Model-driven development of durable and scalable thermal energy storage materials for buildings
Not Available
25 ENERGY STORAGE↗
SEARCH · Engineering Papers
Results for “Phase change”
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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Unified descriptor for enhanced critical heat flux during pool boiling of hemi-wicking surfaces
Boiling heat transfer is dictated by interfacial phenomena at the three-phase contact line where vapor bubbles form on the surface. Structured surfaces have shown significant enhancement in critical heat flux (CHF) during pool boiling by tailoring interfacial phenomena. This CHF enhancement has been primarily explained by two structural effects: roughness, which extends the contact line length at the bubble base, and wickability, the ability to imbibe liquid through surface structures by capillary pumping. Here, in this work, we show that CHF enhancement on structured surfaces cannot be described by roughness or wickability alone. This result was confirmed using systematically designed micropillar surfaces with controlled roughness and wickability. Further, we performed a scaling analysis and derived a unified descriptor, which represents the combined effects of thin film density and volumetric wicking rate. This unified descriptor shows a reasonable correlation with CHF values with our experiments and literature data. This work provides important insights in understanding the role of surface structures on CHF enhancement, thereby providing guidelines for the systematic design of surface structures for enhanced pool boiling heat transfer.
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Combustion synthesis of Eu 2 O 3 nanomaterials with tunable phase composition and morphology
Combustion reactions in europium nitrate – acetylacetone – 2-methoxyethanol solutions and gels were investigated to produce europium (III) oxide (Eu 2 O 3 ) nanocrystalline materials and thin films. Thermal analyses of solutions indicated that the 2-methoxyethanol solvent also acts as a fuel in the absence of acetylacetone. Adding acetylacetone increases the overall heat of the reaction. Thermal analysis results revealed that the slow oxidation of unburned hydrocarbon residues follows the primary combustion reaction. Time-temperature profile measurements of the bulk combustion synthesis process in air and nitrogen atmospheres enabled the extraction of the maximum reaction temperature and the heating and cooling rates in the combustion zone. Several direct correlations exist between measured combustion parameters and the phase composition of the products. Combustion in air results in mixed-phase cubic and monoclinic nanocrystalline Eu 2 O 3 . Increasing the acetylacetone concentration in solutions increases the synthesis temperature and decreases the quantity of cubic Eu 2 O 3 . Here, the reaction of solutions in a nitrogen atmosphere or diluted with Eu 2 O 3 provides control of the product phase composition and reduces the quantity of the monoclinic phase. Transmission electron microscopy imaging shows that the Eu 2 O 3 end products are highly porous aggregates of nanocrystalline particles. Electrospraying of reactive solutions onto different substrates followed by short annealing makes the preparation of Eu 2 O 3 materials with diverse morphologies possible.
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Interplay of strain and phase evolution of laser powder bed fusion Ti–6Al–4V
While additive manufacturing (AM) provides a method of producing geometrically complex and highly detailed structures, the generation of residual strain in AM processes like laser powder bed fusion (L-PBF) can negatively impact performance-enabling properties. In applications such as orthopedic implants, specific performance windows require optimized microstructures in order to obtain desirable properties from multi-phase alloys like Ti–6Al–4V. This research aims to quantify the microscale origins of strain in L-PBF manufactured Ti–6Al–4V by understanding how strain is distributed at the grain and sub-grain scale, the interplay between phase evolution and strain, and examining post-processing strain relief strategies to control these features. Model spinal cage implants were manufactured from Ti–6Al–4V powder via L-PBF and then subjected to strain relieving heat treatment cycles above and below the Ti–6Al–4V β transus as a function of time and cooling rate. Residual strain was then studied via high resolution electron backscatter diffraction (HR-EBSD), and 2D strain maps with sub-micron resolution were generated for each post-processing state. It was found that macroscale thermal strains decreased with heat treatment time, but additional contributions from phase stabilizing residual strains retained primarily in the α' grains as lattice distortive strain remained. Additionally, the retention of β phase significantly changed the strain and dislocation distribution while reducing overall residual strain. In conclusion, these results were validated and reinforced with 3D mesoscopic micromechanical modeling of strain behavior across simulated microstructures, confirming that the local lattice dilation of α’ martensite is a primary contributor of microscale strain generation and retention in L-PBF Ti–6Al–4V.
