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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Numerical Analysis of Molten Pool Behavior and Spatter Formation with Evaporation During Selective Laser Melting of 316L Stainless Steel

During the selective laser-melting process, material evaporation and resultant spatter are common phenomena that bring about many defects. However, the underlying physical phenomena such as molten pool behavior and spatter formation, as evaporation occurred, are sparsely understood and difficult to observe during the process. Thus, a three–dimensional powder-scale model was established to investigate the thermal and flow behavior of the molten pool, the morphology evolution of the molten pool and keyhole, and the spatter formation with evaporation in the selective laser-melting processing of 316L stainless steel. Phase transitions and variations in interfacial force were taken into account in this model. The modified phase-field method was applied to trace the melt–gas interface. The results showed that keyhole formed in molten pool under recoil pressure, and that there were some differences in the temperature distribution and flow behavior inside and outside the keyhole. In addition, the dimension and surface morphology of the molten pool and keyhole depth altered and gradually stabilized during the process. Moreover, droplet spatter formation at rear of molten pool proceeded roughly as follows: the backward ejection of melt vapor would induce a depression in molten pool and a bump on the molten pool surface, the bump moved backward and subsequently a liquid column formed, then the liquid column formed a neck and gradually pinched off, resulting in the droplet spatter. Furthermore, the characteristic morphology of the scan track and dimension of the molten pool were obtained through experiments, which showed good agreement with the simulation results.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A comprehensive modeling of falling film evaporators subject to vapor flow, pass arrangements, and refrigerants

Improving the heat transfer performance of falling film evaporators is a crucial step for improving the energy efficiency of the heat pump or refrigeration systems. This study conducts a numerical investigation for the practical-scale falling film evaporator based on the epsilon–NTU method with an updated heat transfer correlation. The algorithm was validated with lab-scale and real-scale falling film evaporator experimental results, and the prediction reaches a mean absolute deviation of 12.5%. Here, the parametric study encompasses eight refrigerants: R-134a, R-410A, R-600a, R-717, R-1270, R-152a, R-1234yf, and R-1234ze(E). The results indicate that vaporization enthalpy of refrigerant is a key property in selecting an appropriate working fluid because it helps minimize severe heat transfer degradation caused by dry-out. Additionally, the vapor-flow–induced heat transfer degradation can be predicted using the critical Weber number. Furthermore, the trade-off between extending the tube length and increasing the number of tubes for heat transfer improvement is discussed. Finally, different two-pass arrangements show deviations of less than 4 %.

Dry-out↗
DOE OSTI2021

Chromium evaporation and oxidation characteristics of alumina-forming austenitic stainless steels for balance of plant applications in solid oxide fuel cells

The chromium (Cr) evaporation behavior of several different types of iron (Fe)-based AFA alloys and benchmark Cr 2 O 3 -forming Fe-based 310 and Ni-based 625 alloys was investigated for 500 h exposures at 800 °C to 900 °C in air with 10% H 2 O. The Cr evaporation rates from alumina-forming austenitic (AFA) alloys were ~5 to 35 times lower than that of the Cr 2 O 3 -forming alloys depending on alloy and temperature. The Cr evaporation behavior was correlated with extensive characterization of the chemistry and microstructure of the oxide scales, which also revealed a degree of quartz tube Si contamination during the test. As a result, long-term oxidation kinetics were also assessed at 800 to 1000 °C for up to 10,000 h in air with 10% H 2 O to provide further guidance for SOFC BOP component alloy selection.

08 HYDROGEN↗
DOE OSTI2024

CFD unified approach under Eulerian–Lagrangian framework for methanol and gasoline direct injection sprays in evaporative and flash boiling conditions

