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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Simulation of Heterogeneous Atom Probe Tip Shape Evolution during Field Evaporation Using a Level Set Method and Different Evaporation Models

Accurate reconstruction of spatial positions of field evaporated ions from detector patterns depends on a correct understanding of the tip shape evolution and evaporation laws of component atoms. Reconstruction artifacts introduced in the heterogeneous tip can be contributed by the assumption on homogeneous evaporation behavior. A level set method based specimen shape evolution model is developed in this study to simulate the evaporation of synthetic layered-structured atom probe tip. The simulation results of the shape evolution by the present level set model agree well with the literature data using other numerical approaches, i.e. finite difference method. The asymmetric evolving shape predicted by the level set model demonstrates that the complex evaporation behavior of heterogeneous tips and interface curvature can potentially lead to the tip reconstruction distortion. Compared with other shape evaporation methods the new method provides considerably higher resolution and computational efficiency with the aid of the intrinsic subgrid scale accuracy.

atom probe tomography, field evaporation, tip shap↗
DOE OSTI2021

Suspended Membrane Evaporators Integrating Environmental and Solar Evaporation for Oily Wastewater Purification

Solar-driven evaporation is promising in oily wastewater treatment, in particular for emulsions, but conventional evaporators suffer from pore blocking by residual oil or contamination by volatile oil compounds in the condensed water. In the current research, we develop a suspended membrane evaporator integrating solar evaporation with oil-in-water emulsion separation. The heating and evaporating interface is separated from the rejecting interface to avoid oil escape and improve heat management. A temperature gradient forms on the membrane surface that can promote evaporation performance by combining both solar and environmental evaporation. Such an evaporator achieves a maximum evaporation rate of 1.645 kg/(m 2 ·h) as well as an apparent evaporation efficiency of 111.9%. Moreover, the superhydrophilic and superoleophobic membrane shows excellent oil repellence and emulsion rejection, which can achieve an oil removal efficiency above 98.8% in oil-in-water emulsion separation, and high evaporation rate recovery in cycling tests. Furthermore, a scaled-up membrane evaporator array produces ~8 kg/(m 2 ·d) of clean water from oily wastewater in outdoor experiments, further demonstrating the strong purification performance of this evaporator in oily wastewater treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Droplet Evaporation on Hot Micro-Structured Superhydrophobic Surfaces: Analysis of Evaporation from Droplet Cap and Base Surfaces

In this study, evaporation of sessile water droplets on hot micro-structured superhydrophobic surfaces is experimentally and theoretically investigated. Water droplets of 4 µL are placed on micro-pillared silicon substrates with the substrate temperature heated up to 120°C. A comprehensive thermal circuit model is developed to analyze the effects of substrate roughness and substrate temperature on the sessile droplet evaporation. For the first time, two components of heat and mass transfer, i.e., one from the droplet cap surface and the other from the droplet base surface, during droplet evaporation are distinguished and systematically studied. As such, the evaporation heat transfer rates from both the droplet cap surface and the interstitial liquid-vapor interface between micropillars at the droplet base are calculated in various conditions. For droplet evaporation on the heated substrates in the range of 40°C – 80°C, the predicted droplet cap temperature matches well with the experimental results. Furthermore, during the constant contact radius mode of droplet evaporation, the decrease of evaporation rate from the droplet base contributes most to the continuously decreasing overall evaporation heat transfer rate, whereas the decrease of evaporation rate from the droplet cap surface is dominant in the constant contact angle mode. The influence of internal fluid flow is considered for droplet evaporation on substrates heated above 100°C, and an effective thermal conductivity is adopted as a correction factor to account for the effect of convection heat transfer inside the droplet. Temperature differences between the droplet base and the substrate base are estimated to be about 2°C, 5°C, 8°C, 13°C and 18°C for droplet evaporation on substrates heated at 40°C, 60°C, 80°C, 100°C, and 120°C, respectively, elucidating the delayed or depressed boiling of water droplets on a heated rough surface due to evaporative cooling.

