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Results for “interfacial forces”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Metal-dielectric interactions

There is a wide variety of situations wherein metals are in solid state contact with dielectric materials. The paper reviews some of the factors that influence solid state interactions for metals in contact with dielectric surfaces. Since surfaces play an important part in these reactions, the use of analytical tools in characterizing surfaces is discussed. Adhesion, friction, and wear are utilized as indicators of the nature of interfacial bonding between metals and dielectrics can be effectively determined with adhesion and friction force measurements. Films present on the surface, such as oxygen or water vapor, markedly alter adhesive bond strength which in turn affects friction force and interfacial fracture when attempts are made to separate the contact regions. Analytical surface tools such as the field ion microscope, Auger emission spectroscopy, and X-ray photoelectron spectroscopy are very effective in providing insight into the effect of contact on the surfaces of metals and dielectrics.

Buckley, D. H.↗
DOE OSTI2024

Bespoke Liquid/Liquid Interfaces (Final Technical Report)

The goal of DE-SC0001815 was to advance the basic science of liquid:liquid interface formation, to develop a deeper understanding of the mechanisms of phase separation and the essential relationships between solution composition, organization and dynamics that underlie the kinetic regime of solvent extraction. This included learning how interfacial organization and dynamics alters the properties of the primary coordination sphere of ions and the free energy of transport of ions complexes across a phase boundary. We relied primarily upon classical molecular dynamics studies to determine the equilibrium ensembles of these complex systems, but also utilized ab-initio MD and cluster-based density functional theory (DFT) calculations when more detailed investigation of the electronic structure was needed. We continued development of graph-theory based analyses to elucidate hierarchical correlations and expanded into geometric topology methods to quantify the collectively organized structures that can organize at a liquid/liquid interface during solute transport. One of the main conclusions was from the observation of two distinct mechanisms for solute transport - those that derive from amplifications of interfacial heterogeneity and surface roughness, and those wherein surface roughness has been dampened and instead collectively organized macrostructures work to bring solutes into the organic phase. It was our aim to create a concrete chemical model of the underlying driving forces behind interfacial primary and secondary structure formation and to map out the energetic features of solute transport so that tailored liquid/liquid can be developed that have characteristic kinetic features associated with mass transport.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Quantifying interfacial energetics of 2D semiconductor electrodes using in situ spectroelectrochemistry and many-body theory

Hot carrier extraction occurs in 2D semiconductor photoelectrochemical cells. Boosting the energy efficiency of hot carrier-based photoelectrochemical cells requires maximizing the hot carrier extraction rate relative to the cooling rate. One could expect to tune the hot carrier extraction rate constant (k ET ) via a Marcus–Gerischer relationship, where k ET depends exponentially on ΔG°' (the standard driving force for interfacial electron transfer). ΔG°' is defined as the energy level difference between a semiconductor's conduction/valence band (CB/VB) minima/maxima and the redox potential of reactant molecules in solution. A major challenge in the electrochemistry community is that conventional approaches to quantify ΔG°' for bulk semiconductors (e.g., Mott–Schottky measurements) cannot be directly applied to ultrathin 2D electrodes. The specific problem is that enormous electronic bandgap changes (>0.5 eV) and CB/VB edge movement take place upon illuminating or applying a potential to a 2D semiconductor electrode. Here, we develop an in situ absorbance spectroscopy approach to quantify interfacial energetics of 2D semiconductor/electrolyte interfaces using a minimal many-body model. Our results show that band edge movement in monolayer MoS 2 is significant (0.2–0.5 eV) over a narrow range of applied potentials (0.2–0.3 V). Such large band edge shifts could change k ET by a factor of 10–100, which has important consequences for practical solar energy conversion applications. We discuss the current experimental and theoretical knowledge gaps that must be addressed to minimize the error in the proposed optical approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Particle-based hematite crystallization is invariant to initial particle morphology