Innovative synthetic fuels for advanced propulsion systems, such as methanol and ammonia, and synthetic blended fuels (E00, E10, and E30), known for their high volatility, are often injected directly into combustion chambers. It follows that Eulerian–Lagrangian spray models need to accurately capture the spray collapse as a consequence of flash boiling onset and be capable of proficiently handling the preferential evaporation of multi-component fuels in evaporative scenarios. So, we performed the assessment of an Eulerian–Lagrangian CFD code for simulating methanol and E00 gasoline blend sprays in both early and late injection conditions involving flash boiling conditions and preferential evaporation. The adoption of an effervescent breakup model and of a non-equilibrium phase transition model for the discrete phase allows the adoption of a setup that is almost completely free from specific constant tuning, especially for what concerns the breakup model. We validated the simulations using experimental PLV maps of methanol and E00 sprays issued from the ECN Spray M injector. The results highlight a significantly different morphology of the methanol spray compared to the E00 one under late injection conditions. Under stratified combustion, low-volatile fuels are likely to be ignited first, and the flame propagates toward the high-volatile fuels. In conclusion, the spray collapse was also correctly reproduced, inducing the presence of a low-pressure zone and modifying the spray morphology.

E00↗
DOE OSTI2020

An implicit, sharp numerical treatment of viscous terms at arbitrarily shaped liquid-gas interfaces in evaporative flows

We report a novel methodology for accurate treatment of viscous terms in evaporation problems. The proposed scheme is an extension of the sharp viscous treatment of Kang et al. (2000) [7] to 3D phase change problems. To ensure accuracy and grid converging solutions, a new implicit approach to computing viscous fluxes across the phase interfaces is proposed, which was previously unavailable in fixed grid numerical schemes. Analytical relations were derived for the jump in velocity gradients across the 2D and 3D phase interfaces, an important constituent of the proposed scheme. The relations show a non-vanishing jump in the tangential gradients across the phase interface that are associated with evaporative flux and interfacial curvature. The proposed methodology demonstrated first order accuracy in canonical test cases. It is general and applicable to arbitrarily oriented interfaces, and can be readily implemented in existing evaporation flow solvers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Preparation of novel layer-stack hexagonal CdO micro-rods by a pre-oxidation and subsequent evaporation process

Graphical abstract: Layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared. - Highlights: • Novel hexagonal layer-stack structure CdO micro-rods were synthesized by a thermal evaporation method. • The pre-oxidation, vapor pressure and substrate nature play a key role on the formation of CdO rods. • The formation mechanism of CdO micro-rods was explained. - Abstract: Novel layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared by pre-oxidizing Cd granules and subsequent thermal oxidation under normal atmospheric pressure. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were performed to characterize the phase structure and microstructure. The pre-oxidation process, vapor pressure and substrate nature were the key factors for the formation of CdO micro-rods. The diameter of micro-rod and surface rough increased with increasing of thermal evaporation temperature, the length of micro-rod increased with the increasing of evaporation time. The formation of hexagonal layer-stack structure was explained by a vapor–solid mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comparing the Purity of Rolled versus Evaporated Lithium Metal Films Using X-ray Microtomography

Here, we present a comparison of lithium metal films produced via rolling and thermal evaporation using synchrotron hard X-ray microtomography. In past studies of rolled lithium metal foils, a large number of C, O, and N impurities were found and identified as the key cause for failure in lithium metal cells. In this comparison, the X-ray tomography data show that the evaporated lithium metal films have an average impurity concentration of 19 particles/mm3 in comparison to 1350 particles/mm3 in the rolled lithium metal. An analysis of the inner substrate/lithium interface and outer lithium surface of the thermally evaporated film shows a much greater concentration of impurities at these interfaces, further emphasizing the importance of interface engineering in producing high-quality lithium metal batteries. Furthermore, we show that, if surface contamination can be avoided, it is possible to obtain lithium films with no impurities detectable by synchrotron hard X-ray tomography.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Tailoring Interface Energies via Phosphonic Acids to Grow and Stabilize Cubic FAPbI 3 Deposited by Thermal Evaporation

