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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Modeling Volatility-Based Aerosol Phase State Predictions in the Amazon Rainforest

Organic aerosol (OA) is a complex matrix of various constituents—fresh (primary organic aerosols—POA) and aged via oxidation (secondary organic aerosols—SOA), generated from biogenic, anthropogenic, and biomass burning sources. The viscosity of OA can be critical in influencing new particle formation, reactive uptake processes that impact evaporation-growth kinetics, and the lifetime of particles in the atmosphere. We report this work utilizes a well-defined relationship between volatility and viscosity for pure compounds, which we incorporated within the Weather Research and Forecasting Model coupled to chemistry (WRF-Chem) to simulate the phase state and viscosity of bulk OA during the dry-to-wet transition season (September–October) in the Amazon rainforest during 2014. Our simulations indicate spatial and temporal heterogeneity in aerosol phase state often not captured by global-scale models. We show the strong role of water associated with organic aerosol ($w_s$) as the dominant factor that can be used to quantitatively estimate OA viscosity. Analysis of WRF-Chem simulations across the entire atmospheric column indicates a strong inverse log-linear relationship between $w_s$ and OA viscosity with a correlation coefficient approaching 1, in the background and biomass burning-influenced conditions. At high altitudes where relative humidity (RH) and temperatures are low, our simulations indicate that OA exists in a semisolid-/solid-like phase state, consistent with previous studies. OA hygroscopicity is strongly correlated (ca. –0.8) with OA viscosity at RH ca. 30–50%, but this RH range is found mostly at low OA concentrations and the middle troposphere (ca. 6–10 km altitudes) in our simulated domain. OA hygroscopicity is uncorrelated with viscosity at higher-RH (near surface) and lower-RH (upper troposphere) regimes. At the urban site near surface, where day–night differences in RH are significant, RH is found to drive the phase state. At the background forested site near surface, where day–night RH differences are small, biomass burning-influenced OA is semisolid and a significant OA associated with background conditions is liquid-like. Simulations indicate a long tail of OA viscosity frequency distributions extending in the semisolid/solid regimes over background biogenic-influenced conditions due to the role of low-volatility OA components such as monoterpene oxidation products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Clouds, Aerosol, and Precipitation in the Marine Boundary Layer (CAP-MBL) Final Campaign Report

The extensive coverage of low clouds over the subtropical eastern oceans greatly impacts the current climate. In addition, the response of low clouds to changes in atmospheric greenhouse gases and aerosols is a major source of uncertainty, which thwarts accurate prediction of future climate change. Low clouds are poorly simulated in climate models, partly due to inadequate long-term simultaneous observations of their macrophysical and microphysical structure, radiative effects, and associated aerosol distribution in regions where their impact is greatest. The thickness and extent of subtropical low clouds is dependent on tight couplings between surface fluxes of heat and moisture, radiative cooling, boundary layer turbulence, and precipitation (much of which evaporates before reaching the ocean surface and is closely connected to the abundance of cloud condensation nuclei). These couplings have been documented as a result of past field programs and model studies. However, extensive research is still required to achieve a quantitative understanding sufficient for developing parameterizations, which adequately predict aerosol indirect effects and low cloud response to climate perturbations. This is especially true of the interactions between clouds, aerosol, and precipitation. These processes take place in an ever-changing synoptic environment that can confound interpretation of short time period observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Development of a CPU/GPU portable software library for Lagrangian–Eulerian simulations of liquid sprays

The Lagrangian–Eulerian method is widely used for simulations of fuel sprays in turbulent combustion because of the advantage of treating the spray droplets as discrete points. One challenge of the Lagrangian–Eulerian method is the intense computational requirement when tracking the large number of Lagrangian particles needed for high fidelity. We have developed a performance-portable library, Grit, to track the Lagrangian particles in parallel on central processing unit (CPU) and graphics processing unit (GPU) accelerated high performance computing (HPC) architectures. Grit is a C++ library which employs Message Passing Interface (MPI) for distributed memory parallelism and Kokkos programming model for on-node shared memory parallelism with performance portability across different architectures of GPUs and multi-core/manycore CPUs. The parallel algorithms, key parallel kernels, and their performances on the pre-exascale supercomputer, Summit, are presented. Grit is coupled with a direct numerical simulation (DNS) solver, S3D, for multiphase simulations. A conservative formulation has been developed and implemented in Grit for phase coupling with thermodynamic consistency. The formulation separates the conservation of mass, momentum and energy from the physical models to prevent accidental violation of conservation laws due to inconsistent models. The formulation also enforces consistent definitions of enthalpies of the fuel for both phases and the latent heat of evaporation. Finally, simulations of turbulent particle-laden flow and the evaporation of dilute turbulent spray jet are performed to verify the software implementation, and to demonstrate the scalability of Grit for large-scale multiphase simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Apparent temperatures of neutron-poor and neutron-rich compound nuclei

