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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 325 records · Page 18

All sources NASA NTRS DOE OSTI

NASA NTRS2018

Swelling of Transported Smoke from Savanna Fires over the Southeast Atlantic Ocean

We use the recently released Cloud Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) Version 4.1 (V4) lidar data to study the smoke plumes transported from Southern African biomass burning areas. Significant improvements in the CALIPSO V4 Level 1 calibration and V4 Level 2 algorithms lead to a better representation of their optical properties, with the aerosol subtype improvements being particularly relevant to smoke over this area. For the first time, we show evidence of smoke particles increasing in size, evidenced in their particulate color ratios, as they are transported over the South Atlantic Ocean from the source regions over Southern Africa. We hypothesize that this is due to hygroscopic swelling of the smoke particles and is reflected in the higher relative humidity in the middle troposphere for profiles with smoke. This finding may have implications for radiative forcing estimates over this area and is also relevant to the ORACLES field mission.

Kar, J.↗

NASA NTRS2018

Swelling of Transported Smoke from Savanna Fires over the Southeast Atlantic Ocean

We use the recently released Cloud Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) Version 4.1 (V4) lidar data to study the smoke plumes transported from Southern African biomass burning areas. Significant improvements in the CALIPSO V4 Level 1 calibration and V4 Level 2 algorithms lead to a better representation of their optical properties, with the aerosol subtype improvements being particularly relevant to smoke over this area. For the first time, we show evidence of smoke particles increasing in size, as demonstrated by their particulate color ratios, as they are transported over the South Atlantic Ocean from the source regions over Southern Africa. We hypothesize that this is due to hygroscopic swelling of the smoke particles and is reflected in the higher relative humidity in the middle troposphere for profiles with smoke. This finding may have implications for radiative forcing estimates over this area and is also relevant to the ORACLES field mission.

J. Kar↗

DOE OSTI2022

Meso-Scale Electrodynamic Coupling of the Earth Magnetosphere-Ionosphere System

Within the fully integrated magnetosphere-ionosphere system, many electrodynamic processes interact with each other. We review recent advances in understanding three major meso-scale coupling processes within the system: the transient field-aligned currents (FACs), mid-latitude plasma convection, and auroral particle precipitation. (1) Transient FACs arise due to disturbances from either dayside or nightside magnetosphere. As the interplanetary shocks suddenly compress the dayside magnetosphere, short-lived FACs are induced at high latitudes with their polarity successively changing. Magnetotail dynamics, such as substorm injections, can also disturb the current structures, leading to the formation of substorm current wedges and ring current disruption. (2) The mid-latitude plasma convection is closely associated with electric fields in the system. Recent studies have unraveled some important features and mechanisms of subauroral fast flows. (3) Charged particles, while drifting around the Earth, often experience precipitating loss down to the upper atmosphere, enhancing the auroral conductivity. Recent studies have been devoted to developing more self-consistent geospace circulation models by including a better representation of the auroral conductance. It is expected that including these new advances in geospace circulation models could promisingly strengthen their forecasting capability in space weather applications. The remaining challenges especially in the global modeling of the circulation system are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Apparent dust size discrepancy in aerosol reanalysis in north African dust after long-range transport

North African dust reaches the southeastern United States every summer. Size-resolved dust mass measurements taken in Miami, Florida, indicate that more than one-half of the surface dust mass concentrations reside in particles with geometric diameters less than 2.1 µm, while vertical profiles of micropulse lidar depolarization ratios show dust reaching above 4 km during pronounced events. These observations are compared to the representation of dust in the Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA-2) aerosol reanalysis and closely related Goddard Earth Observing System model version 5 (GEOS-5) Forward Processing (FP) aerosol product, both of which assimilate satellite-derived aerosol optical depths using a similar protocol and inputs. These capture the day-to-day variability in aerosol optical depth well, in a comparison to an independent sun-photometer-derived aerosol optical depth dataset. Most of the modeled dust mass resides in diameters between 2 and 6 µm, in contrast to the measurements. Model-specified mass extinction efficiencies equate light extinction with approximately 3 times as much aerosol mass, in this size range, compared to the measured dust sizes. GEOS-5 FP surface-layer sea salt mass concentrations greatly exceed observed values, despite realistic winds and relative humidities. In combination, these observations help explain why, despite realistic total aerosol optical depths, (1) free-tropospheric model volume extinction coefficients are lower than those retrieved from the micro-pulse lidar, suggesting too-low model dust loadings in the free troposphere, and (2) model dust mass concentrations near the surface can be higher than those measured. The modeled vertical distribution of dust, when captured, is reasonable. Large, aspherical particles exceeding the modeled dust sizes are also occasionally present, but dust particles with diameters exceeding 10 µm contribute little to the measured total dust mass concentrations after such long-range transport. Remaining uncertainties warrant a further integrated assessment to confirm this study's interpretations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2020