Coevaporation of formamidinium lead iodide (FAPbI 3 ) is a promising route for the fabrication of highly efficient and scalable optoelectronic devices, such as perovskite solar cells. However, it poses experimental challenges in achieving stoichiometric FAPbI 3 films with a cubic structure (α-FAPbI 3 ). In this work, we show that undesired hexagonal phases of both PbI 2 and FAPbI 3 form during thermal evaporation, including the well-known 2H-FAPbI 3 , which are detrimental for optoelectronic performance. We demonstrate the growth of α-FAPbI 3 at room temperature via thermal evaporation by depositing phosphonic acids (PAc) on substrates and subsequently coevaporating PbI 2 and formamidinium iodide. We use density-functional theory to develop a theoretical model to understand the relative growth energetics of the α and 2H phases of FAPbI 3 for different molecular interactions. Experiments and theory show that the presence of PAc molecules stabilizes the formation of α-FAPbI 3 in thin films when excess molecules are available to migrate during growth. This migration of molecules facilitates the continued presence of adsorbed organic precursors at the free surface throughout the evaporation, which lowers the growth energy of the α-FAPbI 3 phase. Our theoretical analyses of PAc molecule–molecule interactions show that ligands can form hydrogen bonding to reduce the migration rate of the molecules through the deposited film, limiting the effects on the crystal structure stabilization. Our results also show that the phase stabilization with molecules that migrate is long-lasting and resistant to moist air. These findings enable reliable formation and processing of α-FAPbI 3 films via vapor deposition.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A New Theoretical Framework for Parameterizing Nonequilibrium Fractionation During Evaporation From the Ocean

The evaporation model for water isotopes proposed by Craig and Gordon (1965, https://books.google.co.in/books?id=6wIKAQAAIAAJ) is used in most isotope-enabled atmospheric models for the parameterization of nonequilibrium fractionation during evaporation from the ocean. In this model, one of the most uncertain parameters is the nonequilibrium fractionation factor 𝛼 𝑘 . Many isotope models use the formulation of Merlivat and Jouzel (1979, https://doi.org/10.1029/jc084ic08p05029), which parameterizes 𝛼 𝑘 as a function of wind speed and distinguishes between a smooth and a rough regime to account for the effect of ocean waves. The resulting discontinuity in 𝛼 𝑘 between smooth and rough regimes has been disputed by several empirical studies. Here, we present a new approach to parameterizing 𝛼𝑘 by explicitly accounting for the influence of wave drag on the momentum flux near the surface. Following Cifuentes-Lorenzen et al. (2018, https://doi.org/10.1007/s10546-018-0376-0), we add a third wave-induced component to the total momentum flux, in addition to the viscous and turbulent components, and extend the definition of the eddy viscosity to account for the momentum flux due to waves and turbulent dissipation near the surface. The new scheme predicts a slight decrease of 𝛼 𝑘 with wind speed, similar to the smooth-regime parameterization of Merlivat and Jouzel (1979, https://doi.org/10.1029/jc084ic08p05029). This new parameterization is incorporated into the isotope-enabled Community Atmosphere Model, where it improves the correlation of simulated and measured vapor deuterium excess relative to the default version and a version with constant 𝛼 𝑘 , suggesting that it may be used as a valid representation of fractionation during evaporation from the ocean in future isotope models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Spallation process with simultaneous multi-particle emission in nuclear evaporation

High energy probes have been used currently to explore nuclear reaction mechanism and nuclear structure. The spallation process governs the reaction process around 1 GeV energy regime. A new aspect introduced here to describe the nuclear reaction is the in-medium nucleonnucleon collision framework. The nucleon-nucleon scattering is kinematically treated by using an effective mass to represent the nuclear binding. In respect to the evaporation phase of the reaction, we introduce the simultaneous particles emission decay. This process becomes important due to the rise of new channels at high excitation energy regime of the compound nucleus. As results, the particles yields in the rapid and evaporation phases are obtained and compared to experimental data. The effect and relevance of these simultaneous emission processes in the evaporation chain is also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
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 OSTI2014

Strength, stiffness, and microstructure of Cu(In,Ga)Se{sub 2} thin films deposited via sputtering and co-evaporation

This work examines Cu(In,Ga)Se{sub 2} thin films fabricated by (1) selenization of pre-sputtered Cu-In-Ga and (2) co-evaporation of each constituent. The efficiency disparity between films deposited via these two methods is linked to differences in morphology and microstructure. Atomic force microscopy and scanning electron microscopy show that selenized films have rougher surfaces and poor adhesion to molybdenum back contact. Transmission electron microscopy and electron energy loss spectroscopy revealed multiple voids near the Mo layer in selenized films and a depletion of Na and Se around the voids. Residual stresses in co-evaporated films were found to be ∼1.23 GPa using wafer curvature measurements. Uniaxial compression experiments on 500 nm-diameter nanopillars carved out from co-evaporated films revealed the elastic modulus of 70.4 ± 6.5 GPa. Hertzian contact model applied to nanoindentation data on selenized films revealed the indentation modulus of 68.9 ± 12.4 GPa, which is in agreement with previous reports. This equivalence of the elastic moduli suggests that microstructural differences manifest themselves after the yield point. Typical plastic behavior with two distinct failure modes is observed in the extracted stress-strain results, with the yield strength of 640.9 ± 13.7 MPa for pillars that failed by shearing and 1100.8 ± 77.8 MPa for pillars that failed by shattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