The possibility of the dependence of the nuclear caloric curve on neutron excess sets a limit on the accuracy of our knowledge of the nuclear equation of state, and thus impacts predictive capabilities of nuclear reaction and nuclear astrophysics models. To date, theoretical models have not reached consensus on the magnitude or sign on the asymmetry dependence. To provide constraints, we have measured evaporated particles and heavy residues for complete and incomplete fusion-evaporation reactions in inverse kinematics. The temperatures extracted from the observed light charged particles tend to favor higher temperatures for the neutron-rich fused systems, though they are near the limits of the systematic uncertainty. The present measurement may be used as an upper limit to constrain the asymmetry dependence of the nuclear caloric curve.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Drizzle formation in stratocumulus clouds: Effects of turbulent mixing

The mechanism of drizzle formation in shallow stratocumulus clouds and the effect of turbulent mixing on this process are investigated. A Lagrangian–Eularian model of the cloud-topped boundary layer is used to simulate the cloud measured during flight RF07 of the DYCOMS-II field experiment. The model contains ~ 2000 air parcels that are advected in a turbulence-like velocity field. In the model all microphysical processes are described for each Lagrangian air volume, and turbulent mixing between the parcels is also taken into account. It was found that the first large drops form in air volumes that are closest to adiabatic and characterized by high humidity, extended residence near cloud top, and maximum values of liquid water content, allowing the formation of drops as a result of efficient collisions. The first large drops form near cloud top and initiate drizzle formation in the cloud. Drizzle is developed only when turbulent mixing of parcels is included in the model. Without mixing, the cloud structure is extremely inhomogeneous and the few large drops that do form in the cloud evaporate during their sedimentation. Lastly, it was found that turbulent mixing can delay the process of drizzle initiation but is essential for the further development of drizzle in the cloud.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

EVAPORATION INSIDE POROUS MEDIUM UNDER HEAT LOCALIZATION

Solar Vaporization using heat localization under solar irradiation has the potential to serve as an inexpensive and viable component of seawater desalination processes, industrial wastewater treatment, hydroponic greenhouse humidifiers, and steam generation systems. In this paper we tested different porosities of carbon foam (CF) and combinations of CF as interface media at 1.2 sun solar concentration, in search of a suitable candidate for use with distillation process. We developed an experimental condition to analyze how the heat localization is achieved in each case and investigated vapor temperatures, surface temperatures with single CF as interface. The rate of evaporation, temperature distribution in each combination is studied and suitable combination is selected to use in further testing of desalination model.

Jaladi, Divya↗
DOE OSTI2022

Modeling and Experiments on a Dedicated Outdoor Air System Using Liquid Desiccant Heat and Mass Exchangers

Liquid desiccants can provide efficient dehumidification but have yet to see widespread adoption. Most systems studied previously use natural gas-combustion to heat and regenerate the desiccant, and a central chiller plant or cooling tower for removing the heat of absorption. Here we present modeling and experimental results on a novel packaged air conditioner integrating liquid-desiccant heat and mass exchangers with a vapor compression cycle. The packaged system does not need cold or hot water from a central plant or cooling tower and is suitable for rooftop unit air conditioners. The system uses the evaporator to cool the liquid desiccant that is absorbing moisture from the air, and the condenser to heat the liquid desiccant to regenerate it. Efficiency is improved by reducing the load on the evaporator for a given supply-air dewpoint. This paper presents the measured dehumidification efficiency for a 10- ton packaged air conditioner, focusing on dehumidifying ventilation air. The paper also presents a numerical model to predict the outlet conditions and dehumidification efficiency, which we compare with the measured data.

