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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Ultrasonic Characterization of Interfaces in Composite Bonds

The inverse determination of imperfect interfaces from reflection spectra of normal and oblique incident ultrasonic waves in adhesive bonds of multidirectional composites is investigated. The oblique measurements are complicated by the highly dispersed nature of oblique wave spectra at frequencies above 3MHz. Different strategies for bond property reconstruction, including a modulation method, are discussed. The relation of measured interfacial spring density to the physico-chemical model of a composite interface described by polymer molecular bonds to emulate loss of molecular strength on an adhesive composite interface is discussed. This potentially relates the interfacial (adhesion) strength (number of bonds at the adhesive substrate interface) to the spring constant (stiffness) area density (flux), which is an ultrasonically measurable parameter.

Wang, N.↗

Correlating Superconducting Qubit Performance Losses to Sidewall Near-Field Scattering via Terahertz Nanophotonics

Elucidating dielectric losses, structural heterogeneity, and interface imperfections is critical for improving coherence in superconducting qubits. However, most diagnostics rely on destructive electron microscopy or low-throughput millikelvin quantum measurements. Here, we demonstrate noninvasive terahertz (THz) nano-imaging/-spectroscopy of encapsulated niobium transmon qubits, revealing sidewall near-field scattering that correlates with qubit coherence. We further employ a THz hyperspectral line scan to probe dielectric responses and field participation at Al junction interfaces. These findings highlight the promise of THz near-field methods as a high-throughput proxy characterization tool for guiding material selection and optimizing processing protocols to improve qubit and quantum circuit performance.

Kim, Richard H.J. [Ames Lab]↗

Site-Selective Atomic Layer Deposition at Thermally Generated Surface Oxygen Vacancies on Rutile TiO 2

Unique atomic arrangements (i.e., defects) on material surfaces may exhibit distinctive reactivity that affords opportunities for selective surface chemistry exclusively at those sites. While theoretically appealing, site-selective atomic layer deposition (ALD) processes remain largely unrealized experimentally. Here we provide evidence for site-selective ALD that exclusively targets oxygen vacancies thermally generated at the surface of TiO 2 single crystals. High-resolution in situ ellipsometry reveals the nucleation behavior of dimethylaluminum isopropoxide (DMAI) and water at process conditions precisely tuned for selective hydroxylation of surface defects. An island growth model for nucleation and atomic force microscopy (AFM) imaging are consistent with a site-selective growth mechanism that depends on the surface oxygen vacancy density. This approach to direct ALD reactions at defective surface sites may provide future opportunities for targeted remediation of electronically imperfect interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Influence of fiber architecture on the elastic an d inelastic response of metal matrix composites

This three part paper focuses on the effect of fiber architecture (i.e., shape and distribution) on the elastic and inelastic response of metal matrix composites. The first part provides an annotative survey of the literature, presented as a historical perspective, dealing with the effects of fiber shape and distribution on the response of advanced polymeric matrix and metal matrix composites. Previous investigations dealing with both continuously and discontinuously reinforced composites are included. A summary of the state-of-the-art will assist in defining new directions in this quickly reviving area of research. The second part outlines a recently developed analytical micromechanics model that is particularly well suited for studying the influence of these effects on the response of metal matrix composites. This micromechanics model, referred to as the generalized method of cells (GMC), is capable of predicting the overall, inelastic behavior of unidirectional, multi-phased composites given the properties of the constituents. In particular, the model is sufficiently general to predict the response of unidirectional composites reinforced by either continuous or discontinuous fibers with different inclusion shapes and spatial arrangements in the presence of either perfect or imperfect interfaces and/or interfacial layers. Recent developments regarding this promising model, as well as directions for future enhancements of the model's predictive capability, are included. Finally, the third pan provides qualitative results generated using GMC for a representative titanium matix composite system, SCS-6/TlMETAL 21S. Results are presented that correctly demonstrate the relative effects of fiber arrangement and shape on the longitudinal and transverse stress-strain and creep response, with both strong and weak fiber/matrix interfacial bonds. The fiber arrangements include square, square diagonal, hexagonal and rectangular periodic arrays, as well as a random array. The fiber shapes include circular, square and cross-shaped cross sections. The effect of fiber volume fraction on the observed stress-strain response is also discussed, as the thus-far poorly documented strain rate sensitivity effect. In addition to the well documented features of architecture dependent response of continuously reinforced two-phase MMC's, new results involving continuous multi-phase internal architectures are presented. Specifically, stress strain and creep response of composites with different size fibers having different internal arrangements and bond strengths are investigated with the aim of determining the feasibility of using this approach to enhance the transverse toughness and creep resistance of TMC's.

