optimized model (after step 3) does not significantly degrade the fit to MODIS-NDVI and FLUXNET data that were assimilated in the first two steps, suggesting that a stepwise approach can be used instead of the more “challenging” implementation of a simultaneous optimization in which all data streams are assimilated together. Most parameters, including the scalar of the initial soil carbon pool size, changed during the optimization with a large error reduction. This work opens new perspectives for better predictions of the land carbon budgets.

58 GEOSCIENCES↗
NASA NTRS2003

Internal Flow Thermal/Fluid Modeling of STS-107 Port Wing in Support of the Columbia Accident Investigation Board

As part of the aero-thermodynamics team supporting the Columbia Accident Investigation Board (CAB), the Marshall Space Flight Center was asked to perform engineering analyses of internal flows in the port wing. The aero-thermodynamics team was split into internal flow and external flow teams with the support being divided between shorter timeframe engineering methods and more complex computational fluid dynamics. In order to gain a rough order of magnitude type of knowledge of the internal flow in the port wing for various breach locations and sizes (as theorized by the CAB to have caused the Columbia re-entry failure), a bulk venting model was required to input boundary flow rates and pressures to the computational fluid dynamics (CFD) analyses. This paper summarizes the modeling that was done by MSFC in Thermal Desktop. A venting model of the entire Orbiter was constructed in FloCAD based on Rockwell International s flight substantiation analyses and the STS-107 reentry trajectory. Chemical equilibrium air thermodynamic properties were generated for SINDA/FLUINT s fluid property routines from a code provided by Langley Research Center. In parallel, a simplified thermal mathematical model of the port wing, including the Thermal Protection System (TPS), was based on more detailed Shuttle re-entry modeling previously done by the Dryden Flight Research Center. Once the venting model was coupled with the thermal model of the wing structure with chemical equilibrium air properties, various breach scenarios were assessed in support of the aero-thermodynamics team. The construction of the coupled model and results are presented herein.

Sharp, John R.↗
DOE OSTI2018

Field-warmed soil carbon changes imply high 21st-century modeling uncertainty

Abstract. The feedback between planetary warming and soil carbon loss has been the focus of considerable scientific attention in recent decades, due to its potential to accelerate anthropogenic climate change. The soil carbon temperature sensitivity is traditionally estimated from short-term respiration measurements – either from laboratory incubations that are artificially manipulated or from field measurements that cannot distinguish between plant and microbial respiration. To address these limitations of previous approaches, we developed a new method to estimate soil temperature sensitivity (Q10) of soil carbon directly from warming-induced changes in soil carbon stocks measured in 36 field experiments across the world. Variations in warming magnitude and control organic carbon percentage explained much of field-warmed organic carbon percentage (R2 = 0.96), revealing Q10 across sites of 2.2 [1.6, 2.7] 95 % confidence interval (CI). When these field-derived Q10 values were extrapolated over the 21st century using a post hoc correction of 20 Coupled Model Intercomparison Project Phase 5 (CMIP5) Earth system model outputs, the multi-model mean soil carbon stock changes shifted from the previous value of 88 ± 153 Pg carbon (weighted mean ± 1 SD) to 19 ± 155 Pg carbon with a Q10-driven 95 % CI of 248 ± 191 to −95 ± 209 Pg carbon. On average, incorporating the field-derived Q10 values into Earth system model simulations led to reductions in the projected amount of carbon sequestered in the soil over the 21st century. However, the considerable parameter uncertainty led to extremely high variability in soil carbon stock projections within each model; intra-model uncertainty driven by the field-derived Q10 was as great as that between model variation. This study demonstrates that data integration should capture the variation of the system, as well as mean trends.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Comparison of methods to estimate aerosol effective radiative forcings in climate models

