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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 163 records · Page 9

A comparison of molecular dynamics and diffuse interface model predictions of Lennard-Jones fluid evaporation

The unsteady evaporation of a thin planar liquid film is studied by molecular dynamics simulations of Lennard-Jones fluid. The obtained results are compared with the predictions of a diffuse interface model in which capillary Korteweg contributions are added to hydrodynamic equations, in order to obtain a unified description of the liquid bulk, liquid-vapor interface and vapor region. Particular care has been taken in constructing a diffuse interface model matching the thermodynamic and transport properties of the Lennard-Jones fluid. The comparison of diffuse interface model and molecular dynamics results shows that, although good agreement is obtained in equilibrium conditions, remarkable deviations of diffuse interface model predictions from the reference molecular dynamics results are observed in the simulation of liquid film evaporation. It is also observed that molecular dynamics results are in good agreement with preliminary results obtained from a composite model which describes the liquid film by a standard hydrodynamic model and the vapor by the Boltzmann equation. The two mathematical model models are connected by kinetic boundary conditions assuming unit evaporation coefficient.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

PhaseChange Material Freezing in an Energy Storage Module for a Micro Environmental ControlSystem

This study analyzes phase change material (PCM) freezing process in a novel latent heat storage device (LHSD). Heat is removed from the PCM with an embedded evaporator. A mathematical model of freezing in a finite-thickness PCM slab is presented. An experimentally validated reduced-order model (ROM) based on the mathematical model was developed to analyze the heat transfer between the freezing PCM and an evaporating refrigerant flowing inside a flat, microchannel tube coil embedded in the PCM. A detailed finite element model (FEM) of the same device was also developed and employed to verify the validity of the ROM over a wider range of conditions. The freezing times and total “cooling” stored in the PCM computed by the ROM agree very well with those computed by the detailed FEM. The ROM executes in ~1 min for a full heat exchanger, compared with more than 10 h for the FEM, making the former much more practical for use in parametric analysis and optimization of design alternatives.

Engineering↗

Isothermal evaporation of a-pinene ozonolysis SOA: volatility, phase state, and oligomeric composition

We present measurements of the isothermal evaporation of a-pinene ozonolysis secondary organic aerosol (SOA). Using a novel, filter-based method, we replicate previous findings of the volume fraction remaining, presented here as carbon number weighted signal fraction remaining (SFR), as a function of evaporation time. We apply two detailed physical models to interpret the evaporative behavior of both the bulk SOA and individual components. Both models find that a combination of effectively non-volatile products, together with reversible oligomers (or otherwise reactive monomers) having a decomposition lifetime of 9 to 28 hours, best explains the evolution of composition and volatility as particles age in the absence of both organic vapors and oxidants, even under an assumption of relatively viscous (soft wax-like) particles. We find that the residence time in the SOA formation chamber, and time spent undergoing isothermal evaporation, both indicative of the physical age of the aerosol, are the most important experimental parameter determining the evaporation rate. The evolution of volatility observed in these experiments is compared to field measurements in a boreal forest site. The ambient monoterpene-dominated SOA volatility is only reproduced in the laboratory after 24 hours of extended aging in a dilute, dark, oxidant-free environment.

D'Ambro, Emma↗

Deposition Modeling Updates for a Vertical System

This report provides deposition modeling updates and results for a vertical spent nuclear fuel (SNF) storage system. The vertical storage system was the NAC International’s Modular, Advanced Generation, Nuclear All-purpose STORage System (MAGNASTOR®). The updates to the model included running a turbulent model sensitivity study and incorporating droplet evaporation into the deposition model for the MAGNASTOR®. In addition to the updates to the vertical MAGNASTOR system this report discusses the topic of particle resuspension and future work related to looking at resuspension in both a vertical and horizontal storage system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterizing and improving the performance of molten-salt-steam heat exchangers in concentrating solar power plants

Shell-and-tube heat exchangers (HXs) for steam generation from molten salts in concentrating solar power (CSP) plants experience thermal fatigue due to significant temperature gradients and inherent transient operation. Molten salt-steam HX design lifespans exceed actual lifespans, and, as a consequence, designers overpredict plant profitability and operators neglect appropriate prescriptions to optimize these lifetimes. Here, this study refines HX lifespan estimates with data benchmarked against thermal-fluid mechanical modeling of stress and accumulated fatigue. Reduced-order thermal models of the molten salt-steam, shell-and-tube evaporator and superheater predict transient temperature profiles along the two HXs salt-steam flow paths. The modeled evaporator and superheater temperature profiles enable assessment of cyclic stresses within the HX tubesheets, where molten-salt HX failures are most common. Evaporator and superheater performance data from a current 110 MW elec commercial CSP plant provide a basis for validating the reduced-order HX models. HX life predictions derived from stochastic failure distributions serve as inputs for simulating and optimizing existing plant operations. The impact of the updated lifespans on overall plant revenue depends on operating scenarios. This study suggests that typical ramping rates for a CSP plant with a high-temperature Rankine cycle result in an evaporator and superheater life of approximately 10 and 25 years, respectively, compared to the design target of 30 years. Reduced HX lifespans decrease operational plant revenue on average by 4.6-5.1%. Furthermore, there may be as many as four HX replacements over the 30-year lifetime of the plant; and, purchase agreement loss due to failure to meet contractual production requirements can have ramifications that include the risk of bankruptcy.

