SEARCH · Search NASA

Results for “INTERFACE”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method

Abstract An interface-modified reproducing kernel particle method (IM-RKPM) is introduced in this work to allow for a direct model construction from image pixels of heterogeneous polycrystalline Li-ion battery microstructures. The interface-modified reproducing kernel (IM-RK) approximation is constructed through scaling of a kernel function by a regularized distance function in conjunction with strategic placement of interface node locations. This leads to RK shape functions with either weak or strong discontinuities across material interfaces, suitable for modeling various interface mechanics. With the placement of a triple junction node and distance-based scaling of kernel functions, the resulting IM-RK shape function also possesses proper discontinuities at the triple junctions. This IM-RK approximation effectively remedies the well-known Gibb’s oscillation in the smooth approximation of discontinuities. Different from the conventional meshfree approaches for interface discontinuities, this IM-RK approach is done without additional degrees of freedom associated with the enrichment functions, and it is formulated with the standard procedures in the RK shape function construction. This work focuses on identifying the accuracy and convergence properties of IM-RKPM for modeling the coupled electro-chemo-mechanical system. A linear patch test is formulated and numerically tested for the electro-chemo-mechanical coupled problem with a Butler–Volmer boundary condition representing the physical conditions in Li-ion battery microstructures. This is followed by verification of the optimal rates of convergence of IM-RKPM for solving the coupled problem with higher order solutions. The image-based modeling of Li-ion battery microstructures in the numerical examples demonstrates the applicability of the proposed method to realistic Li-ion battery materials modeling.

25 ENERGY STORAGE↗

DOE OSTI2025

A nonlinear optical perspective on the chemistry at liquid/liquid interfaces

In this review, we discuss some of the subtle (and not-so-subtle) rules that govern chemistry and transport at liquid/liquid (L/L) interfaces. An overview of the importance of L/L interfaces is provided with context about why these interfaces are so challenging to study. Emphasis is placed on the use of vibrational sum-frequency generation (SFG), a surface-specific spectroscopy, to probe these interfaces at and away from equilibrium. Highlights from our laboratory’s work probing these interfaces in the context of chemical separations and soft-matter electronics are discussed. In conclusion, revealing the rules that govern self-assembly, chemical recognition, and transport at these dynamic, highly heterogeneous interfaces can allow formulation of avenues to control chemical and physical transformations, impacting a range of basic and applied fields.

Doughty, Benjamin L. [Oak Ridge National Laborator↗

DOE OSTI2024

Electro-Chemo-Mechanical Evolution at the Garnet Solid Electrolyte–Cathode Interface

Solid-state batteries promise higher energy density and improved safety compared with lithium-ion batteries. However, electro-chemomechanical instabilities at the solid electrolyte interface with the cathode and the anode hinder their large scale implementation. Here, in this study, we focus on resolving electro-chemo-mechanical instability mechanisms and their onset conditions between a state-of-the-art cathode, LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622), and the garnet Li 7 La 3 Zr 2 O 12 (LLZO) solid electrolyte. We used thin-film NMC622 on LLZO pellets to place the interfacial region within the detection depth of the X-ray characterization techniques. The experimental probes of the near-interface region included in operando X-ray absorption spectroscopy and ex situ focused ion beam scanning electron microscopy. Electrochemical degradation was not observable during cycling at room temperature with 4.3 V versus Li/Li + charge voltage cutoff, or with stepwise potentiostatic hold up to 4.1 V versus Li/Li + . In contrast, secondary phases including reduced transition metal species (Ni 2+ , Co 2+ ) were found after cycling up to 4.3 V versus Li/Li + at 80 °C and during potentiostatic hold at 4.3 V versus Li/Li + (Ni 2+ ). Intergranular cracks between NMC622 grains and delamination at the NMC622|LLZO interface occurred readily after the first charge. These interface reaction products and mechanical failure lowered the capacity and cell efficiency due to partial loss of the NMC622 phase, partial loss of contact at the interface, and a higher polarization resistance. Electrochemical instability between delithiated NMC622 and LLZO could be mitigated by using a low charge voltage cutoff or cycling at lower temperature. Ways to engineer the mechanical properties to avoid crack deflection and delamination at the interface are also discussed for enhancing mechanical stability.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Chemical Interface Damping Revealed by Single-Particle Absorption Spectroscopy