42 ENGINEERING↗
DOE OSTI2016

Evaporative thermal resistance and its influence on microlayer evaporation

The ability to predict various aspects of boiling is important for both safety and design of water-cooled reactors. Component-scale modelling is necessarily done by semi-mechanistic, semi-empirical approaches, generally based on heat flux partitioning. This needs to be informed by multiple detailed experimental observations of boiling behavior. Such measurements are difficult to make, and much effort is being applied to microscopic computational modelling of the detailed boiling process. Aims of such activities include the mechanistic prediction of growth and detachment of one bubble during nucleate boiling, and the quantification of the associated heat transfer partitioning (evaporation, micro-convection, quenching). We here study a subset of the full problem, and focus on the thermal response of the boiling substrate to the early growth of a single vapour bubble during pool boiling of water at atmospheric pressure. In such conditions, a thin liquid film ('microlayer') is left behind beneath the bubble as this expands. The microlayer evaporates due to the temperature difference between the solid-liquid and vapour-liquid interface. Its thickness being small, of order of microns, the local evaporation rate per unit area of bubble base can be high, up to one kilogram per second. Microlayer evaporation can therefore be important in early stages of bubble growth. In this contribution, thermal response of the boiling substrate to microlayer evaporation is studied with a two-dimensional, axisymmetric transient conduction model, coupled with an algebraic sub-model of the liquid film. The flow of heat through the microlayer is modelled as conduction in the liquid and with a pseudo-convective 'evaporative' heat transfer coefficient at the liquid-vapor interface, accounting for the interface superheat driving the evaporation process. Thermal coupling (conjugate heat transfer) between microlayer and solid substrate is obtained with a time dependent non-homogeneous Neumann boundary condition, derived from the algebraic microlayer sub-model and applied at the top surface of the solid computational domain. The thermal resistance associated to the evaporative heat transfer mechanism is shown to depend on a highly uncertain parameter, termed an 'evaporation coefficient'. After some exploratory calculations of the likely importance of the evaporative resistance in the present context, the model is employed to interpret some recent microlayer measurements. Satisfactory agreement between computed and measured evolution of the microlayer profile is obtained if small values (between 0.01 and 0.10) of the evaporation coefficient are used. The order of magnitude of the predicted evaporation rate from the microlayer is consistent with experimental observations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

A simple technique to reduce evaporation of crystallization droplets by using plate lids with apertures for adding liquids

This article describes the use of evaporation control lids that are fitted to crystallization plates to improve the reproducibility of trials using as little as 5 nl. The plate lids contain apertures which are large enough for the transfer of protein containing droplets, but small enough to greatly reduce the rate of evaporation during the time needed to prepare the plate. A method is described for using plate lids to reduce evaporation in low-volume vapor-diffusion crystallization experiments. The plate lids contain apertures through which the protein and precipitants were added to different crystallization microplates (the reservoir was filled before fitting the lids). Plate lids were designed for each of these commonly used crystallization microplates. This system minimizes the dehydration of crystallization droplets containing just a few nanolitres of protein and precipitant, and results in more reproducible diffraction from the crystals. For each lid design, changes in the weight of the plates were used to deduce the rate of evaporation under different conditions of temperature, air movement, droplet size and precipitant. For comparison, the state of dehydration was also visually assessed throughout the experiment. Finally, X-ray diffraction methods were used to compare the diffraction of protein crystals that were conventionally prepared against those that were prepared on plates with plate lids. The measurements revealed that the plate lids reduced the rate of evaporation by 63–82%. Crystals grown in 5 nl drops that were set up with plate lids diffracted to higher resolution than similar crystals from drops that were set up without plate lids. The results demonstrate that plate lids can be instrumental for improving few-nanolitre crystallizations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Role of convective mixing and evaporative cooling in shallow convection: Convective Mixing and Evaporative Cooling