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Transcritical diffuse-interface hydrodynamics of propellants in high-pressure combustors of chemical propulsion systems
Rocket engines and high-power new generations of gas-turbine jet engines and diesel engines oftentimes involve the injection of one or more reactants at subcritical temperatures into combustor environments at high pressures, and more particularly at pressures higher than those corresponding to the critical points of the individual components of the mixture, which typically range from 13 to 50 bars for most propellants. This class of trajectories in the thermodynamic space has been traditionally referred to as transcritical. However, the fundamental understanding of fuel atomization, vaporization, mixing, and combustion processes at such high pressures remains elusive. In particular, whereas fuel sprays are relatively well characterized at normal pressures, analyses of dispersion of fuel in high-pressure combustors are hindered by the limited experimental diagnostics and theoretical formulations available. The description of the thermodynamics of hydrocarbon-fueled mixtures employed in chemical propulsion systems is complex and involves mixing-induced phenomena, including an elevation of the critical point whereby the coexistence region of the mixture extends up to pressures much larger than the critical pressures of the individual components. As a result, interfaces subject to surface-tension forces may persist in multicomponent systems despite the high pressures, and may give rise to unexpected spray-like atomization dynamics that are otherwise absent in monocomponent systems above their critical point. In this article, the current understanding of this phenomenon is reviewed within the context of propulsion systems fueled by heavy hydrocarbons. Emphasis is made on analytical descriptions at mesoscopic scales of interest for computational fluid dynamics. In particular, a set of modifications of the constitutive laws in the Navier–Stokes equations for multicomponent flows, supplemented with a high-pressure equation of state and appropriate redefinitions of the thermodynamic potentials, are introduced in this work based on an extended version of the diffuse-interface theory of van der Waals. The resulting formulation involves revisited forms of the stress tensor and transport fluxes of heat and species, and enables a description of the mesoscopic volumetric effects induced by transcritical interfaces consistently with the thermodynamic phase diagram of the mixture at high pressures. Additionally, applications of the theory are illustrated in canonical problems, including dodecane/nitrogen transcritical interfaces in non-isothermal systems. The results indicate that a transcritical interface is formed between the propellant streams that persists downstream of the injection orifice over distances of the same order as the characteristic thermal-entrance length of the fuel stream. The transcritical interface vanishes at an edge that gives rise to a fully supercritical mixing layer.
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Effect of 316 stainless steel powder processing conditions on microstructure
One parameter that has both economic and performance effects in the manufacturing of steel parts is the powder feedstock used. 316 L steel powder can be produced through water atomization or gas atomization, where both the powder size and the atomization process determine the cost of powder feedstock. Gas atomized powder is spherical and has a lower oxygen content than water atomized powder, making it the preferred choice for performance, but comes at a higher financial cost. Here, in this study, various 316 L powder batches are characterized to understand physical properties and microstructural variations. Density and flowability were determined using gas pycnometry and Hall flow tests. Powder morphology and porosity were qualitatively analyzed via optical microscopy and scanning electron microscopy, Finally, transmission electron microscopy was used to determine changes in phases present. Spherical gas atomized powder of 30–100 μm contained Mn$-$Si rich oxides both on the surface and within the matrix. Meanwhile, irregular water atomized powder 30 μm in diameter contained silicon oxides without manganese. All powder particles contained a nickel rich cellular structure which was shown to support the formation of additional phases. While literature has observed general microstructural features across 316 L powder particles, transmission electron microscopy (TEM) in this study has identified variations in precipitation and cell structures. Information regarding morphology, flowability, density, and phase distributions can be applied to understand variations in part consolidation, which will in turn show which powder aspects are significant for production.
Chemical segregation↗
Influence of late-Holocene climate change on the solid-phase speciation and long-term stability of arsenic in sub-Arctic lake sediments
Abstract not provided
Miller, Clare B. (ORCID:0000000332410314)↗
Developing aqueous solubilizing agents as an alternative to solvent extraction
Here, advancing separations science is important for the entire field of chemistry. One partitioning technique that would benefit from improvement is solvent extraction. Despite its effective and widespread use, the method suffers from some problems: generation of flammable organic waste, lengthy process times, and safety concerns associated with contacting organic solvents with acidic aqueous solutions. We developed an alternative separation method inspired by solvent extraction that side-steps those issues. Toward this end, we identified that the functionality of an extractant (an agent used in solvent extraction to pull analytes from the aqueous phase into the organic phase) would change if it was modified for water solubility. In this alternative scenario, the extractant transforms into an “aqueous solubilizing agent.” We discovered that adding this aqueous solubilizing agent alongside a precipitating agent caused the contaminants to precipitate, but not the analyte. This separation concept was demonstrated within the bounds of one of the most difficult partitioning problems, separating minor actinides (Am 3+ ) from lanthanides (Ln 3+ ). We discovered that the (HSO 3 Ph) 4 BTP (aq) aqueous solubilizing agent prevented Am 3+ (aq) from precipitating with Ln 3+ (aq) when f-element precipitating agents (NaF (aq) or HF (aq) ) were added. This separation boasts impressive Am 3+ (aq) recovery yield (90 ± 2 %), near quantitative Ln 3+ (aq) removal, and high separation factors [>3000, Am 3+ (aq) vs. Nd 3+ (aq) ]. It seems likely – given the large number of candidate extractants that could be modified for aqueous solubility and the numerous combinations of existing solubilizing and precipitating agents – that this alternative approach could be used broadly in place of solvent extraction and solve other important separation problems.