Arnold, Steven M.↗

Micromechanics of Composite Materials Governed by Vector Constitutive Laws

The high-fidelity generalized method of cells micromechanics theory has been extended for the prediction of the effective property tensor and the corresponding local field distributions for composites whose constituents are governed by vector constitutive laws. As shown, the shear analogy, which can predict effective transverse properties, is not valid in the general three-dimensional case. Consequently, a general derivation is presented that is applicable to both continuously and discontinuously reinforced composites with arbitrary vector constitutive laws and periodic microstructures. Results are given for thermal and electric problems, effective properties and local field distributions, ordered and random microstructures, as well as complex geometries including woven composites. Comparisons of the theory's predictions are made to test data, numerical analysis, and classical expressions from the literature. Further, classical methods cannot provide the local field distributions in the composite, and it is demonstrated that, as the percolation threshold is approached, their predictions are increasingly unreliable. XXXX It has been observed that the bonding between the fibers and matrix in composite materials can be imperfect. In the context of thermal conductivity, such imperfect interfaces have been investigated in micromechanical models by Dunn and Taya (1993), Duan and Karihaloo (2007), Nan et al. (1997) and Hashin (2001). The present HFGMC micromechanical method, derived for perfectly bonded composite materials governed by vector constitutive laws, can be easily generalized to include the effects of weak bonding between the constituents. Such generalizations, in the context of the mechanical micromechanics problem, involve introduction of a traction-separation law at the fiber/matrix interface and have been presented by Aboudi (1987), Bednarcyk and Arnold (2002), Bednarcyk et al. (2004) and Aboudi et al. (2013) and will be addressed in the future.

micromechanics↗

Sources of Uncertainty in Ultrasonic Phase-Based Assessment of Interfacial Stiffness in Adhesive Joints

Quantitative nondestructive evaluation (NDE) of adhesive joint strength is critical for certifying fastener-free bonded aerospace structures. Unfortunately, available adhesive NDE approaches are only suitable for detecting gross defects and delamination and cannot reliably detect variations in strength in intact bonds. Intact (i.e., nominally defect free) bonds are challenging to inspect because they, by definition, contain no macroscopic defects that would produce a strong NDE signature. Even in the absence of obvious defects, however, bond strength can vary substantially due to factors such as contamination, variations in the adhesive cure processes, and environmental exposure. For ultrasonic bond inspections, the effect of interactions from an imperfect adhesive interface are subtle and may include changes in the frequency content or phase of the ultrasonic signal. The bond condition can be deduced from these subtle changes in the acoustic response using an accompanying physics-based model of adhesive joint interaction. For example, researchers have used the spring network adhesion model of Baik and Thompson [1] to determine the interfacial stiffness of the joint from its ultrasonic response (e.g., [2]). This interfacial stiffness metric describes the bonds resistance to separation between the adhesive and adherent and has shown a strong correlation with joint strength. In this study, interfacial stiffness is assessed using the ultrasonic phase change associated with bond interaction in varying bond conditions. The phase change is measured precisely using a phase-locked-loop instrument over a swept range of frequencies. The phase transition at resonance, where the bond thickness is half the acoustic wavelength, produces a unique signature with which to fit a physics-based model. Interfacial stiffness is determined by minimizing the difference between the theoretical and experimental phase response. Experimental results are presented for glass specimens bonded with aerospace adhesives and a sensitivity analysis is performed to examine the effects of parameters that may be uncertain in the industrial inspection environment – namely bond thickness, adhesive and adherent properties, and porosity. The results are a first step toward an uncertainty quantified version of the measurement technique, show correlation between interfacial stiffness and bond strength, and are another key step toward maturing this approach for use in complex materials and joint geometries. [1] Baik, J.M. and Thompson, R.B., 1984. “Ultrasonic scattering from imperfect interfaces: a quasi-static model”. Journal of Nondestructive Evaluation, 4. [2] Haldren, H.A., Perey, D.F., Yost, W.T., Cramer, K.E., and Gupta, M.C., 2019. “Swept-frequency ultrasonic phase evaluation of adhesive bonding in tri-layer structures”. Journal of the Acoustical Society of America, 145.

