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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Kink band and shear band localization in anisotropic perfectly plastic solids

Shear-driven strain localization has been observed in a wide variety of materials and may take the form of shear bands or kink bands. Based on observations of kink bands in plastically anisotropic metallic nanolaminates and single crystal metals, here we posit that, for the specific case of isochoric deformation, the kinematics of kink band formation are indistinguishable from those of plane strain shear band formation. The only distinction between shear bands and kink bands in these systems would then be that kink bands ‘lock up’ at a particular value of material rotation while shear bands may progress to arbitrarily high strains. In order to investigate whether strong material anisotropy is sufficient to arrest shear localization at a geometry that matches the classic kink band geometry, we model the development of a band of simple shear within an anisotropic perfectly plastic material. The resulting analytical model provides the stress state needed to maintain the kinematics of simple shear as a function of material anisotropy, deformation band orientation, and shear strain (or equivalently, material rotation). It is found that plastic anisotropy can promote either kink band or shear band formation depending on the loading orientation. When the deviatoric stress is positive parallel to the plane of anisotropy, shear localization may progress without bound and a shear band is produced. When the deviatoric stress is negative parallel to the plane of anisotropy, shear localization is arrested after a certain material rotation, resulting in a kink band. Examination of the requisite applied stress state during kink band formation provides an explanation for the experimentally-observed ‘lock up’ geometry. Solutions for the band boundary inclination angle are obtained and used to provide bounds on permissible band angles for both shear bands and kink bands.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Cold air quench control of local crystallization environment in fully air-processed carbon-based perovskite solar cells

Carbon-based perovskite solar cells (C-PSCs) present a low-cost route to efficient photovoltaic technology. Gas quenching is an essential process commonly used for solvent extraction in scalable module fabrication using solution processes, but film quality remains highly sensitive to the localized environmental processing temperature, especially during intermediate phase transitions before perovskite film high temperature annealing. In this study, we introduce a cold air quench strategy to precisely control the local crystallization temperature that simultaneously promotes uniform crystallization and facilitates strain relaxation in fully air-processed C-PSCs. It is found that implementing dry air at 10 °C as the quenching gas yields a champion power conversion efficiency (PCE) of 20.52 %, with preferential (110) orientation and reduced, homogenized in-plane strain. This newly developed technique of a cost-effective low temperature air quenching process also enhances carrier lifetime, reduces interface recombination, and improves charge extraction. Furthermore, this work presents cold air quenching as a scalable, economic method to control perovskite crystallization and strain in C-PSC fabrication, advancing the industrial viability of high-performance perovskite modules.

14 SOLAR ENERGY↗
NASA NTRS1995

An extended structure-based model based on a stochastic eddy-axis evolution equation

We have proposed and implemented an extension of the structure-based model for weak deformations. It was shown that the extended model will correctly reduce to the form of standard k-e models for the case of equilibrium under weak mean strain. The realizability of the extended model is guaranteed by the method of its construction. The predictions of the proposed model were very good for rotating homogeneous shear flows and for irrotational axisymmetric contraction, but were seriously deficient in the case of plane strain and axisymmetric expansion. We have concluded that the problem behind these difficulties lies in the algebraic constitutive equation relating the Reynolds stresses to the structure parameters rather than in the slow model developed here. In its present form, this equation assumes that under irrotational strain the principal axes of the Reynolds stresses remain locked onto those of the eddy-axis tensor. This is correct in the RDT limit, but inappropriate under weaker mean strains, when the non-linear eddy-eddy interactions tend to misalign the two sets of principal axes and create some non-zero theta and gamma.

Kassinos, S. C.↗
DOE OSTI2026

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↗
NASA NTRS1975

Finite-element formulations for problems of large elastic-plastic deformation

An Eulerian finite element formulation is presented for problems of large elastic-plastic flow. The method is based on Hill's variational principle for incremental deformations, and is ideally suited to isotropically hardening Prandtl-Reuss materials. Further, the formulation is given in a manner which allows any conventional finite element program, for 'small strain' elastic-plastic analysis, to be simply and rigorously adapted to problems involving arbitrary amounts of deformation and arbitrary levels of stress in comparison to plastic deformation moduli. The method is applied to a necking bifurcation analysis of a bar in plane-strain tension. The paper closes with a unified general formulation of finite element equations, both Lagrangian and Eulerian, for large deformations, with arbitrary choice of the conjugate stress and strain measures. Further, a discussion is given of other proposed formulations for elastic-plastic finite element analysis at large strain, and the inadequacies of some of these are commented upon.