air conditioning↗
DOE OSTI2016

In situ and ex situ formation models of Kepler 11 planets

We present formation simulations of the six Kepler 11 planets. Models assume either in situ or ex situ assembly, the latter with migration, and are evolved to the estimated age of the system, ≈8 Gyr. Models combine detailed calculations of both the gaseous envelope and the condensed core structures, including accretion of gas and solids, of the disk’s viscous and thermal evolution, including photo-evaporation and disk-planet interactions, and of the planet’s evaporative mass loss after disk dispersal. Planet–planet interactions are neglected. Both sets of simulations successfully reproduce measured radii, masses, and orbital distances of the planets, except for the radius of Kepler 11b, which loses its entire gaseous envelope shortly after formation. Gaseous (H+He) envelopes account for ≲18% of the planet masses, and between ≈35 and ≈60% of the planet radii. In situ models predict a very massive inner disk, whose solid surface density (σ{sub Z}) varies from over 10{sup 4} to ≈10{sup 3} g cm{sup −2} at stellocentric distances 0.1≲r≲0.5 au. Initial gas densities would be in excess of 10{sup 5} g cm{sup −2} if solids formed locally. Given the high disk temperatures (≳1000 K), planetary interiors can only be composed of metals and highly refractory materials. Sequestration of hydrogen by the core and subsequent outgassing is required to account for the observed radius of Kepler 11b. Ex situ models predict a relatively low-mass disk, whose initial σ{sub Z} varies from ≈10 to ≈5 g cm{sup −2} at 0.5≲r≲7 au and whose initial gas density ranges from ≈10{sup 3} to ≈100 g cm{sup −2}. All planetary interiors are expected to be rich in H{sub 2}O, as core assembly mostly occurs exterior to the ice condensation front. Kepler 11b is expected to have a steam atmosphere, and H{sub 2}O is likely mixed with H+He in the envelopes of the other planets. Results indicate that Kepler 11g may not be more massive than Kepler 11e.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Modelling the development of capillary pressure in freshly 3D-printed concrete elements

3D concrete printing is a promising technology recently developed to automate construction. Since no formwork is used in this technology to support and protect fresh concrete, there are two aspects which considerably accelerate the development of capillary pressure in 3D-printed concrete in comparison to conventionally placed concrete: i) high stiffness of 3D-printed needed to provide sufficient buildability, and ii) very early and fast evaporation of pore water. Accelerated development of capillary pressure may lead to severe plastic shrinkage cracking in 3D-printed elements and, hence, need to be mitigated. This investigation aims at providing a poromechanical model for capillary pressure development in 3D-printed elements. To simulate the development of capillary pressure and plastic shrinkage, environmental factors, material properties, and element geometry need to be considered as a whole. The model inputs – coefficient of permeability, static bulk modulus, air entry pressure and chemical shrinkage rate – were determined experimentally. The model was validated for two fine-grained concretes. Both 3D-printed materials yielded faster capillary pressure increase in comparison to cast concrete, while partial substitution of cement with silica fume further accelerated the capillary pressure development. Furthermore, due to the lower permeability of the mixture containing silica fume, the gradient of capillary pressure between 3D-printed layers increased, as did the gradient of plastic shrinkage.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Interpretation of time-of-flight distributions for neutral particles under pulsed laser evaporation using direct Monte Carlo simulation

A theoretical study of the time-of-flight (TOF) distributions under pulsed laser evaporation in vacuum has been performed. A database of TOF distributions has been calculated by the direct simulation Monte Carlo (DSMC) method. It is shown that describing experimental TOF signals through the use of the calculated TOF database combined with a simple analysis of evaporation allows determining the irradiated surface temperature and the rate of evaporation. Analysis of experimental TOF distributions under laser ablation of niobium, copper, and graphite has been performed, with the evaluated surface temperature being well agreed with results of the thermal model calculations. General empirical dependences are proposed, which allow indentifying the regime of the laser induced thermal ablation from the TOF distributions for neutral particles without invoking the DSMC-calculated database.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Determination of dispersion parameters of thermally deposited CdTe thin film