Matt Webster↗

An Asymptotically Compatible Coupling Formulation for Nonlocal Interface Problems with Jumps

Here, we introduce a mathematically rigorous formulation for a nonlocal interface problem with jumps and propose an asymptotically compatible finite element discretization for the weak form of the interface problem. After proving the well-posedness of the weak form, we demonstrate that solutions to the nonlocal interface problem converge to the corresponding local counterpart when the nonlocal data are appropriately prescribed. Several numerical tests in one and two dimensions show the applicability of our technique, its numerical convergence to exact nonlocal solutions, its convergence to the local limit when the horizons vanish, and its robustness with respect to the patch test.

97 MATHEMATICS AND COMPUTING↗

Simulation of solidification in a Bridgman cell

Bridgman-type crystal growth techniques are attractive methods for producing homogeneous, high-quality infrared detector and junction device materials. However, crystal imperfections and interface shapes still must be controlled through modification of the temperature and concentration gradients created during solidification. The objective of this investigation was to study the temperature fields generated by various cell and heatpipe configurations and operating conditions. Continuum's numerical model of the temperature, species concentrations, and velocity fields was used to describe the thermal characteristics of Bridgman cell operation.

Dakhoul, Y. M.↗

Interface potentials inside solid-state batteries: Origins and implications

Interface resistance has become a significant bottleneck for solid-state batteries (SSBs). Most studies of interface resistance have focused on extrinsic mechanisms such as interface reactions and imperfect contact between electrodes and solid electrolytes. Interface potentials are an important intrinsic mechanism that is often ignored. Here, we highlight Kelvin probe force microscopy (KPFM) as a tool to image the local potential at interfaces inside SSBs, examining the existing literature and discussing challenges in interpretation. Drawing analogies with electron transport in metal/semiconductor interfaces, we showcase a formalism that predicts intrinsic ionic resistance based on the properties of the contacting phases, and we emphasize that future battery designs should start from material pairs with low intrinsic resistance. Here, we conclude by outlining future directions in the study of interface potentials through both theory and experiment.

25 ENERGY STORAGE↗

Surface charge kinetics near metal-dielectric interfaces exposed to kilovolt electron flux

Interfaces between dielectric films and grounded metallic boundaries were exposed, in vacuum, to monoenergic electron fluxes having energies up to 22 keV. Two principal concerns were the measuring of the charge distributions on dielectrics and the determining of causes of flashovers, events where dielectric surface charges abruptly transfer to the metallic structures. Surface charges are perturbed within 10 mm of interfaces. Perturbations are relatively small except within about 3 mm of the interface. The probability of flashover was found to be related to microscopic imperfections in the interfaces. As flashovers occur in an exposed metal substrate, points become burned into the dielectric along the slit. As these points develop, the probability of flashover increases greatly. An interface which is highly immune to flashover was formed by covering a dielectric film with a 1.5-mm-thick aperture plate which exposes the film through a machined opening.