Abstract. Uncertainty in the effective radiative forcing (ERF) of climate primarily arises from the unknown contribution of aerosols, which impact radiative fluxes directly and through modifying cloud properties. Climate model simulations with fixed sea surface temperatures but perturbed atmospheric aerosol loadings allow for an estimate of how strongly the planet's radiative energy budget has been perturbed by the increase in aerosols since pre-industrial times. The approximate partial radiative perturbation (APRP) technique further decomposes the contributions to the direct forcing due to aerosol scattering and absorption and to the indirect forcing due to aerosol-induced changes in cloud scattering, amount, and absorption, as well as the effects of aerosols on surface albedo. Here we evaluate previously published APRP-derived estimates of aerosol effective radiative forcings from these simulations conducted in the sixth phase of the Coupled Model Intercomparison Project (CMIP6) and find that they are biased as a result of two large coding errors that – in most cases – fortuitously compensate. The most notable exception is the direct radiative forcing from absorbing aerosols, which is more than 40 % larger averaged across CMIP6 models in the present study. Correcting these biases eliminates the residuals and leads to better agreement with benchmark estimates derived from double calls to the radiation code. The APRP method – when properly implemented – remains a highly accurate and efficient technique for diagnosing aerosol ERF in cases where double radiation calls are not available, and in all cases it provides quantification of the individual contributors to the ERF that are highly useful but not otherwise available.

58 GEOSCIENCES↗
DOE OSTI2023

Simulating molecular polaritons in the collective regime using few-molecule models

The study of molecular polaritons beyond simple quantum emitter ensemble models (e.g., Tavis–Cummings) is challenging due to the large dimensionality of these systems and the complex interplay of molecular electronic and nuclear degrees of freedom. This complexity constrains existing models to either coarse-grain the rich physics and chemistry of the molecular degrees of freedom or artificially limit the description to a small number of molecules. In this work, we exploit permutational symmetries to drastically reduce the computational cost of ab initio quantum dynamics simulations for large N . Furthermore, we discover an emergent hierarchy of timescales present in these systems, that justifies the use of an effective single molecule to approximately capture the dynamics of the entire ensemble, an approximation that becomes exact as N → ∞. We also systematically derive finite N corrections to the dynamics and show that addition of k extra effective molecules is enough to account for phenomena whose rates scale as 𝒪( N − k ). Based on this result, we discuss how to seamlessly modify existing single-molecule strong coupling models to describe the dynamics of the corresponding ensemble. We call this approach collective dynamics using truncated equations (CUT-E), benchmark it against well-known results of polariton relaxation rates, and apply it to describe a universal cavity-assisted energy funneling mechanism between different molecular species. Beyond being a computationally efficient tool, this formalism provides an intuitive picture for understanding the role of bright and dark states in chemical reactivity, necessary to generate robust strategies for polariton chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

The effects of site asymmetry on near-degenerate state-to-state vibronic mixing in flexible bichromophores

Laser-induced fluorescence excitation and dispersed fluorescence spectra of a model flexible bichromophore, 1,1-diphenylethane (DPE), have been recorded under jet-cooled conditions in the gas phase in the region near the first pair of near-degenerate excited states (S 1 and S 2 ). The S 1 and S 2 origin transitions have been identified at 37 397 and 37 510 cm –1 , a splitting of 113 cm –1 . This splitting is four times smaller than the excitonic splitting calculated by ab initio methods at the EOM-CCSD/cc-pVDZ level of theory (410 cm –1 ), which necessarily relies on the Born-Oppenheimer approximation. Dispersed fluorescence spectra provide a state-to-state picture of the vibronic coupling. Furthermore, these results are compared with the results of a multimode vibronic coupling model capable of treating chromophores in asymmetric environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Semi-numerical solution to a fractal telegraphic dual-porosity fluid flow model

We present a semi-numerical solution to a fractal telegraphic dual-porosity fluid flow model. It combines Laplace transform and finite difference schemes. The Laplace transform handles the time variable whereas the finite difference method deals with the spatial coordinate. This semi-numerical scheme is not restricted by space discretization and allows the computation of a solution at any time without compromising numerical stability or the mass conservation principle. Our formulation results in a non-analytically-solvable second-order differential equation whose spatial discretization yields a tridiagonal linear algebraic system. Moreover, we describe comparisons between semi-numerical and semi-analytical solutions for particular cases. Results agree well with those from semi-analytic solutions. Furthermore, we expose a parametric analysis from the coupled model in order to show the effects of relevant parameters on pressure profiles and flow rates for the case where neither analytic nor semi-analytic solutions are available.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Multidisciplinary analysis and sensitivity derivatives for isolated helicopter rotors in hover