Significance Many crystallization processes occurring in nature produce highly ordered hierarchical architectures. Their formation cannot be explained using classical models of monomer-by-monomer growth. One of the possible pathways involves crystallization through the attachment of oriented nanocrystals. Thus, it requires detailed understanding of the mechanism of particle dynamics that leads to their precise crystallographic alignment along specific faces. In this study, we discover a particle-morphology–independent oriented attachment mechanism for hematite nanocrystals. Independent of crystal morphology, particles always align along the [001] direction driven by aligning interactions between (001) faces and repulsive interactions between other pairs of hematite faces. These results highlight that strong face specificity along one crystallographic direction can render oriented attachment to be independent of initial particle morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Mean Inner Potential of Liquid Water

Improving our experimental and theoretical knowledge of electric potentials at liquid-solid boundaries is essential to achieve a deeper understanding of the driving forces behind interfacial processes. Electron holography has proved successful in probing solid-solid interfaces but requires knowledge of the materials’ mean inner potential (MIP, V0), which is a fundamental bulk material property. Combining off-axis electron holography with liquid phase transmission electron microscopy (LPTEM), we provide the first quantitative MIP determination of liquid water V0=+4.48±0.19 V. This value is larger than most theoretical predictions, and to explain the disagreement we assess the dominant factors needed in quantum simulations of liquid water. A precise MIP lays the foundations for nanoscale holographic potential measurements in liquids and provides a benchmark to improve quantum mechanical descriptions of aqueous systems and their interfaces in e.g. electrochemistry, solvation processes and spectroscopy.

Yesibolati, Murat N.↗
NASA NTRS1989

Thermocapillary migration of liquid droplets in a temperature gradient in a density matched system

An experimental investigation of thermocapillary flow in droplets of a vegetable oil (partially hydrogenated soybean oil) immersed in silicone oil was conducted in a test cell with a heated top wall and a cooled bottom wall. The liquids are nearly immiscible and have equal densities at a temperature below the room temperature, thus providing a simulation of low-gravity conditions by reducing the buoyancy forces. The interfacial tension between the two oils was measured in the temperature range 20 to 50 C using a capillary tube and (d sigma)/(d T) was determined to be negative. Droplets ranging in sizes from 3 mm to 1 cm diameter were injected into the silicone oil. The vertical temperature profile in the bulk liquid (silicone oil) produces temperature variations along the interface which induce variations in the interfacial tension. The flow inside the droplet driven by the resulting interfacial shear stresses was observed using a laser light-sheet flow visualization technique. The flow direction is consistent with the sign of (d sigma)/(d T). The observed maximum surface velocities are compared to the theoretical predictions of Young et al. (1959).

Rashidnia, N.↗
NASA NTRS1991

Thermocapillary migration of liquid droplets in a temperature gradient in a density matched system

An experimental investigation of thermocapillary flow in droplets of a vegetable oil (partially hydrogenated soybean oil) immersed in silicone oil was conducted in a test cell with a heated top wall and a cooled bottom wall. The liquids are nearly immiscible and have equal densities at a temperature below the room temperature, thus providing a simulation of low-gravity conditions by reducing the buoyancy forces. The interfacial tension between the two oils was measured in the temperature range 20 to 50 C using a capillary tube and (d sigma)/(d T) was determined to be negative. Droplets ranging in sizes from 3 mm to 1 cm diameter were injected into the silicone oil. The vertical temperature profile in the bulk liquid (silicone oil) produces temperature variations along the interface which induce variations in the interfacial tension. The flow inside the droplet driven by the resulting interfacial shear stresses was observed using a laser light-sheet flow visualization technique. The flow direction is consistent with the sign of (d sigma)/(d T). The observed maximum surface velocities are compared to the theoretical predictions of Young et al. (1959).

Rashidnia, N.↗
NASA NTRS2015

Tribology Experiment in Zero Gravity

A tribology experiment in zero gravity was performed during the orbital flight of Spacelab 1 to study the motion of liquid lubricants over solid surfaces. The absence of a significant gravitational force facilitates observation of such motions as controlled by interfacial and capillary forces. Two experimental configurations were used. One deals with the liquid on one solid surface, and the other with the liquid between a pair of closed spaced surfaces. Time sequence photographs of fluid motion on a solid surface yielded spreading rate data of several fluid-surface combinations. In general, a slow spreading process as governed by the tertiary junction can be distinguished from a more rapid process which is driven by surface tension controlled internal fluid pressure. Photographs were also taken through the transparent bushings of several experimental journal bearings. Morphology of incomplete fluid films and its fluctuation with time suggest the presence or absence of unsteady phenomena of the bearing-rotor system in various arrangements.