Apparent dust size discrepancy in aerosol reanalysis in north African dust after long-range transport

MEERA-2 aerosols reanalysis↗

NASA NTRS2016

Polarized Radiative Transfer of a Cirrus Cloud Consisting of Randomly Oriented Hexagonal Ice Crystals: The 3 x 3 Approximation for Non-Spherical Particles

The reflection and transmission of polarized light for a cirrus cloud consisting of randomly oriented hexagonal columns were calculated by two very different vector radiative transfer models. The forward peak of the phase function for the ensemble-averaged ice crystals has a value of order 6 x 10(exp 3) so a truncation procedure was used to help produce numerically efficient yet accurate results. One of these models, the Vectorized Line-by-Line Equivalent model (VLBLE), is based on the doubling- adding principle, while the other is based on a vector discrete ordinates method (VDISORT). A comparison shows that the two models provide very close although not entirely identical results, which can be explained by differences in treatment of single scattering and the representation of the scattering phase matrix. The relative differences in the reflected I and Q Stokes parameters are within 0.5 for I and within 1.5 for Q for all viewing angles. In 1971 Hansen showed that for scattering by spherical particles the 3 x 3 approximation is sufficient to produce accurate results for the reflected radiance I and the degree of polarization (DOP), and he conjectured that these results would hold also for non-spherical particles. Simulations were conducted to test Hansen's conjecture for the cirrus cloud particles considered in this study. It was found that the 3 x 3 approximation also gives accurate results for the transmitted light, and for Q and U in addition to I and DOP. For these non-spherical ice particles the 3 x 3 approximation leads to an absolute error 2 x 10(exp -6) for the reflected and transmitted I, Q and U Stokes parameters. Hence, it appears to be an excellent approximation, which significantly reduces the computational complexity and burden required for multiple scattering calculations.

Polarization↗

DOE OSTI2023

Lightweight and effective tensor sensitivity for atomistic neural networks

Atomistic machine learning focuses on the creation of models that obey fundamental symmetries of atomistic configurations, such as permutation, translation, and rotation invariances. In many of these schemes, translation and rotation invariance are achieved by building on scalar invariants, e.g., distances between atom pairs. There is growing interest in molecular representations that work internally with higher rank rotational tensors, e.g., vector displacements between atoms, and tensor products thereof. Here, we present a framework for extending the Hierarchically Interacting Particle Neural Network (HIP-NN) with Tensor Sensitivity information (HIP-NN-TS) from each local atomic environment. Crucially, the method employs a weight tying strategy that allows direct incorporation of many-body information while adding very few model parameters. We show that HIP-NN-TS is more accurate than HIP-NN, with negligible increase in parameter count, for several datasets and network sizes. As the dataset becomes more complex, tensor sensitivities provide greater improvements to model accuracy. In particular, HIP-NN-TS achieves a record mean absolute error of 0.927 $\frac{\text{kcal}}{\text{mol}}$ for conformational energy variation on the challenging COMP6 benchmark, which includes a broad set of organic molecules. We also compare the computational performance of HIP-NN-TS to HIP-NN and other models in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Squeezing quantum states in three-dimensional twisted crystals

Bloch's theorem provides a conventional starting point for describing wave propagation in periodic media, but in ordered materials where competing spatial periods coexist it is rendered ineffective, often with dramatic consequences. Here we develop an alternate approach that uses coherent free-particle vortex states to study quantum states in supertwisted crystals: three-dimensional stacks of atomically thin two-dimensional layers. Here, this formalism leads naturally to the representation of the spectrum using squeezed coherent states, and it reveals the crucial role of a Coriolis coupling in the equations of motion. This identifies an underlying noncommutative geometry and novel edge state structure in a family of complex ordered structures.