14 SOLAR ENERGY↗

Modeling crud attachment on fuel surfaces - Role of interaction forces

Crud deposition is one of the major cause of fuel failures in PWRs operating in U.S. and around the world. Various experimental and computational studies have tried to relate thickness or amount of crud deposits to evaporative flux maps. Macroscopic models relating evaporation rate to deposition rate and the total amount of deposit, do not take into account shape of deposition patterns, interaction mechanisms between the crud particles and interactions between crud particles and substrate (in this case fuel surface). However, experimentally it is observed that there is spatiotemporal variation in the porosity and structure of crud layer deposits. It is also important to note that the deposition kinetics and the amount of deposits is highly dependent upon local or global chemistry which impact the interactions between particles and surfaces, and eventually effect attachment probability. The focus of this summary will be to present a model to describe the crud attachment kinetics on a fuel surface. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Simulation of evapotranspiration and yield of maize: An inter-comparison among 41 maize models

Accurate simulation of crop water use (evapotranspiration, ET) can help crop growth models to assess the likely effects of climate change on future crop productivity, as well as being an aid for irrigation scheduling for today's growers. To determine how well maize (Zea mays L.) growth models can simulate ET, an initial inter-comparison study was conducted in 2019 under the umbrella of AgMIP (Agricultural Model Inter-Comparison and Improvement Project). Herein, we present results of a second inter-comparison study of 41 maize models that was conducted using more comprehensive datasets from two additional sites - Mead, Nebraska, USA and Bushland, Texas, USA. There were 20 treatment-years with varying irrigation levels over multiple seasons at both sites. ET was measured using eddy covariance at Mead and using large weighing lysimeters at Bushland. A wide range in ET rates was simulated among the models, yet several generally were able to simulate ET rates adequately. The ensemble median values were generally close to the observations, but a few of the models sometimes performed better than the median. Many of the models that did well at simulating ET for the Mead site did poorly for drier, windy days at the Bushland site, suggesting they need to improve how they handle humidity and wind. Additional variability came from the approaches used to simulate soil water evaporation. Fortunately, several models were identified that did well at simulating soil water evaporation, canopy transpiration, biomass accumulation, and grain yield. These models were older and have been widely used, which suggests that a larger number of users have tested these models over a wider range of conditions leading to their improvement. These revelations of the better approaches are leading to model improvements and more accurate simulations of ET.

60 APPLIED LIFE SCIENCES↗

Surface Crust Formation Controls Evaporation Kinetics of Secondary Organic Aerosols

Gas-particle partitioning is critical for the evolution of secondary organic aerosols (SOA) in the atmosphere. SOA particles evaporate more slowly than expected at nearly size-independent rates, but the underlying mechanism remains controversial. Here, in this study, we apply kinetic multilayer modeling to simulate evaporation of α-pinene SOA, demonstrating that surface crust formation, emerging from accumulation of low-volatility compounds at the particle surface, leads to slow evaporation and reduced size dependence of the evaporation rate. While evaporation induced by decomposition of oligomers would naturally lead to size-independent evaporation rates, we observe and simulate nearly size-independent slow evaporation of polyethylene glycol mixture particles containing polymeric species that do not decompose, confirming the relevance of composition-dependent diffusivity for size-independent, slow evaporation. Slow evaporation of limonene SOA was also observed in environmental chamber experiments, and model simulations demonstrate strong surface crust formation with bulk diffusivity being depressed by up to 5 orders of magnitude compared to the inner bulk. We present experimental evidence using a surface-based mass spectrometry technique that shows that the particle surface becomes enriched in high molecular weight compounds upon evaporation of monomers. Our findings imply that viscous surface crusts may also limit the growth and chemical transformation of SOA particles, influencing their impacts on air quality and climate.