(HSO3Ph)4BTP(aq)↗
Mesoporous MoO 2 thin films for high rate Li + storage: Effect of crystallinity and porous structure
MoO 2 has attracted much recent attention as a high capacity energy storage material. While much of the current work on MoO 2 has been focused on the high capacity four-electron reduction, this reaction is limited to slow charging process due to the large volume change and phase transitions involved. In this study we focus on one-electron insertion reactions and demonstrate that ordered mesoporous thin films of MoO 2 can show signatures of pseudocapacitive charge storage. Mesoporous MoO 2 (mp-MoO 2 ) thin films were treated at different temperatures between 350 and 700 °C to explore the role of crystallinity and nanoscale structure on charging dynamics. The porosity and pore size decreased while the crystallinity and grain size increased as the calcination temperature increased. Materials processed at 600 °C showed the best electrochemical performance due to an optimized combination of high crystallinity and small grain size. These materials could be charged and discharged in 24 s while still achieving a Li + storage capacity of 158 mAh/g. While such thin film systems do not constitute a practical energy storage device, the work here provides structural design parameters for the production of future bulk nanoporous materials.
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Probing hydrogen-bond networks in plastic crystals with terahertz and infrared spectroscopy
Not Available
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Understanding the Influence of Receptive Field and Network Complexity in Neural Network-Guided TEM Image Analysis
Abstract Trained neural networks are promising tools to analyze the ever-increasing amount of scientific image data, but it is unclear how to best customize these networks for the unique features in transmission electron micrographs. Here, we systematically examine how neural network architecture choices affect how neural networks segment, or pixel-wise separate, crystalline nanoparticles from amorphous background in transmission electron microscopy (TEM) images. We focus on decoupling the influence of receptive field, or the area of the input image that contributes to the output decision, from network complexity, which dictates the number of trainable parameters. For low-resolution TEM images which rely on amplitude contrast to distinguish nanoparticles from background, we find that the receptive field does not significantly influence segmentation performance. On the other hand, for high-resolution TEM images which rely on both amplitude and phase-contrast changes to identify nanoparticles, receptive field is an important parameter for increased performance, especially in images with minimal amplitude contrast. Rather than depending on atom or nanoparticle size, the ideal receptive field seems to be inversely correlated to the degree of nanoparticle contrast in the image. Our results provide insight and guidance as to how to adapt neural networks for applications with TEM datasets.
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Solution-Processed Temperature-Adaptive Radiative Paint as a Thermal Imaging Sensitizer
Thermography detects mid-infrared radiation from surfaces based on the Stefan-Boltzmann law, mapping surface temperatures and potentially revealing subsurface thermal activity. Recent developments offer an alternative strategy to traditional camera-based improvements: a thermal imaging sensitizer (TIS) coating whose emissivity increases sharply with local temperature, amplifying small thermal variations into high-contrast signals. Existing TIS structures are nanofabricated solid membranes and face significant challenges in fabrication complexity. Here, in this study, we present a solution-processed, liquid form of TIS, termed temperature-adaptive radiative paint (TARP), to address these limitations. TARP offers drastically reduced fabrication costs, scalability to large areas, applicability to curved surfaces, and an extended operating temperature range, while maintaining the function of temperature amplification. Application of TARP enhances small temperature contrast by more than 3 times, substantially improving ambient thermography and enabling broader applications such as detection of structural defects and hot spots in electronic components.