Mcmeeking, R. M.↗
DOE OSTI2021

Defect-Enabled Phase Programming of Transition Metal Dichalcogenide Monolayers

The ability to tune the local electronic transport properties of group VI transition metal dichalcogenide (TMD) monolayers by strain-induced structural phase transformations (“phase programming”) has stimulated much interest in the potential applications of such layers as ultrathin programmable and dynamically switchable nanoelectronics components. In this manuscript, we propose a new approach toward controlling TMD monolayer phases by employing macroscopic in-plane strains to amplify heterogeneous strains arising from tailored, spatially extended defects within the monolayer. Furthermore, the efficacy of our proposed approach is demonstrated via numerical simulations of emerging domains localized around arrays of holes, grain boundaries, and compositional heterointerfaces. Quantitative relations between the macroscopic strains required, spatial resolution of domain patterns, and defect configurations are developed. In particular, the introduction of arrays of holes is identified as the most feasible phase programming route.

2D materials↗
DOE OSTI2020

Facile and quantitative estimation of strain in nanobubbles with arbitrary symmetry in 2D semiconductors verified using hyperspectral nano-optical imaging

When layers of van der Waals materials are deposited via exfoliation or viscoelastic stamping, nanobubbles are sometimes created from aggregated trapped fluids. Though they can be considered a nuisance, nanobubbles have attracted scientific interest in their own right owing to their ability to generate large in-plane strain gradients that lead to rich optoelectronic phenomena, especially in the semiconducting transition metal dichalcogenides. Determination of the strain within the nanobubbles, which is crucial to understanding these effects, can be approximated using elasticity theory. However, the Föppl–von Kármán equations that describe strain in a distorted thin plate are highly nonlinear and often necessitate assuming circular symmetry to achieve an analytical solution. Here, we present an easily implemented numerical method to solve for strain tensors of nanobubbles with arbitrary symmetry in 2D crystals. The method only requires topographic information from atomic force microscopy and the Poisson ratio of the 2D material. We verify that this method reproduces the strain for circularly symmetric nanobubbles that have known analytical solutions. Finally, we use the method to reproduce the Grüneisen parameter of the E' mode for 1L-WS2 nanobubbles on template-stripped Au by comparing the derived strain with measured Raman shifts from tip-enhanced Raman spectroscopy, demonstrating the utility of our method for estimating localized strain in 2D crystals.

2D materials↗
NASA NTRS1990

The effect of hydrogen and microstructure on the deformation and fracture behavior of a single crystal nickel-base superalloy

A study was conducted on the effects of internal hydrogen and microstructure on the deformation and fracture of a single crystal nickel-base superalloy. In particular, room temperature plane strain fracture toughness and tensile tests were performed on hydrogen-free and hydrogen charged samples of PWA 1480. The role of microstructure was incorporated by varying the levels of porosity and eutectic gamma/gamma prime through hot isostatic pressing and heat treatment. The room temperature behavior of PWA 1480 was unusual because precipitate shearing was not the primary deformation mechanism at all strains. At strains over 1 percent, dislocations were trapped in the gamma matrix and an attempt was made to relate this behavior to compositional differences between PWA 1480 and other superalloys. Another unique feature of the tensile behavior was cleavage of the eutectic gamma/gamma prime, which is believed to initiate the failure process. Fracture occurred on (111) planes and is likely a result of shear localization along these planes. Elimination of the eutectic gamma/gamma prime greatly improved the tensile ductility, but pososity had no effect on tensile properties. Large quantities of hydrogen (1.74 at. percent) were gas-phase charged into the material, but surprisingly this was not a function of the amount of porosity or eutectic gamma/gamma prime present. Desorption experiments suggest that the vast majority of hydrogen is at reversible lattice trapping sites. This large, uniform concentration of hydrogen dramatically reduced the tensile strain to failure, but only slightly affected the reduction in area. Available hydrogen embrittlement models were examined in light of these results and it was found that the hydrogen enhanced localized plasticity model can explain much of the tensile behavior. K(IC) fracture toughness tests were conducted, but it was necessary to also perform J(IC) tests to provide valid data.

Walston, William S.↗
NASA NTRS1973

Variation of strain energy release rate with plate thickness

An analytical model of a through-thickness crack in a statically stretched plate is presented in which the crack front stress state is permitted to vary in the direction of the plate thickness. The amplitude or intensity of this stress field can be made nearly constant over a major portion of the interior crack front which is in a state of plane strain. The average amount of work available for extending a small segment of the crack across the thickness is associated with an energy release rate quantity in a manner similar to the two-dimensional Griffith crack model. The theoretically calculated energy release rate is shown to increase with increasing plate thickness, indicating that available work for crack extension is higher in a thicker plate.