Pan, C. H. T.↗
NASA NTRS1984

Tribology experiment in zero gravity

A tribology experiment in zero gravity was performed during the orbital flight of Spacelab 1 to study the motion of liquid lubricants over solid surfaces. The absence of a significant gravitational force facilitates studies of the motion of liquid lubricants over solid surfaces as controlled by interfacial and capillary forces. Observations were made of phenomena associated with the liquid on one solid surface and also with the liquid between a pair of closely spaced surfaces. Typical photographic records obtained on Spacelab 1 are described.

Pan, C. H. T.↗
DOE OSTI2020

Understanding the interface interaction between U3Si2 fuel and SiC cladding

Abstract Triuranium disilicide (U 3 Si 2 ) fuel with silicon carbide (SiC) composite cladding is being considered as an advanced concept/accident tolerant fuel for light water reactors thus, understanding their chemical compatibility under operational and accident conditions is paramount. Here we provide a comprehensive view of the interaction between U 3 Si 2 and SiC by utilizing density functional theory calculations supported by diffusion couple experiments. From the calculated reaction energies, we demonstrate that triuranium pentasilicide (U 3 Si 5 ), uranium carbide (UC), U 20 Si 16 C 3 , and uranium silicide (USi) phases can form at the interface. A detailed study of U 3 Si 2 and SiC defect formation energies of the equilibrated materials yielding the interfacial phases U 20 Si 16 C 3 , U 3 Si 5 and UC reveal a thermodynamic driving force for generating defects in both fuel and cladding. The absence of either the U 3 Si 2 or SiC phase, however, causes the defect formation energies in the other phase to be positive, removing the driving force for additional interfacial reactions. The diffusion couple experiments confirm the conclusion with demonstrated restricted formation of U 3 Si 5 , UC, and U 20 Si 16 C 3 /USi phases at the interface. The resulting lack of continuous interaction between the U 3 Si 2 and SiC, reflects the diminishing driving force for defect formation, demonstrating the substantial stability of this fuel-cladding system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Ion Correlations Decrease Particle Aggregation Rate by Increasing Hydration Forces at Interfaces

The connection between solution structure, particle forces, and emergent phenomena at solid–liquid interfaces remains ambiguous. In this case study on boehmite aggregation, we established a connection between interfacial solution structure, emerging hydration forces between two approaching particles, and the resulting structure and kinetics of particle aggregation. In contrast to expectations from continuum-based theories, we observed a nonmonotonic dependence of the aggregation rate on the concentration of sodium chloride, nitrate, or nitrite, decreasing by 15-fold in 4 molal compared to 1 molal solutions. These results are accompanied by an increase in repulsive hydration forces and interfacial oscillatory features from 0.27–0.31 nm in 0.01 molal to 0.38–0.52 nm in 2 molal. Moreover, molecular dynamics (MD) simulations indicated that these changes correspond to enhanced ion correlations near the interface and produced loosely bound aggregates that retain electrolyte between the particles. In conclusion, we anticipate that these results will enable the prediction of particle aggregation, attachment, and assembly, with broad relevance to interfacial phenomena.

36 MATERIALS SCIENCE↗
NASA NTRS1993

An augmented Young-Laplace model of an evaporating meniscus in a micro-channel with high heat flux