36 MATERIALS SCIENCE↗

NASA NTRS1981

Three-dimensional separated flows past ground vehicles

The separated flow past a thick body is calculated using a theoretical model based on a discrete wake-vortex representation. Rehbach's unsteady inviscid scheme (1977) was used in the three-dimensional analysis. The obstacle is represented by singularities, and the wake is modeled by vortex particles emitted at the separation line. Calculated results for an axisymmetric body are compared with flow visualization results.

Chometon, F.↗

NASA NTRS1985

Grid-free simulation of diffusion using random walk methods

The simulation of the diffusion of a continuum field by the random walk (RW) displacement of a set of particles is considered. Elements of the gradients of the diffusive concentration are transported by computational particles. It is demonstrated that, by the use of concentration gradients in the RW process, statistical errors are reduced and each realization of the numerical solution is a representation of the exact solution. The algorithm is grid-free, and the computational elements move to follow the gradients; hence, the algorithm is self-adaptive, and uniform resolution is achieved for all times.

Ghoniem, A. F.↗

DOE OSTI2020

High concentration of ultrafine particles in the Amazon free troposphere produced by organic new particle formation

The large concentrations of ultrafine particles consistently observed at high altitudes over the tropics represent one of the world’s largest aerosol reservoirs, which may be providing a globally important source of cloud condensation nuclei. However, the sources and chemical processes contributing to the formation of these particles remain unclear. Here we investigate new particle formation (NPF) mechanisms in the Amazon free troposphere by integrating insights from laboratory measurements, chemical transport modeling, and field measurements. To account for organic NPF, we develop a comprehensive model representation of the temperature-dependent formation chemistry and thermodynamics of extremely low volatility organic compounds as well as their roles in NPF processes. We find that pure-organic NPF driven by natural biogenic emissions dominates in the uppermost troposphere above 13 km and accounts for 65 to 83% of the column total NPF rate under relatively pristine conditions, while ternary NPF involving organics and sulfuric acid dominates between 8 and 13 km. The large organic NPF rates at high altitudes mainly result from decreased volatility of organics and increased NPF efficiency at low temperatures, somewhat counterbalanced by a reduced chemical formation rate of extremely low volatility organic compounds. These findings imply a key role of naturally occurring organic NPF in high-altitude preindustrial environments and will help better quantify anthropogenic aerosol forcing from preindustrial times to the present day.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Computational fluid dynamic analysis of a novel particle-to-air fluidized-bed heat exchanger for particle-based thermal energy storage applications

Long-duration energy storage technologies are being targeted to enable cost-effective, decarbonized energy systems. Particle-based thermal energy storage systems are one promising technology by storing excess electricity or heat as sensible thermal energy in inexpensive, solid, inert particles. These systems are only possible if an effective and economical particle-to-working fluid heat exchanger exists. This study predicts the performance of a proposed, direct-contact, particle-to-air, pressurized fluidized-bed heat exchanger using computational fluid dynamics. The common Eulerian-Eulerian framework for modeling fluidized beds is first benchmarked to experimental results at a previously untested operating condition and application. Then, the benchmarked model evaluates the performance of a proposed design for a commercial-scale version of the novel particle-to-air heat exchanger. The results show pressure drop and gas-phase approach temperatures are advantageous compared to other proposed designs for particle-to-air heat exchangers in the literature; approach temperatures were less than 5 °C and gas-phase pressure drop across the fluidized bed was 32 kPa. The model also highlights the importance of gas distributor design and representation in the Eulerian-Eulerian framework to control fluidization behavior. In conclusion, the model built and benchmarked in this study can be leveraged to advance the design and analysis of these heat exchangers critical to the deployment of a promising long-duration energy storage technology.

25 ENERGY STORAGE↗

DOE OSTI2023

Neural embedding: learning the embedding of the manifold of physics data

In this paper, we present a method of embedding physics data manifolds with metric structure into lower dimensional spaces with simpler metrics, such as Euclidean and Hyperbolic spaces. We then demonstrate that it can be a powerful step in the data analysis pipeline for many applications. Using progressively more realistic simulated collisions at the Large Hadron Collider, we show that this embedding approach learns the underlying latent structure. With the notion of volume in Euclidean spaces, we provide for the first time a viable solution to quantifying the true search capability of model agnostic search algorithms in collider physics (i.e. anomaly detection). Finally, we discuss how the ideas presented in this paper can be employed to solve many practical challenges that require the extraction of physically meaningful representations from information in complex high dimensional datasets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Improved Dust Representation and Impacts on Dust Transport and Radiative Effect in CAM5