Cadmium Telluride (CdTe) thin film was deposited onto glass substrates under a vacuum of 5 × 10{sup −6} torr by using thermal evaporation technique. The prepared film was characterized for dispersion analysis from reflectance spectra within the wavelength range of 300 nm – 1100 nm which was recorded by using UV-Visible spectrophotometer. The dispersion parameters (oscillator strength, oscillator wavelength, high frequency dielectric constant, long wavelength refractive index, lattice dielectric constant and plasma resonance frequency) of CdTe thin film were investigated using single sellimeir oscillator model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Pore-scale water dynamics during drying and the impacts of structure and surface wettability

Plants and microbes secrete mucilage into soil during dry conditions, which can alter soil structure and increase contact angle. Structured soils exhibit a broad pore size distribution with many small and many large pores, and strong capillary forces in narrow pores can retain moisture in soil aggregates. Meanwhile, contact angle determines the water repellency of soils, which can result in suppressed evaporation rates. Although they are often studied independently, both structure and contact angle influence water movement, distribution, and retention in soils. Here drying experiments were conducted using soil micromodels patterned to emulate different aggregation states of a sandy loam soil. Micromodels were treated to exhibit contact angles representative of those in bulk soil (8.4° ± 1.9°) and the rhizosphere (65° ± 9.2°). Drying was simulated using a lattice Boltzmann single-component, multiphase model. In our experiments, micromodels with higher contact angle surfaces took 4 times longer to completely dry versus micromodels with lower contact angle surfaces. Microstructure influenced drying rate as a function of saturation and controlled the spatial distribution of moisture within micromodels. In conclusion, lattice Boltzmann simulations accurately predicted pore-scale moisture retention patterns within micromodels with different structures and contact angles.

4↗
DOE OSTI2020

Fluid Dynamics Effects on Microstructure Prediction in Single-Laser Tracks for Additive Manufacturing of IN625

Single-track laser fusion were simulated using a heat-transfer-solidification-only (HTS) model and its extension with fluid dynamics (HTS_FD) model using a parallel open-source code, which included laminar fluid dynamics, flat-free surface of the molten alloy, heat transfer, phase-change, evaporation, and surface tension phenomena. The results illustrate that the fluid dynamics affects the solidification and ensuing microstructure. For the HTS_FD simulations, thermal gradient, G was found to exhibit a maximum at the extremity of the solidified pool ( i.e. , at the free surface), while for HTS simulations, G exhibited a maximum around the entire edge of the solidified pool. HTS_FD simulations predicted a wider range of cooling rates than the HTS simulations, exhibited an increased spread in the solidification speed, V variation within the melt-pool with respect to the HTS model results. Primary dendrite arm spacing (PDAS) were evaluated based on power law correlations and marginal stability theory models using the ( G , V ) from HTS and HTS_FD simulations to quantify the effect of the fluid dynamics on the microstructure. At low-laser powers and low-scan speeds, the PDAS obtained with the fluid dynamics model (HTS_FD) was larger by more than 30 pct with respect to the PDAS calculated with the simple HTS model. A new PDAS correlation, i.e. , \( \lambda_{1} \left[ {\mu {\text{m}}} \right] = 832\;G\left[ {\text{K/m}} \right]^{ - 0.5} V\left[ {\text{m/s}} \right]^{ - 0.25} \) , which uses the ( G , V ) results from the HTS_FD model was developed and validated against experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of Urban Heat Island and Global Warming Countermeasures on Heat Release and Carbon Dioxide Emissions from a Detached House

Urban air temperature rises induced by the urban heat island (UHIE) effect or by global warming (GW) can be beneficial in winter but detrimental in summer. The SCIENCE-Outdoor model was used to simulate changes to sensible heat release and CO 2 emissions from buildings yielded by four UHIE countermeasures and five GW countermeasures. This model can evaluate the thermal condition of building envelope surfaces, both inside and outside. The results showed that water-consuming UHIE countermeasures such as evaporative space cooling and roof water showering provided positive effects (decreasing sensible heat release and CO 2 emissions related to space conditioning) in summer. Additionally, they had no negative (unwanted cooling) effects in winter since they can be turned off in the heating season. Roof greening can provide the greatest space- conditioning CO 2 emissions reductions among four UHIE countermeasures, and it reduces the amount of heat release slightly in the heating season. Since the effect on reducing carbon dioxide (CO 2 ) emissions by UHIE countermeasures is not very significant, it is desirable to introduce GW countermeasures in order to reduce CO 2 emissions. The significance of this study is that it constructed the new simulation model SCIENCE-Outdoor and applied it to show the influence of countermeasures upon both heat release and CO 2 emissions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Zero Liquid Discharge (ZLD) System for Flue-Gas Derived Water From Oxy-Combustion Process