Plasmon-induced interfacial charge separation is a promising way to efficiently extract energetic carriers through direct plasmon decay. This mechanism of charge transfer has been investigated by single-particle scattering spectroscopy, which measures the homogeneous plasmon line width. The line width is broadened by charge transfer, generally known as chemical interface damping. However, conflicting reports exist regarding the effect of chemical interface damping on the corresponding single-particle absorption spectrum, which is needed to accurately determine absolute light conversion efficiencies. This work aims to resolve this question by directly correlating absorption and scattering spectra of individual gold nanorods in the presence and absence of a charge-accepting interface. We find that for TiO 2 coated nanorods, the absorption line width is indeed broadened due to chemical interface damping but is overall narrower than the scattering line width. Here, chemical interface damping is furthermore found to increase with larger resonance energies. The observed differences in line widths between absorption and scattering are elucidated within the context of an analytically tractable model describing the lowest energy optically bright and higher-order optically dark plasmon modes of the nanorod, including bulk, radiative, and chemical interface damping effects. Taken together, these results establish that single-particle absorption spectroscopy is capable of revealing interfacial charge injection by direct plasmon decay.

absorption↗

DOE OSTI2025

Enhanced reactivity at the oil–water interface accelerates the synthesis of zymonic acid in microemulsions

Chemical reactions in microscale compartments, such as aerosols and emulsions, can exhibit significantly faster reaction rates relative to macroscale containers. This enhancement in chemistry is often due to the elevated importance of surfaces as reaction vessels are reduced to picoliter volumes. While most studies have focused on the air-water interface of droplets, there are comparably fewer studies of reactions in micron-scale aqueous solutions encapsulated by oil. Here we investigate the condensation reaction of pyruvic acid (PA) to form zymonic acid (ZA) and water. Using microfluidics and optical trapping, chemical kinetics are measured in monodisperse micron-sized emulsion droplets in situ via Raman spectroscopy. Relative to a macroscopic bulk solution, which exhibits little to no reaction over many days, we find efficient production of ZA over the same time period. A kinetic model is developed to elucidate the role of the interface in accelerating the microdroplet reaction kinetics. After quantifying the surface partitioning of PA from interfacial tension measurements, the rate coefficient for the condensation reaction at the oil-water interface is determined to be 1.8 × 10-2 M-1 s-1. This rate coefficient is estimated to be 105 larger than the reaction rate in bulk aqueous solutions. Compared to previous studies of accelerated ZA formation at the air-water interface on nanodroplets, we find that the reaction at the oil-water interface is 20 times more efficient. Despite this difference, the overall ZA formation rate in emulsions is significantly slower than in the same-sized aerosols, which arises from the weaker partitioning of PA to the oil-aqueous relative to air-water interface. These results highlight the interplay between interfacial partitioning and reactivity in accelerating chemistry in microcompartments and provides new insights into how interfacial composition influences condensation reactions.

Wallace, Brandon J↗

DOE OSTI2025

Probing specific ion effects at air-aqueous dibutyl phosphate interfaces using vibrational sum frequency generation spectroscopy

Molecular properties at air–liquid and liquid–liquid interface hold the key to many processes involving molecular transport across phase boundaries from aerosol formation to carbon cycling and material separation using solvent extraction techniques. Using dibutyl phosphate (DBP) as a representative for partially aqueous soluble surfactants, the specific ion effect (SIE) of the Hofmeister series cations Cs + , Na + , Li + , and Mg 2+ on the partition and interaction between surfactant molecules and water molecules in the air–aqueous interface are investigated using vibrational sum frequency generation spectroscopy and surface tension measurements. In the presence of 1 mM and 1M bulk aqueous phase ionic strength salt concentrations, fundamental qualitative relationships are observed for the salting out of DBP relative to bulk aqueous phase nitrate salt concentrations and the specific cations species. At 1 mM ionic strength, the interfacial charge and hence the interfacial potential modulates the electrostatic interactions; in particular, the counter cations partially screen the negatively charged interface induced by the DBP in a direct Hofmeister order. At 1M ionic strength, the electric field at the interface or interfacial potential is effectively neutralized, and the counter cations promote the partitioning of DBP to the interface depending on their specific interaction with the DBP head group and metal ion hydration properties. The present results lay a foundation to study SIEs of heavier metals on hydrophobic-aqueous DBP interfaces.