Robinson, J. W.↗

Exploring and Embracing Heterogeneity in Atomically Thin Energy Materials

Atomically thin semiconductors offer extraordinary opportunities for the manipulation of charge carriers, many-body optical excitations, quantum light emitters, and non-charge based quantum numbers. Confinement and reduced dielectric screening in these two-dimensional (2D) materials give rise to large characteristic energies so that many-body and quantum effects are important even at room temperature. Optical excitations in extended homogeneous areas have been investigated intensely, albeit mostly focusing on a limited set of materials, particularly transition metal dichalcogenides. Much less understood are light-matter interactions for other classes of 2D semiconductors, as well as effects that arise in heterogeneous materials, either near naturally occurring defects, impurities, edges and grain boundaries, or as a result of intentional interface formation in heterostructures. Addressing such systems experimentally involves significant challenges: Understanding the atomistic growth mechanisms of 2D semiconductors, so that novel systems with designed properties, specific ‘imperfections’, or controlled interfaces can be realized; and probing of local excitations at scales that match the relevant (micrometer to nanometer) length scales in heterogeneous materials. In this research project, we addressed these challenges by harnessing quantitative in-situ microscopy to study the growth of 2D and layered semiconductors and heterostructures, combined with local spectroscopic measurements of quasiparticles excited at the nanometer scale. An integral part of the research has been the development of novel experimental approaches, both for in-situ microscopy of synthesis and for nanometer-scale spectroscopy. In particular, advanced techniques were developed for cathodoluminescence in scanning transmission electron microscopy (STEM-CL) where a nanometer-focused electron beam is used to locally excite electron-hole pairs, excitons, as well as propagating hybrid light-matter modes such as exciton-polaritons. Experiments were guided and analyzed via computations of structure, chemistry, and excitation spectra. The particular materials focus has been on group IV chalcogenides, a family of less explored 2D/layered semiconductors whose diversity in crystal structure and properties promises access to novel materials architectures and the discovery of phenomena that can support emerging technology needs.

36 MATERIALS SCIENCE↗

A variational mimetic finite difference method for elliptic interface problems on non-matching polytopal meshes with geometric interface inconsistencies

A new variational mimetic finite difference method for elliptic interface problems with perfect and imperfect thermal contacts on non-matching polytopal meshes with geometric interface inconsistencies is developed and analyzed theoretically and numerically. The method is defined on multiple non-matching submeshes with gaps and overlaps along their interfaces. The discrete equations are derived from a minimization problem for the augmented Dirichlet functional. For a perfect thermal contact, the functional uses a modified mimetic gradient with extended stencil which couples unknowns from both sides of an interface, as well as penalty terms to enforce weak continuity of temperature across the interface. The method leads to a symmetric positive definite matrix for any scaling of the penalty terms. For an imperfect thermal contact, the Dirichlet functional is supplemented with a quadratic jump term along the interface related to the interface thermal resistance. We prove that the method conserves the total heat flux across each interface. In conclusion, the obtained results are verified with numerical experiments showing convergence in the discrete L 2 and L ∞ norms.

97 MATHEMATICS AND COMPUTING↗

Differentiable lagrangian shock hydrodynamics with application to stable shock acceleration of density interfaces

We develop a gradient based optimization approach for the equations of compressible, Lagrangian hydrodynamics and demonstrate how it can be employed to automatically uncover strategies to control hydrodynamic instabilities arising from shock acceleration of density interfaces. Strategies for controlling the Richtmyer-Meshkov instability (RMI) are of great benefit for inertial confinement fusion (ICF) where shock interactions with many small imperfections in the density interface lead to instabilities which rapidly grow over time. These instabilities lead to mixing which, in the case of laser driven ICF, quenches the runaway fusion process ruining the potential for positive energy return. Here, we demonstrate that control of these instabilities can be achieved by optimization of initial conditions with ( > 100) parameters. Optimizing over a large parameter space like this is not possible with gradient-free optimization strategies. This requires computation of the gradient of the outputs of a numerical solution to the equations of Lagrangian hydrodynamics with respect to the inputs. We show that the efficient computation of these gradients is made possible via a judicious application of (i) adjoint methods, the exact formal representation of sensitivities involving partial differential equations, and (ii) automatic differentiation (AD), the algorithmic calculation of derivatives of functions. Careful regularization of multiple operators including artificial viscosity and timestep control is required. We perform design optimization of > 100 parameter energy field driving the Richtmyer Meshkov instability showing significant suppression while simultaneously enhancing the acceleration of the interface relative to a nominal baseline case.