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↗
DOE OSTI2015

Observation and numerical modeling of chromospheric evaporation during the impulsive phase of a solar flare

We have studied the chromospheric evaporation flow during the impulsive phase of the flare by using the Hinode/EUV Imaging Spectrometer observation and 1D hydrodynamic numerical simulation coupled to the time-dependent ionization. The observation clearly shows that the strong redshift can be observed at the base of the flaring loop only during the impulsive phase. We performed two different numerical simulations to reproduce the strong downflows in FeXII and FeXV during the impulsive phase. By changing the thermal conduction coefficient, we carried out the numerical calculation of chromospheric evaporation in the thermal conduction dominant regime (conductivity coefficient κ{sub 0} = classical value) and the enthalpy flux dominant regime (κ{sub 0} = 0.1 × classical value). The chromospheric evaporation calculation in the enthalpy flux dominant regime could reproduce the strong redshift at the base of the flare during the impulsive phase. This result might indicate that the thermal conduction can be strongly suppressed in some cases of flare. We also find that time-dependent ionization effect is important to reproduce the strong downflows in Fe XII and Fe XV.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

The characteristic of evaporative cooling magnet for ECRIS

Compared with traditional de-ionized pressurized-water cooled magnet of ECRIS, evaporative cooling magnet has some special characteristics, such as high cooling efficiency, simple maintenance, and operation. The analysis is carried out according to the design and operation of LECR4 (Lanzhou Electron Cyclotron Resonance ion source No. 4, since July 2013), whose magnet is cooled by evaporative cooling technology. The insulation coolant replaces the de-ionized pressurized-water to absorb the heat of coils, and the physical and chemical properties of coolant remain stable for a long time with no need for purification or filtration. The coils of magnet are immersed in the liquid coolant. For the higher cooling efficiency of coolant, the current density of coils can be greatly improved. The heat transfer process executes under atmospheric pressure, and the temperature of coils is lower than 70 °C when the current density of coils is 12 A/mm{sup 2}. On the other hand, the heat transfer temperature of coolant is about 50 °C, and the heat can be transferred to fresh air which can save cost of water cooling system. Two years of LECR4 stable operation show that evaporative cooling technology can be used on magnet of ECRIS, and the application advantages are very obvious.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Evaporation-driven clustering of microscale pillars and lamellae

As a liquid film covering an array of micro- or nanoscale pillars or lamellae evaporates, its meniscus pulls the elastic patterns together because of capillary effects, leading to clustering of the slender microstructures. While this elastocapillary coalescence may imply various useful applications, it is detrimental to a semiconductor manufacturing process called the spin drying, where a liquid film rinses patterned wafers until drying. To understand the transient mechanism underlying such self-organization during and after liquid evaporation, we visualize the clustering dynamics of polymer micropatterns. Our visualization experiments reveal that the patterns clumped during liquid evaporation can be re-separated when completely dried in some cases. This restoration behavior is explained by considering adhesion energy of the patterns as well as capillary forces, which leads to a regime map to predict whether permanent stiction would occur. This work does not only extend our understanding of micropattern stiction, but also suggests a novel path to control and prevent pattern clustering.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Evaporative cooling of microscopic water droplets in vacuo : Molecular dynamics simulations and kinetic gas theory

In the present study, we investigate the process of evaporative cooling of nanometer-sized droplets in vacuum using molecular dynamics simulations with the TIP4P/2005 water model. The results are compared to the temperature evolution calculated from the Knudsen theory of evaporation which is derived from kinetic gas theory. The calculated and simulation results are found to be in very good agreement for an evaporation coefficient equal to unity. Lastly, our results are of interest to experiments utilizing droplet dispensers as well as to cloud micro-physics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

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↗