Researchers at the National Energy Technology Laboratory (NETL) located in Albany, Oregon, have patented a process - Integrated Pollutant Removal (IPR) that uses off-the-shelf technology to produce a sequestration ready CO{sub 2} stream from an oxy-combustion power plant. Capturing CO{sub 2} from fossil-fuel combustion generates a significant water product which can be tapped for use in the power plant and its peripherals. Water condensed in the IPR{reg_sign} process may contain fly ash particles, sodium (from pH control), and sulfur species, as well as heavy metals, cations and anions. NETL is developing a treatment approach for zero liquid discharge while maximizing available heat from IPR. Current treatment-process steps being studied are flocculation/coagulation, for removal of cations and fine particles, and reverse osmosis, for anion removal as well as for scavenging the remaining cations. After reverse osmosis process steps, thermal evaporation and crystallization steps will be carried out in order to build the whole zero liquid discharge (ZLD) system for flue-gas condensed wastewater. Gypsum is the major product from crystallization process. Fast, in-line treatment of water for re-use in IPR seems to be one practical step for minimizing water treatment requirements for CO{sub 2} capture. The results obtained from above experiments are being used to build water treatment models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Numerical simulations of membrane distillation systems with actively heated membranes

Membrane distillation (MD) is a thermal desalination process that is gaining attention for treating hypersaline brines. One recent approach uses composite membranes with a thermally conductive layer that delivers heat to the membrane–feed interface, where it drives evaporation. Though this increases single-pass recovery, it comes with the challenge of promoting lateral heat conduction through the thin membrane. Herein, we develop a 3D, computational fluid dynamics (CFD) model that simulates conjugate heat, mass, and momentum transport in the feed channel and composite membrane. We then use the CFD to verify a simpler numerical model that approximates the feed velocity field analytically. We validate the numerical model experimentally, and use it to investigate the impacts of the conductive layer thickness, feed channel geometry, and operating conditions on temperature and concentration polarization, permeate production, and specific energy consumption. Overall, we find that lateral heating increases permeate production at the expense of increased concentration polarization. In extreme cases, the concentration increases more than four-fold along the membrane surface. Furthermore, we show however, that the feed flow rate and conductive layer thickness can be tailored to mitigate concentration polarization, for only a small reduction in permeate production.

42 ENGINEERING↗
DOE OSTI2025

Sockeye Code Validation Against UNIST Heat Pipe - Poster - Internship 2025

Sockeye is an engineering level code being developed under the MOOSE framework for modeling heat pipes. A heat pipe is a sealed tube with a wick structure filled with a working fluid that transfers heat efficiently and passively via phase change of the working fluid. Heat applied to the evaporator end creates a pressure gradient which causes vapor to migrate to the condenser end where the vapor deposits its energy and condenses. Capillary force generated by the wick structure then draws the liquid back to the evaporator. A validation study was performed to compare the Sockeye code against data produced at the Ulsan National Institute of Standards and Technology for a slightly overfilled sodium heat pipe. The heat pipe was operated under natural convection cooling and a decreasing inactive length was observed. The experiment was modeled in Sockeye using the condenser pool model, the front non-condensable gas (NCG) model, and the mixture NCG model separately to reproduce the inactive length phenomenon. Also, a new capability was implemented in MOOSE to allow for conjugate heat transfer from the condenser based on the Churchill-Chu correlation for natural convection. The condenser pool model showed an increasing inactive length, demonstrating that the behavior was likely not caused by a pool of excess liquid. The front NCG model was able to show good agreement with the experiment, but it suffered convergence issues at the front. Finally, the mixture NCG model gave good results when the axial mesh was sufficiently refined. This work culminated in additions to the Sockeye documentation and a contribution to a journal article that will be published later. This poster is a summary of my work which I can take back to my university for presentation.

42 - ENGINEERING↗