Hydrophysics↗

Strain-Modified Raman Responses in Monolayer MoS 2 Nanobubbles Resolved at 5 nm

The formation of nanoscale bubbles is an unavoidable consequence during the transfer of two-dimensional materials onto target substrates, driven by van der Waals interactions at the interface. While often viewed as imperfections, these nanoscale bubbles have garnered considerable scientific interest due to the substantial in-plane strain gradients they induce, which in turn give rise to a variety of intriguing optoelectronic effects, particularly in semiconducting transition metal dichalcogenides. Determining and analyzing the strain distribution within nanobubbles at the nanoscale is crucial for advancing our understanding of these underlying strain-induced effects. Here, we present a high-resolution scanning tunneling microscopy-based tip-enhanced Raman spectroscopic investigation of localized nanoscale strain distribution within the nanobubbles formed between monolayer MoS 2 and Au interface. By employing cryogenic temperature (78 K), we successfully differentiate the nanoscale Raman signatures between nanobubble edge and pristine MoS 2 . We verify a maximum tensile strain of ∽1.15–1.34% at the nanobubble edge, which gradually diminishes toward the center, yielding a cross-sectional strain profile consistent with a doughnut-shaped distribution. Furthermore, we report to achieve ∽5 nm spatial resolution in probing such edge-localized strain within the nanobubble. In addition, comparative average strain analysis of such MoS 2 nanobubbles is conducted via geometric mechanistic analysis such as membrane and nonlinear plate theories, providing key insight into the geometric nature near the bubble edge. Our work provide fundamental information about strain-induced nanoscale chemical understanding of 2D materials on the nanometer scale, paving the way for practical applications of nanobubbles in strain-engineered optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tool repairs tube components in situ

Two versions of a portable tool repair the seats of tube fittings and the flared ends of tubing. Each version operates on the principle of lapping to remove imperfections from tube and fitting interfacing surfaces.

Rush, R. E.↗

BOLT II Forebody Surface Measurement Analysis

Surface impression molds of the nosetip/forebody interface, discrete tripping elements, and other surface imperfections were formed on the BOLT II flight vehicle prior to its launch in March 2022. The silicon-rubber molds cast on the interface between the nickel nosetip and the stainless steel forebody were measured using a 3D optical measurement system and a stylus profilometer and were evaluated for step direction and height. The step around the nosetip/forebody interface was found to vary in both magnitude and direction, but values were generally modest with most samples below 60 μm across the span and only two samples, both cast in the gutter, with step values larger than 100 μm. Impressions of the secondary-side tripping elements were strictly scanned with the optical device and similar methods were used to calculate trip height as step height. The measured centerline trip height was 2623 ±12 μm, while the leading-edge, quadrant 2 and 3, trip heights were 897 ±5 μm and 891 ±18 μm, respectively. Surface imperfections on the nose and forebody were also evaluated. Surface roughness values and spectra were estimated, and profiles were extracted across the imperfections to quantify the magnitude of those features.

Trip height↗

Plasticity-mediated deformation instabilities in thin film-compliant substrate systems: direct three-dimensional simulations

Abstract Surface wrinkles driven by mechanical instability commonly form in thin-film structures attached to a compliant substrate. In this study, a recently developed computational approach is employed to simulate the formation and transformation of wrinkles involving plastic yielding of the thin film. The three-dimensional (3D) finite element models contain an embedded imperfection at the film-substrate interface, serving to trigger the bifurcation modes. Successful application of this technique to allow for film plasticity is demonstrated, including the evolution of 3D surface patterns and their correlation with the overall load–displacement response. The simulations reveal that plastic yielding transforms the surface instability patterns into more localized forms. Under uniaxial loading, the sinusoidal elastic wrinkles undergo the wrinkle-to-fold transition. With equi-biaxial loading, the initial square-checkerboard array turns into continuous tall ridges along the 45° directions. In both loading modes, the plasticity-induced instability patterns are only partially relieved upon unloading, leaving permanent features on the surface.

36 MATERIALS SCIENCE↗