Large-eddy simulations of shallow convection are used to evaluate the role of convective mixing and evaporative cooling in the vertical transport of mass, heat, and moisture in nonprecipitating shallow convection. Evaporative cooling is found to increase mass flux and the magnitude of heat and moisture fluxes, comparing twin large-eddy simulations with either suppressed or active evaporative cooling. Nonetheless, subsiding shells transport mass downward even when evaporative cooling is suppressed, emphasizing that evaporative cooling is not the primary cause of existence of subsiding shells and accompanied buoyancy reversal. Instead, vertical convective mixing is found to be the primary reason of buoyancy reversal. Evaporative cooling yet accelerates downdrafts (updrafts) in the shell (cloudy) regions as well as increases the cloud cover in the lower cloud layer. The cloudy regions are more humid, and the liquid water potential temperature is lower compared to the evaporative-cooling-suppressed experiment. The primary effect of evaporative cooling is thus to increase the updraft core anomalies, thus enhancing vertical turbulent fluxes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Vegetation and location of water inflow affect evaporation in a subtropical wetland as indicated by the deuterium excess method: Evaporation Effects Indicated by Deuterium Excess Method

Evaporation represents a principal form of water loss from water bodies, but quantifying evaporation with transpiring vegetation is challenging, owing to the difficulties in disentangling evaporation from transpiration. As the two processes have different effects on water isotope signatures (i.e., oxygen and hydrogen stable isotope ratios expressed by δ 18 O and δ 2 H), we used both the δ 18 O and δ 2 H values of water samples to calculate their deuterium excess (d) values, which are proportionate to fraction of evaporation loss (E f ) of water being sampled. Comparing with a single isotope method, the d method holds the advantage that it does not require knowledge of the initial isotope ratios of source water. Limitations of the d method, for example, effects of prior-evaporation of water before entering water bodies, can be checked and corrected. The sampling locations throughout our study site differed in vegetation coverage, water depth, and distance to water inflow (or discharge gate of water inflow), which are three important factors in water management. This sampling design offered us a unique opportunity to quantify the influences of the above three factors on E f . We found the following: (1) There was a spatiotemporal pattern in δ 18 O distribution. (2) The E f was negatively related to the vegetation coverage, positively related to distance to the water source inflow but nonsignificantly related to water depth. Therefore, vegetation and distance to the water inflow are two important considerations for the control of evaporative water loss, and evaporation calculated by the d method can lead to more informed water management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Model of temperature, evaporation, and productivity in elevated experimental algae raceways and comparison with commercial raceways

Elevated Experimental Raceways (EERs) have been used at many research sites in the United States to evaluate algal biomass productivity. This paper develops temperature and evaporation models for EERs and then evaluates whether the temperature profile and resultant productivity in an EER is representative of large-scale commercial raceways. Open water surface evaporation and temperature models with shading algorithms were programmed in Python and calibrated with temperature and evaporation data from the EERs in the Regional Algal Feedstock Testbed (RAFT) experiments at the University of Arizona. The final calibrated model for EERs was named the EERTEM (Elevated Experimental Raceway Temperature and Evaporation Model). The energy balance algorithms in the Biomass Assessment Tool (BAT model) were also added to the Python code and used to develop temperature simulations of standard commercial paddlewheel raceways. A comparison of BAT and EERTEM simulations indicated that EER temperature fluctuations are not representative of in ground commercial paddlewheel raceways, primarily due to the buffering effect of soil heat flux in commercial raceways. With the different temperature profiles, biomass productivities of three algae species in the EERs were compared to productivities in commercial raceways. Differences in productivity between EERTEM and BAT model temperature profiles were observed when the maximum daytime temperature of one raceway was in the optimal growth range but the temperature of the other raceway exceeded or was below the optimal growth range.