Louie, Christina [Washington State University, Pul↗

DOE OSTI2024

A Scalable & Non-Destructive Characterization Strategy to Study Semiconductor/Dielectric Interfaces and Predict Wafer-Level Device Performance

The defect density present at the dielectric-semiconductor interface in an MOS structure directly influences the channel carrier characteristics in semiconductor devices, especially in wide bandgap material systems used in power devices. While these trap defects are typically quantified through electrical characterization of MOS-capacitor test structures, this treatment offers very little insight into the physical nature of interface defects. Such shortcomings demand a physical characterization strategy to guide fabrication optimization. X-ray photoelectron spectroscopy (XPS) is suggested as a viable technique to determine chemical data for dielectric interfaces formed using atomic layer deposition (ALD) on GaN substrates. Previously, 1-D XPS characterization has confirmed the presence of a Ga x O y interlayer between ALD dielectrics and the GaN substrate. In this work, XPS data is serially collected to form 2-D images of an ALD-Al 2 O 3 /GaN interface as a proof-of-concept experiment for in-situ XPS quality monitoring during ALD processing. The information provided by this work reveals some of the challenges for incorporating XPS characterization as an in-situ strategy during fabrication of GaN-based devices. Separately, electrical mapping of a 2-D array of ALD-Al 2 O 3 /GaN MOS-capacitor devices provide a means to quantify the spatial variations in interface quality across a single wafer. Physical characterization techniques, such as time-of-flight secondary ion mass spectroscopy, provide additional chemical information about the Al 2 O 3 /Ga x O y /GaN structure that complement the electrical mapping results. This analysis shows that a higher Ga x O y content correlates with higher interface state defects for trap energies deep in the band gap.

42 ENGINEERING↗

NASA NTRS1974

Interplanetary stream interfaces

At 1 AU there is a distinct boundary (the stream interface) in the interaction region of a stream in the solar wind, characterized by an abrupt drop in density, a similar increase in temperature, and a small increase in speed. In some cases, this is a tangential discontinuity, in others it is probably evolving into a tangential discontinuity. It is suggested that stream interfaces form in the interplanetary medium as a consequence of the nonlinear evolution of streams generated by an increase in temperature in the solar envelope. This evolution eventually leads to the formation of a reverse shock behind the interface and a forward shock ahead of it. Two instances in which both a stream interface and a reverse shock had developed at 1 AU are presented. Examples of flare-generated shocks that passed through a stream and were observed near a stream interface are also presented. It is shown that stream interfaces are definitely not the same structures that others have identified as piston boundaries.

Burlaga, L. F.↗

NASA NTRS1976

Free-interface methods of substructure coupling for dynamic analysis

Benfield, et al. (1972) showed that among fixed-interface, free-interface, and hybrid substructure coupling methods, the fixed-interface methods as the most accurate and the free-interface methods are the least accurate. In the present note, a substructure coupling method is proposed which employs free-interface substructure modes supplemented by 'reduced flexibility.' Substructure coupling based on the improved substructure model is discussed, and a numerical comparison with Hou's free-interface method is given. To simplify representation of the method proposed, the substructure equations are developed first for constrained substructures, and then the equations representing substructures with rigid-body modes are given. Finally, the equations for coupling of substructures are derived. Example calculations are included.

Craig, R. R., Jr.↗

NASA NTRS1978

Analysis of solidification interface shape during continuous casting of a slab

An analysis was made of the two-dimensional interface shape of a slab ingot being cast continuously by withdrawing it from a mold. The sides of the ingot are being cooled and the upper boundary of the ingot is in contact with a pool of molten metal. The solidification interface shape was determined from the analysis of the heat flow, utilizing the condition that the solidification interface is at constant temperature and must be normal to the lines of heat flow carrying away latent heat of fusion from the interface. The analysis includes the effect of interface curvature which, for a constant rate of withdrawing the cast ingot from the mold, causes the solidification to be nonuniform along the interface. The analysis was carried out by a conformal mapping procedure.

Siegel, R.↗

NASA NTRS1982

Analysis of solidification interface shape resulting from applied sinusoidal heating

Maintaining a flat solidification interface is important for forming desired crystal structures in certain types of metal casting processes. This has application in new manufacturing techniques for naturally strengthened composite components such as turbine blades. The solidification interface shape will adjust to be compatible with the spatial distribution of energy being transferred to it. The interface shape must be found that satisfies conditions of simultaneously being at the fusion temperature and having an imposed spatially varying heat flux. Specific results are obtained for the heat transfer from the liquid phase varying along the interface in a cosine fashion. Interface shapes are found as a function of the amplitude and wavelength of the imposed heat transfer variations, and the sensitivity of the interface shape to these variations is examined.

Siegel, R.↗

NASA NTRS1984

Orbiter middeck/payload standard interfaces control document

The interfaces which shall be provided by the baseline shuttle mid-deck for payload use within the mid-deck area are defined, as well as all constraints which shall be observed by all the users of the defined interfaces. Commonality was established with respect to analytical approaches, analytical models, technical data and definitions for integrated analyses by all the interfacing parties. Any payload interfaces that are out of scope with the standard interfaces defined shall be defined in a Payload Unique Interface Control Document (ICD) for a given payload. Each Payload Unique ICD will have comparable paragraphs to this ICD and will have a corresponding notation of A, for applicable; N/A, for not applicable; N, for note added for explanation; and E, for exception. On any flight, the STS reserves the right to assign locations to both payloads mounted on an adapter plate(s) and payloads stored within standard lockers. Specific locations requests and/or requirements exceeding standard mid-deck payload requirements may result in a reduction in manifesting opportunities.