heterogeneous chemistry↗

Droplet Evaporation-Based Approach for Microliter Fuel Property Measurements

Small-volume, high-throughput screening techniques are sought to enable downselection from a large candidate pool of bio-blendstocks to a select few, having physical properties consistent with requirements of downsized, turbo-boosted internal combustion engines. Herein, this work presents a droplet evaporation-based approach to predict heat of vaporization, vapor pressure, diffusion coefficient, and Lennard–Jones parameters for an unknown fuel. Two different schemes, considering the isothermal evaporation of a moving droplet in ambient air, are proposed, which combine droplet velocity and temperature measurements, with some known properties to predict unknown properties. The schemes utilize an inverse solution of a transient model of droplet evaporation solved in an iterative fashion. A baseline scheme, which only requires droplet size change measurements, is evaluated using test data for three liquid fuels, comprising of alkanes and alcohols, as obtained in a temperature-controlled chamber. Results yield temperature-dependent heat of vaporization and vapor pressure predictions within 10 % and 22 %, respectively, of reference values. The advanced scheme, which additionally requires droplet temperature measurement, is numerically evaluated in the current work and will be experimentally validated in future efforts. The advanced scheme is found to significantly improve prediction quality, with deviations less than 2 % and 1 % for heat of vaporization and vapor pressure, while also predicting diffusion coefficient and Lennard–Jones parameters within 5 % and 8 %, respectively. The combined set of approaches, which primarily track droplet evaporation, can be incorporated into a small-volume, high-throughput fuel screening process.

09 BIOMASS FUELS↗

The Evaporation and Survival of Cluster Galaxy Coronae. I. The Effectiveness of Isotropic Thermal Conduction Including Saturation

We simulate the evolution of cluster galaxy hot interstellar medium (ISM) gas that is a result of the effects of ram pressure and thermal conduction in the intracluster medium (ICM). At the density and temperature of the ICM, the mean free paths of ICM electrons are comparable to the sizes of galaxies, therefore electrons can efficiently transport heat that is due to thermal conduction from the hot ICM to the cooler ISM. Galaxies consisting of dark matter halos and hot gas coronae are embedded in an ICM-like “wind tunnel” in our simulations. In this paper, we assume that thermal conduction is isotropic and include the effects of saturation. We find that as heat is transferred from the ICM to the ISM, the cooler denser ISM expands and evaporates. This process is significantly faster than gas loss due to ram pressure stripping; for our standard model galaxy, the evaporation time is 160 Myr, while the ram pressure stripping timescale is 2.5 Gyr. Thermal conduction also suppresses the formation of shear instabilities, and there are no stripped ISM tails since the ISM evaporates before tails can form. Observations of long-lived X-ray emitting coronae and ram pressure stripped X-ray tails in galaxies in group and cluster environments therefore require that thermal conduction is suppressed or offset by some additional physical process. The most likely process is anisotropic thermal conduction that is due to magnetic fields in the ISM and ICM, which we simulate and study in the next paper in this series.

79 ASTRONOMY AND ASTROPHYSICS↗

How Much Water Is Evaporated Across California? A Multiyear Assessment Using a Biophysical Model Forced With Satellite Remote Sensing Data

Abstract California is expected to experience great spatial/temporal variations evaporation. These variations arise from strong north‐south, east‐west gradients in rainfall and vegetation, strong interannual variability in rainfall (±30%) and strong seasonal variability in the supply and demand for moisture. We used the Breathing Earth System Simulator to evaluate the rates and sums of evaporation across California, over the 2001–2017 period. Breathing Earth System Simulator is a bottom‐up, biophysical model that couples subroutines that calculate the surface energy balance, photosynthesis, and stomatal conductance. The model is forced with high‐resolution remote sensing data (1 km).The questions we address are as follows: How much water is evaporated across the natural and managed ecosystems of California? How much does evaporation vary during the booms and busts in annual rainfall? and Is evaporation increasing with time due to a warming climate? Mean annual evaporation, averaged over the 2001–2017 period, was relatively steady (393 ± 21 mm/year) given the high interannual variation in precipitation (519 ± 140 mm/year). No significant trend in evaporation at the statewide level was detected over this time period, despite a background of a warming climate. Irrigated agricultural crops and orchards, at 1‐km scale, use less water than inferred estimates for individual fields. This leaves the potential for sharing water, a scarce resource, more equitably among competing stakeholders, for example, farms, fish, people, and ecosystems.