Khawam, George↗
DOE OSTI2018

Inferring the source of evaporated waters using stable H and O isotopes

Stable isotope ratios of H and O are widely used to identify the source of water, e.g., in aquifers, river runoff, soils, plant xylem, and plant-based beverages. In situations where the sampled water is partially evaporated, its isotope values will have evolved along an evaporation line (EL) in δ 2 H/δ 18 O space, and back-correction along the EL to its intersection with a meteoric water line (MWL) has been used to estimate the source water’s isotope ratios. Here, we review the theory underlying isotopic estimation of source water for evaporated samples (iSW E ). We note potential for bias from a commonly used regression-based approach for EL slope estimation and suggest that a model-based approach may be preferable if assumptions of the regression approach are not valid. We then introduce a mathematical framework that eliminates the need to explicitly estimate the EL–MWL intersection, simplifying iSW E analysis and facilitating more rigorous uncertainty estimation. We apply this approach to data from the US EPA's 2007 National Lakes Assessment. We find that data for most lakes are consistent with a water source similar to annual runoff, estimated from monthly precipitation and evaporation within the lake basin. Strong evidence for both summer- and winter-biased sources exists, however, with winter bias pervasive in most snow-prone regions. Furthermore, the new analytical framework should improve the rigor of iSW E in ecohydrology and related sciences, and our initial results from US lakes suggest that previous interpretations of lakes as unbiased isotope integrators may only be valid in certain climate regimes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Effects of the local structure dependence of evaporation fields on field evaporation behavior

Accurate three dimensional reconstructions of atomic positions and full quantification of the information contained in atom probe microscopy data rely on understanding the physical processes taking place during field evaporation of atoms from needle-shaped specimens. However, the modeling framework for atom probe microscopy has only limited quantitative justification. Building on the continuum field models previously developed, we introduce a more physical approach with the selection of evaporation events based on density functional theory calculations. This model reproduces key features observed experimentally in terms of sequence of evaporation, evaporation maps, and depth resolution, and provides insights into the physical limit for spatial resolution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Precipitation mediates sap flux sensitivity to evaporative demand in the neotropics

Transpiration in humid tropical forests modulates the global water cycle and is a key driver of climate regulation. Yet, our understanding of how tropical trees regulate sap flux in response to climate variability remain elusive. With a progressively warming climate, atmospheric evaporative demand (i.e., vapor pressure deficit, VPD) will be increasingly important for plant functioning, becoming the major control of plant water use in the 21st century. Using measurements in 34 tree species at seven sites across a precipitation gradient in the neotropics, we determined how the maximum sap flux velocity (vmax) and the VPD threshold at which vmax is reached (VPDmax) vary with precipitation regime (long-term annual precipitation, MAP; seasonal drought intensity, PDRY) and two functional traits related to foliar and wood economics spectra (leaf mass per area, LMA; wood specific gravity, WSG). We show that, even though vmax is highly variable within sites, it follows a negative trend in response to increasing MAP and PDRY across sites. LMA and WSG exerted little effect on vmax and VPDmax, suggesting that these widely-used integrative traits provide limited explanatory power of dynamic plant responses to environmental variation within hyper-diverse forests. This study demonstrates that long-term precipitation plays an important role in the sap flux response of humid tropical forests to VPD. Our findings suggest that under higher evaporative demand, trees growing in wetter environments in humid tropical regions may be subjected to reduced water exchange with the atmosphere relative to trees growing in drier climates.

Grossiord, Charlotte↗
DOE OSTI2025

Direct Prelithiation of Silicon-Based Composite Electrodes via Island-like Thermal Evaporation

Irreversible losses of Li during solid electrolyte interface (SEI) conditioning is a key contributor to the lower specific capacities observed in silicon-containing Li-ion batteries. Herein, thermal evaporation of between 1 and 20 µm of Li onto Si-based composite anodes has been investigated as a prelithiation method to account for such losses. To account for mechanical strain caused by Li-Si alloying during the deposition, a stainless-steel mesh is applied to the electrodes before prelithiation to form “island-like” deposition on the electrode surface. The open circuit potential was also found to decrease as a function of increased Li evaporation, consistent with the potentials of electrochemically prepared LixSi alloys. Prelithiating to account for irreversible Li losses to SEI formation resulted in full cells with a 15.8% increase in initial coulombic efficiency and a 47.8% reduction in irreversible capacity loss after SEI formation cycling. Subsequent C/3 cycling showed up to a 62.9% increase in specific capacity in prelithiated cells. X-ray photoelectron spectroscopy (XPS) revealed differences in the SEI composition that was formed by electrochemical cycling and reactively formed in prelithiated cells upon exposure to Gen2 + 3% FEC electrolyte. The reactively formed SEI from the spontaneous reaction with lithiated silicon was carbonate-rich while the electrochemical SEI formation showed significantly more LiPFx species, which could play a role in overall cycling performance.