High flux evaporations from a steady meniscus formed in a 2 micron channel is modeled using the augmented Young-Laplace equation. The heat flux is found to be a function of the long range van der Waals dispersion force which represents interfacial conditions between heptane and various substrates. Heat fluxes of (1.3-1.6) x 10(exp 6) W/m(exp 2) based on the width of the channel are obtained for heptane completely wetting the substrate at 100 C. Small channels are used to obtain these large fluxes. Even though the real contact angle is 0 deg, the apparent contact angle is found to vary between 24.8 deg and 25.6 deg. The apparent contact angle, which represents viscous losses near the contact line, has a large effect on the heat flow rate because of its effect on capillary suction and the area of the meniscus. The interfacial heat flux is modeled using kinetic theory for the evaporation rate. The superheated state depends on the temperature and the pressure of the liquid phase. The liquid pressure differs from the pressure of the vapor phase due to capillarity and long range van der Waals dispersion forces which are relevant in the ultra think film formed at the leading edge of the meniscus. Important pressure gradients in the thin film cause a substantial apparent contact angle for a complete wetting system. The temperature of the liquid is related to the evaporation rate and to the substrate temperature through the steady heat conduction equation. Conduction in the liquid phase is calculated using finite element analysis except in the vicinity of the thin film. A lubrication theory solution for the thin film is combined with the finite element analysis by the method of matched asymptotic expansions.

Wayner, P. C., Jr.↗
NASA NTRS1985

Surface-Tension Driven Convection

The present experiments are directed to examine surface-tension gradients. The surface-tension induced convection under reduced gravity it's comparison with normal gravity convection with all other identical conditions are studied. The intensities of such flows and their penetration depth below the free surface are also determined. In this way, the dominant role of a free surface in a reduced-gravity environment is indicated. The interface between two fluid phases can influence the motion of fluids when either the interface has finite curvature or when the interfacial tension varies from point to point. In both cases, forces appear in the interfacial region that can affect or generate fluid motions.

Ostrach, S.↗
DOE OSTI2024

Effect of plasma treatment on LMPAEK/CF tape and composites manufactured by automated tape placement (ATP)

Automated tape placement (ATP) process is widely used in aerospace for its advanced process control and multi-axis capabilities but faces issues like limited choice of materials and suboptimal tape consolidation. This study investigates air plasma treatment on ATP carbon fiber thermoplastic feedstock tape to address these challenges. The effects on low melt Polyaryletherketone/carbon fiber unidirectional tape (LMPAEK/CF UD tape) were analyzed. Treated and untreated tapes were used to fabricate composites and evaluated for physical, thermal, mechanical, and interfacial properties. Atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared (FTIR) analyses revealed surface roughness changes (on LMPAEK), extent of oxidation, and the presence of hydroxyl/carboxyl groups. Composites from plasma-treated tapes showed a 7.6% increase in tensile strength, 8% in tensile modulus, 18% in flexural strength, and 8.3% in flexural modulus. Further, the interlaminar shear strength improved by 18.7%. Failure analysis showed untreated composites failed via inter-ply and fiber-matrix delamination, while treated composites experienced matrix cracking and fiber breakage. This study highlights atmospheric plasma treatment as a solution to ATP’s limitations, significantly enhancing LMPAEK/CF UD tape composites’ properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atomic-Scale Insights into the Lateral and Vertical Epitaxial Growth in Two-Dimensional Pd 2 Se 3 –MoS 2 Heterostructures

Two-dimensional (2D) materials form heterostructures in both the lateral and vertical directions when two different materials are interfaced, but with totally different bonding mechanisms of covalent in-plane to van der Waal’s layered interactions. Understanding how the competition between lateral and vertical forces influences the epitaxial growth is important for future materials development of complex mixed layered heterostructures. In this study, we use atomic-resolution annular dark-field scanning transmission electron microscopy to study the detailed atomic arrangements at mixed 2D heterostructure interfaces composed of two semiconductors with distinctly different crystal symmetry and elemental composition, Pd 2 Se 3 :MoS 2 , in order to understand the role of different chemical bonds on the resultant epitaxy. Pd 2 Se 3 is grown off the step edge in bilayer MoS 2 , and the vertical and lateral epitaxial relationships of the Pd 2 Se 3 –MoS 2 heterostructures are investigated. We find that the similarity of geometry at the interface with one metal (Pd or Mo) atoms bonded with two chalcogens (S or Se) are the crucial factors to make the atomically stitched lateral junction of 2D heterostructures. In addition, the vertical van der Waal interactions that are normally dominant in layered materials can be overcome by in-plane forces if the interfacial atomic stitching is high in quality and low in defect density. This knowledge should help guide the approaches for improving the epitaxy in mixed 2D heterostructures and seamless stitching of in-plane 2D heterostructures with various complex monolayer structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