Source record↗

NASA NTRS1985

The Control of Float Zone Interfaces by the Use of Selected Boundary Conditions

Since the float zone process involves two solid-melt interfaces, possible gas interfaces, heat and mass transfers, various driving forces and complex heating sources, an analysis of the entire process would be very complex. For an initial investigation, a more feasible approach is to examine each component of the process separately. The three principal components are: (1) the shapes of the melt and solid-melt interfaces, (2) the heat and mass transfers, and (3) the heating and cooling sources. This study combined facets of all three components. The purpose of this effort was to study and compute the surface boundary conditions required to give flat (float zone) FZ solid-melt interfaces. This study was undertaken in two phases. The first phase was to investigate the solid zones surface boundary conditions required for flat solid-melt interfaces when given the melt zone surface boundary conditions. The second phase complemented the first and was to investigate the melt zone surface boundary conditions required for flat solid-melt interfaces if given the solid zones surface boundary conditions. Dual integral transform methods were used in both phases; in addition, the use of various numerical methods for differential equations and linear systems of equations were required.

Foster, L. M.↗

NASA NTRS1987

Interface roughness effect on stresses in ceramic coatings

This paper presents an analysis of the interface stress in plasma-sprayed zirconia coatings. The stress distributions along smooth and rough interfaces were calculated for perfectly bonded materials. The effect of mechanial interlock along the interface was also calculated. The interface stresses for noninterlocking interfaces were consistently higher; the interlocking interfaces showed high stresses in small regions only.

Mullen, Robert L.↗

NASA NTRS1989

Numerical studies of the effects of jet-induced mixing on liquid-vapor interface condensation

Numerical solutions of jet-induced mixing in a partially full cryogenic tank are presented. An axisymmetric laminar jet is discharged from the central part of the tank bottom toward the liquid-vapor interface. Liquid is withdrawn at the same volume flow rate from the outer part of the tank. The jet is at a temperature lower than the interface, which is maintained at a certain saturation temperature. The interface is assumed to be flat and shear-free and the condensation-induced velocity is assumed to be negligibly small compared with radial interface velocity. Finite-difference method is used to solve the nondimensional form of steady state continuity, momentum, and energy equations. Calculations are conducted for jet Reynolds numbers ranging from 150 to 600 and Prandtl numbers ranging from 0.85 to 2.65. The effects of above stated parameters on the condensation Nusselt and Stanton numbers which characterize the steady-state interface condensation process are investigated. Detailed analysis to gain a better understanding of the fundamentals of fluid mixing and interface condensation is performed.

Lin, Chin-Shun↗

NASA NTRS1989

Numerical studies of the effects of jet-induced mixing on liquid-vapor interface condensation

Lin, Chin-Shun↗

NASA NTRS1989

Hubble Space Telescope-Space Shuttle interface dynamic verification test

A test program has been developed for the interface between the Space Shuttle Orbiter and the Hubble Space Telescope which couples a standard modal test for a simple suspended structure with a novel, 'interface verification' test. While the free-free modal test is used to verify the high loads generating structural modes due to the interaction of internal components of the structure with the rest of the structure, the interface verification test verifies the character of the high-loading generating modes in which the structure reacts against the booster interface. The novel method excites the structure at a single payload-booster interface DOF, while all other interfaces are left free to move.

Blair, Mark A.↗

NASA NTRS1989

Ballistic-electron-emission microscopy of subsurface defects at the Au-GaAs(100) interface

The application of ballistic-electron-emission microscopy (BEEM) to a study of the influence of GaAs(100) substrate conditions on the formation of a multidefect structure at the Au-GaAs(100) Schottky barrier interface is described. Interfaces prepared on both melt-grown GaAs(100) wafer substrates and MBF-deposited GaAs(100) buffer layers are considered. As a comparison to the study of Au-GaAs(100) interfaces, BEEM imaging is performed on Au-Si(100) interfaces. It is noted that Au-GaAs(100) interface formation is relatively insensitive to the effects of substrate surface condition and substrate bulk defect density, and that the combination of BEEM imaging and BEEM spectroscopy indicates that the heterogeneous interface defects are the result of diffusion between the Schottky barrier electrodes.

Hecht, M. H.↗