paint↗
Zinc Nitrate Hexahydrate Pseudobinary Eutectics for Near-Room-Temperature Thermal Energy Storage
Not Available
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Scalable Hot-Water-Repellent Superhydrophobicity via Thermal Insulation
Superhydrophobic surfaces, which rely on a combination of surface texture and chemistry, often lose their repellent behavior when contacted by hot water (≳40 °C) because the impinging hot water replaces the requisite air layer within the surface texture via evaporation and recondensation. In contrast to previous approaches targeting this condensation-induced failure mode that rely on intricately tailored surface structures or complex chemical treatments, we present a scalable approach based on thermal design: the multilayered insulated superhydrophobic (MISH) coating mitigates condensation-induced failure by preventing heat transfer. Superhydrophobicity is retained at impinging water temperatures up to 90 °C, with durability demonstrated via long-term (>1 million impacts) droplet impingement experiments. We explain the mechanism for this approach with a detailed thermal model; the model reveals that the underlying physical behavior is self-similar across coating parameters and impinging fluid temperatures. Finally, the MISH coating accommodates curved geometries and large surfaces, and it is over 4 orders of magnitude less expensive than cleanroomnanofabricated alternatives, indicating promise for practical use in the energy sector, chemical processing, and the food and medical industries.
coating materials↗
cm 2 -Scale Synthesis of MoTe 2 Thin Films with Large Grains and Layer Control
Owing to the small energy differences between its polymorphs, MoTe 2 can access a full spectrum of electronic states from the 2H semiconducting state to the 1T' semimetallic state and from the T d Weyl semimetallic state to the superconducting state in the 1T' and T d phase at low temperature. Thus, it is a model system for phase transformation studies as well as quantum phenomena such as the quantum spin Hall effect and topological superconductivity. Careful studies of MoTe 2 and its potential applications require large-area MoTe 2 thin films with high crystallinity and thickness control. Here, we present cm 2 -scale synthesis of 2H-MoTe 2 thin films with layer control and large grains that span several microns. Layer control is achieved by controlling the initial thickness of the precursor MoO x thin films, which are deposited on sapphire substrates by atomic layer deposition and subsequently tellurized. Despite the van der Waals epitaxy, the precursor–substrate interface is found to critically determine the uniformity in thickness and grain size of the resulting MoTe 2 films: MoTe 2 grown on sapphire show uniform films while MoTe 2 grown on amorphous SiO 2 substrates form islands. Furthermore, this synthesis strategy decouples the layer control from the variabilities of growth conditions for robust growth results and is applicable to growing other transition-metal dichalcogenides with layer control.
2D materials↗
Insights into the Enhanced Reversibility of Graphite Anode Upon Fast Charging Through Li Reservoir
Increasing the charging rate and reducing the charging time for Li-ion batteries are crucial to realize the mainstream of electric vehicles. However, it is formidable to avoid the Li plating on graphite anode upon fast charging. Despite the tremendous progress in Li detection techniques, the fundamental mechanism of Li plating and its chemical/electrochemical responses upon cycling still remains elusive. Herein, we present a comprehensive electrochemical method to investigate the fast charging behavior of graphite electrode. A detailed analysis is directed toward understanding the changes in phase, composition, and morphology of the fast-charged graphite. By applying a resting process, we scrutinize the further reactions of the plated Li, which readily transforms into irreversible (dead) Li. We further develop a modified graphite electrode with a thin Ag coating as the Li reservoir. The plated Li can be "absorbed" by the Ag layer to form the Li-Ag solid solution that suppresses the formation of dead Li and provides structural stability, thus promoting the further lithiation of graphite and enhancing the reversibility. Here this work not only provides additional insights into the fast charging behavior of graphite electrode but also demonstrates a potential strategy to improve the fast charging performance of graphite anode.
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Infrared Nanoimaging of Hydrogenated Perovskite Nickelate Memristive Devices
Solid-state devices made from correlated oxides, such as perovskite nickelates, are promising for neuromorphic computing by mimicking biological synaptic function. However, comprehending dopant action at the nanoscale poses a formidable challenge to understanding the elementary mechanisms involved. Here, we perform operando infrared nanoimaging of hydrogen-doped correlated perovskite, neodymium nickel oxide (H-NdNiO 3 , H-NNO), devices and reveal how an applied field perturbs dopant distribution at the nanoscale. This perturbation leads to stripe phases of varying conductivity perpendicular to the applied field, which define the macroscale electrical characteristics of the devices. Hyperspectral nano-FTIR imaging in conjunction with density functional theory calculations unveils a real-space map of multiple vibrational states of H-NNO associated with OH stretching modes and their dependence on the dopant concentration. Moreover, the localization of excess charges induces an out-of-plane lattice expansion in NNO which was confirmed by in situ X-ray diffraction and creates a strain that acts as a barrier against further diffusion. Our results and the techniques presented here hold great potential for the rapidly growing field of memristors and neuromorphic devices wherein nanoscale ion motion is fundamentally responsible for function.
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