Musgrove, Amanda↗
DOE OSTI2020

A model for droplet heating and evaporation of water-in-oil emulsified fuel

Water-in-oil (W/O) emulsified fuel is a promising alternative fuel by inducing flash boiling of water at high temperature that can improve the atomization of fuel spray. The heating and evaporation process of emulsified fuel droplet is affected by the diffusion and coalescence of small dispersed water droplets in oil during the heating. In this study, a model is developed for the droplet heating and evaporation of W/O emulsified fuel with these key physics considered. The diffusivity of dispersed water droplets in oil is calculated using the Stokes-Einstein equation. The deactivation temperature of surfactant is selected as a criterion for the water coalescence since the water coalescence is due to the deactivation of surfactant. The process of water coalescence is simplified that the dispersed water droplets coalesce into one single water sub-droplet at the center of the oil droplet instantly as the droplet temperature reaches the deactivation temperature of surfactant. The model is validated against experimental data of single droplet under different heating temperatures, surfactant concentrations, and sizes of dispersed water droplets. Based on the proposed model, the effects of fuel properties and heating conditions on the droplet heating and evaporation are analyzed.

Droplet coalescence↗
DOE OSTI2020

Synthesis of porous organic cage CC3 via solvent modulated evaporation

We demonstrate a Humidity Modulated Solvent Evaporation (HMSE) approach to promote the nucleation and growth of CC3 crystals. This approach relies on the gradual evaporation of dichloromethane (solvent) from a diluted concentration of CC3 precursors deposited on aluminum foil. The slow solvent evaporation allowed enough time for the organization and formation of CC3 porous organic cage. The solvent diffusion rate was modulated by the relative humidity in the system. The slow kinetics implied during the development of CC3 phase, allowed the formation of CC3 crystals. HRTEM, SAED, SEM, and XRD patterns were used as pivotal characterization techniques to follow and confirm the formation of CC3 crystals.

porous organic cages, modulated evaporation, cryst↗
DOE OSTI2012

Phase identification and control of thin films deposited by co-evaporation of elemental Cu, Zn, Sn, and Se

Kesterite thin films [(i.e., Cu{sub 2}ZnSn(S,Se){sub 4} and related alloys] have been the subject of recent interest for use as an absorber layer for thin film photovoltaics due to their high absorption coefficient (>10{sup 4} cm{sup -1}), their similarity to successful chalcopyrites (like CuInxGa{sub 1-x}Se{sub 2}) in structure, and their earth-abundance. The process window for growing a single-phase kesterite film is narrow. In this work, we have documented, for our 9.15%-efficient kesterite co-evaporation process, (1) how appearance of certain undesirable phases are controlled via choice of processing conditions, (2) several techniques for identification of phases in these films with resolution adequate to discern changes that are important to device performance, and (3) reference measurements for those performing such phase identification. Data from x-ray diffraction, x-ray fluorescence, Raman scattering, scanning electron microscopy, energy dispersive spectroscopy, and current-voltage characterization are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Analysis of Tank 30H (HTF-30-18-54, -55), Tank 32H (HTF-32-18-56, -57), and Tank 37H (HTF-37-18-58, -59) Samples for Support of the Evaporator Feed Qualification and Corrosion Control Programs for the 3H-Evaporator

SRNL analyzed samples from Tank 30H, Tank 32H, and Tank 37H to support the Evaporator Feed Qualification and Corrosion Control Programs for the 3H-Evaporator system. The six samples from Tanks 30H, 32H, and 37H all contain highly concentrated salt solution s with sodium concentrations ranging from 7.89 M to 15.0 M. The samples from Tank 30H show small differences in the concentrations of the major cations and anions between the surface sample and VDS. The two Tank 32H samples show significant differences in the concentrations of the major anions and cations with the VDS being nearly twice as concentrated as the surface sample. The surface sample and VDS from Tank 37H contain very similar compositions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