A new method is presented for using Navier-Stokes results in the system analysis and sensitivity derivative computations for a helicopter rotor in hover. The system coupling includes the interactions between rotor performance, rotor structural properties and aerodynamics (i.e., airfoil shape). Emphasis is placed on the use of high fidelity Navier-Stokes algorithms for the aerodynamic problem. The present formulation is chosen to reduce the number of sensitivity derivative equations and their dimensions as much as possible. In addition, an alternative adjoint formulation is presented which dramatically reduces the computational requirement for disciplines in which there may be a large number of design variables (e.g., aerodynamics). The theoretical method makes use of a combination of derivatives from each discipline; the computation of these derivatives has already been shown to be feasible. Sample computations for the aerodynamic-rotor model coupling and an associated sensitivity derivative are also presented.

Jones, Henry E.↗
NASA NTRSDate not supplied

FUTURE LEVELS OF AEROSOLS & RADIATIVE FORCING OVER THE ARCTIC

The Arctic Monitoring and Assessment Programme (AMAP) is currently assessing the impacts of Short-Lived Climate Forcers (SLCF) on Arctic climate and air quality. In support of the assessment, we used the NASA Goddard Institute of Space Sciences (GISS) Earth System Model (modelE2.1), with prescribed sea surface temperature and sea-ice fraction, to simulate SLCF concentrations globally between 1995 and 2015. Two simulations were conducted, using the One-Moment Aerosol (OMA) and the Multiconfiguration Aerosol TRacker of mIXing state (MATRIX) aerosol modules. OMA is a mass-based scheme in which aerosols are assumed to remain externally mixed and have a prescribed and constant size distribution, while MATRIX is an aerosol microphysics scheme based on the quadrature method of moments, which is able to explicitly simulate the mixing state of aerosols. Anthropogenic emissions from the ECLIPSE v6b emissions database were used, along with emissions from aircrafts and open biomass burning from the Coupled Model Intercomparison Project Phase 6 (CMIP6), while the natural emissions of sea salt, DMS, isoprene and dust are calculated interactively. The simulated monthly surface concentrations of sulfate (SO4), black carbon (BC), organic carbon (OA), and ozone (O3) are compared with observations from a set of Arctic stations, extracted from the EBAS and IMPROVE databases, as well as a few additional locations. Simulated aerosol optical depths (AOD) are also compared with Advanced Very-High Resolution Radiometer (AVHRR). The study will present the evaluation of the modelE2.1 in simulating SLCF levels over the Arctic using different aerosol schemes, along with observed and simulated trends of SLCFs over the Arctic between 1995 and 2015.

Aersosols↗
DOE OSTI2015

Constant-complexity stochastic simulation algorithm with optimal binning

At the molecular level, biochemical processes are governed by random interactions between reactant molecules, and the dynamics of such systems are inherently stochastic. When the copy numbers of reactants are large, a deterministic description is adequate, but when they are small, such systems are often modeled as continuous-time Markov jump processes that can be described by the chemical master equation. Gillespie’s Stochastic Simulation Algorithm (SSA) generates exact trajectories of these systems, but the amount of computational work required for each step of the original SSA is proportional to the number of reaction channels, leading to computational complexity that scales linearly with the problem size. The original SSA is therefore inefficient for large problems, which has prompted the development of several alternative formulations with improved scaling properties. We describe an exact SSA that uses a table data structure with event time binning to achieve constant computational complexity with respect to the number of reaction channels for weakly coupled reaction networks. We present a novel adaptive binning strategy and discuss optimal algorithm parameters. We compare the computational efficiency of the algorithm to existing methods and demonstrate excellent scaling for large problems. This method is well suited for generating exact trajectories of large weakly coupled models, including those that can be described by the reaction-diffusion master equation that arises from spatially discretized reaction-diffusion processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