Baldocchi, Dennis↗

MCNP6 High-energy Event Generators

This report presents a brief description of all high-energy event generators used by MCNP6, namely, of the intranuclear cascade models (INC); Fermi breakup models; coalescence models; preequilibrium nuclear reactions; evaporation reactions; and of the fission reaction models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Electroelastic investigation of drying rate in the direct contact ultrasonic fabric dewatering process

Ultrasonic vibrations, used to atomize liquids into a fine mist, are a promising solution for the future of efficient clothes drying technology. The world’s first ultrasonic dryer—demonstrated by researchers at Oak Ridge National Laboratory—successfully applies the scientific principles behind ultrasonic drying, and several working prototypes have been demonstrated. This technology is based on direct mechanical coupling between mesh piezoelectric transducers and wet fabric. During the atomization process, vertical oscillations of a contained liquid, called Faraday excitations, result in the formation of standing waves on the liquid surface. At increasing amplitudes and frequencies of oscillation, wave peaks become extended and form “necks” connecting small secondary droplets to the bulk liquid. When the oscillation reaches an acceleration threshold, the droplet momentum is sufficient to break the surface tension of the neck and enable the droplets to travel away from the liquid. In this work, we investigate the atomization process using an ultrasonic transducer as it pertains to moisture retained within a fabric. An experimentally validated electromechanical analytical-numerical model is proposed. This model bridges the vibrations of a piezoelectric mesh transducer to the critical acceleration needed for fabric drying to occur. Then, the drying rate model is developed, consisting of an initial nonlinear region due to atomization, followed by a linear thermal evaporation region. The models developed identify the influence of key parameters on ultrasonic drying and will aid in improving atomizer design for efficient, timely fabric drying. This study is the first proposed model for the ultrasonic atomization of fabrics saturated with water, applicable to any type of transducer. The results present a non-dimensional equation for the ultrasonic dewatering of fabrics, dependent only on transducer acceleration and the surface area of the cloth. Furthermore, the development of this technology using the proposed physical models will allow for global reductions in electrical demand related to clothes drying.

42 ENGINEERING↗

A purely kinetic description of the evaporation of water droplets

The process of water evaporation, although deeply studied, does not enjoy a kinetic description that captures known physics and can be integrated with other detailed processes such as drying of catalytic membranes embedded in vapor-fed devices and chemical reactions in aerosol whose volumes are changing dynamically. In this work, we present a simple, three-step kinetic model for water evaporation that is based on theory and validated by using well-established thermodynamic models of droplet size as a function of time, temperature, and relative humidity as well as data from time-resolved measurements of evaporating droplet size. Additionally, the kinetic mechanism for evaporation is a combination of two limiting processes occurring in the highly dynamic liquid-vapor interfacial region: direct first order desorption of a single water molecule and desorption resulting from a local fluctuation, described using third order kinetics. The model reproduces data over a range of relative humidities and temperatures only if the interface that separates bulk water from gas phase water has a finite width, consistent with previous experimental and theoretical studies. The influence of droplet cooling during rapid evaporation on the kinetics is discussed; discrepancies between the various models point to the need for additional experimental data to identify their origin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CHROMOSPHERIC EVAPORATION IN AN M1.8 FLARE OBSERVED BY THE EXTREME-ULTRAVIOLET IMAGING SPECTROMETER ON HINODE

We discuss observations of chromospheric evaporation for a complex flare that occurred on 2012 March 9 near 03:30 UT obtained from the Extreme-ultraviolet Imaging Spectrometer (EIS) on board the Hinode spacecraft. This was a multiple event with a strong energy input that reached the M1.8 class when observed by EIS. EIS was in raster mode and fortunately the slit was almost at the exact location of a significant energy input. Also, EIS obtained a full-CCD spectrum of the flare, i.e., the entire CCD was readout so that data were obtained for about the 500 lines identified in the EIS wavelength ranges. Chromospheric evaporation characterized by 150-200 km s{sup -1} upflows was observed in multiple locations in multi-million degree spectral lines of flare ions such as Fe XXII, Fe XXIII, and Fe XXIV, with simultaneous 20-60 km s{sup -1} upflows in million degree coronal lines from ions such as Fe XII-Fe XVI. The behavior of cooler, transition region ions such as O VI, Fe VIII, He II, and Fe X is more complex, but upflows were also observed in Fe VIII and Fe X lines. At a point close to strong energy input in space and time, the flare ions Fe XXII, Fe XXIII, and Fe XXIV reveal an isothermal source with a temperature close to 14 MK and no strong blueshifted components. At this location there is a strong downflow in cooler active region lines from ions such as Fe XIII and Fe XIV, on the order of 200 km s{sup -1}. We speculate that this downflow may be evidence of the downward shock produced by reconnection in the current sheet seen in MHD simulations. A sunquake also occurred near this location. Electron densities were obtained from density sensitive lines ratios from Fe XIII and Fe XIV. Atmospheric Imaging Assembly (AIA) observations from the Solar Dynamics Observatory are used with JHelioviewer to obtain a qualitative overview of the flare. However, AIA data are not presented in this paper. In summary, spectroscopic data from EIS are presented that can be used for predictive tests of models of chromospheric evaporation as envisaged in the Standard Flare Model.

79 ASTRONOMY AND ASTROPHYSICS↗