Dust transport and spatial distribution are poorly represented in current global climate models (GCMs) including the Community Atmosphere Model version 5 (CAM5). Particularly, models lack explicit representation of super-coarse dust, which may have important implications for dust radiative forcing and impacts on biogeochemistry. A nine-mode version of the modal aerosol model (MAM9) has been developed to address these issues. In this new aerosol scheme, four dust modes have been designed to treat dust particles of sizes up to 20 μm. The MAM9-simulated results are compared with those from the default four-mode version of MAM (MAM4) and also with the in situ surface measurements of dust concentration and deposition flux, satellite-retrieved dust extinction profile, and in situ vertical measurements of dust concentrations from the NASA Atmosphere Tomography Mission (ATom). Overall, MAM9 improves the dust representation in remote regions while maintaining reasonably good results near the dust source regions. In addition, MAM9 reduces the fine dust burden and increases the coarse dust burden globally. The increased coarse dust burden has slightly increased the dust direct radiative effect by 0.01 W m –2 while it enhanced dust indirect radiative effect by 0.36 W m –2 , globally.

58 GEOSCIENCES↗

DOE OSTI2020

Wavelet representation of light-front quantum field theory

Not Available

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1990

Satellite sweeping of electrons at Neptune and Uranus

Knowledge of satellite sweeping parameters at Neptune and Uranus, and of their functional dependences on particle energy and pitch angle, can be critical in the proper identification of parent absorbers for observed absorption signatures in regions where OTD (offset, tilted dipole) models are valid representations of the measured magnetic fields. In this paper, critical electron energies are calculated for longitudinal drift resonance, snowplow (i.e., strong) absorption, leapfrog, and corkscrew effects, using a reduced version of OTD that neglects nonaxial dipole offsets. Earlier analytic work on sweeping rates is extended to give the radial dependence of these rates within the minimum-L region and to set limits on diffusion of electrons with the simplifying approximation that leapfrog effects are ignored.

Cooper, John F.↗

DOE OSTI2021

Dispersion and the speed-limited particle-in-cell algorithm

This paper discusses temporally continuous and discrete forms of the speed-limited particle-in-cell (SLPIC) method first treated by Werner et al. [Phys. Plasmas 25, 123512 (2018)]. The dispersion relation for a 1D1V electrostatic plasma whose fast particles are speed-limited is derived and analyzed. By examining the normal modes of this dispersion relation, we show that the imposed speed-limiting substantially reduces the frequency of fast electron plasma oscillations while preserving the correct physics of lower-frequency plasma dynamics (e.g. ion acoustic wave dispersion and damping). We then demonstrate how the timestep constraints of conventional electrostatic particle-in-cell methods are relaxed by the speed-limiting approach, thus enabling larger timesteps and faster simulations. Here, these results indicate that the SLPIC method is a fast, accurate, and powerful technique for modeling plasmas wherein electron kinetic behavior is nontrivial (such that a fluid/Boltzmann representation for electrons is inadequate) but evolution is on ion timescales.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Collective mode Brownian dynamics: A method for fast relaxation of statistical ensembles

Sampling equilibrium configurations of correlated systems of particles with long relaxation times (e.g., polymeric solutions) using conventional molecular dynamics and Monte Carlo methods can be challenging. This is especially true for systems with complicated, extended bond network topologies and other interactions that make the use and design of specialized relaxation protocols infeasible. We introduce a method based on Brownian dynamics simulations that can reduce the computational time it takes to reach equilibrium and draw decorrelated samples. Importantly, the method is completely agnostic to the particle configuration and the specifics of interparticle forces. In particular, we develop a mobility matrix that excites non-local, collective motion of N particles and can be computed efficiently in $\mathcal{O}(N)$ time. Particle motion in this scheme is computed by integrating the overdamped Langevin equation with an Euler–Maruyama scheme, in which Brownian displacements are drawn efficiently using a low-rank representation of the mobility matrix in position and wave space. We demonstrate the efficacy of the method with various examples from the realm of soft condensed matter and release a massively parallel implementation of the code as a plugin for the open-source package HOOMD-blue [J. A. Anderson et al., J. Comput. Phys. 227, 5342 (2008) and J. Glaser et al., Comput. Phys. Commun. 192, 97 (2015)] which runs on graphics processing units

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