Sih, G. C.↗
DOE OSTI2023

Real-Time Monitoring of Strain Accumulation and Relief during Epitaxy of Ultrathin Co Ferrite Films with Varied Co Content

Ultrathin Co x Fe 3-x O 4 films of high structural quality and with different Co content (x = 0.6–1.2) were prepared by reactive molecular beam epitaxy on MgO(001) substrates. Epitaxy of these ferrite films is extensively monitored by means of time-resolved (operando) X-ray diffraction recorded in out-of-plane geometry to characterize the temporal evolution of the film structure. The Co ferrite films show high crystalline ordering and smooth film interfaces independent of their Co content. All Co x Fe 3-x O 4 films exhibit enhanced compressive out-of-plane strain during the early stages of growth, which partly releases with increasing film thickness. When the Co content of the ferrite films increases, the vertical-layer distances increase, accompanied by slightly increasing film roughnesses. The latter result is supported by surface-sensitive low-energy electron diffraction as well as X-ray reflectivity measurements on the final films. In contrast, the substrate–film interface roughness decreases with increasing Co content, which is confirmed with X-ray reflectivity measurements. In addition, the composition and electronic structure of the ferrite films is characterized by means of hard X-ray photoelectron spectroscopy performed after film growth. The experiments reveal the expected increasing Fe 3+ /Fe 2+ cation ratios for a higher Co content.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Application of the variational-asymptotical method to composite plates

A method is developed for the 3D analysis of laminated plate deformation which is an extension of a variational-asymptotical method by Atilgan and Hodges (1991). Both methods are based on the treatment of plate deformation by splitting the 3D analysis into linear through-the-thickness analysis and 2D plate analysis. Whereas the first technique tackles transverse shear deformation in the second asymptotical approximation, the present method simplifies its treatment and restricts it to the first approximation. Both analytical techniques are applied to the linear cylindrical bending problem, and the strain and stress distributions are derived and compared with those of the exact solution. The present theory provides more accurate results than those of the classical laminated-plate theory for the transverse displacement of 2-, 3-, and 4-layer cross-ply laminated plates. The method can give reliable estimates of the in-plane strain and displacement distributions.

Hodges, Dewey H.↗
DOE OSTI2025

Enhanced MPM framework with multipatch isogeometric analysis for geotechnical applications

Achieving stable stress solutions at large strains using the Material Point Method (MPM) is challenging due to the accumulation of errors associated with geometry discretization, cell-crossing noise, and volumetric locking. Several simplified attempts exist in the literature to mitigate these errors, including higher-order frameworks. However, the stability of the MPM solution in such frameworks has been limited to simple geometries and the single-phase formulation (i.e., neglecting pore fluid). Although never explored, multipatch isogeometric analysis offers desirable qualities to simulate complex geometries while mitigating errors in the MPM. The degree of required high-order spatial integration has also never been investigated to infer a minimum limit for the stability of the stress solution in MPM. This paper presents a general-purpose numerical framework for simulating stable stresses in porous media, capturing both near incompressibility and multiphase interactions. First, the numerical framework is presented considering Non-Uniform Rational B-splines (NURBS) to perform isogeometric analysis (IGA) in MPM. Additionally, a volumetric strain smoothing algorithm is used to alleviate errors associated with volumetric locking. Second, the manifestation of cell-crossing errors is assessed via a series of problems with orders ranging from linear to cubic interpolation functions. Third, the use of NURBS is investigated and verified for problems with circular geometries. Finally, multipatch analysis is deployed to simulate plane strain and 3D penetration in soils, considering nearly incompressible elastoplastic (total stress) analysis and fully-coupled hydro-mechanical (effective stress) analysis. The stability of the solution is also analyzed for different constitutive models. From the results, it can be concluded that the framework using cubic interpolation functions with strain smoothing is the most convenient, presenting stable stress solutions for a broad range of multiphase geotechnical applications.

58 GEOSCIENCES↗
NASA NTRS1990

Piezoelectrically forced vibrations of electroded doubly rotated quartz plates by state space method

The purpose of this investigation is to develop an analytical method to study the vibration characteristics of piezoelectrically forced quartz plates. The procedure can be summarized as follows. The three dimensional governing equations of piezoelectricity, the constitutive equations and the strain-displacement relationships are used in deriving the final equations. For this purpose, a state vector consisting of stresses and displacements are chosen and the above equations are manipulated to obtain the projection of the derivative of the state vector with respect to the thickness coordinate on to the state vector itself. The solution to the state vector at any plane is then easily obtained in a closed form in terms of the state vector quantities at a reference plane. To simplify the analysis, simple thickness mode and plane strain approximations are used.

Chander, R.↗
NASA NTRS1985

Strain energy release rate determination of stress intensity factors by finite element methods

The stiffness derivative finite element technique is used to determine the Mode I stress intensity factors for three-crack configurations. The geometries examined include the double edge notch, single edge notch, and the center crack. The results indicate that when the specified guidelines of the Stiffness Derivative Method are used, a high degree of accuracy can be achieved with an optimized, relatively coarse finite element mesh composed of standard, four-node, plane strain, quadrilateral elements. The numerically generated solutions, when compared with analytical ones, yield results within 0.001 percent of each other for the double edge crack, 0.858 percent for the single edge crack, and 2.021 percent for the center crack.

Walsh, R. M., Jr.↗
NASA NTRS1973

Cyclic deformation at a crack tip and its correlation with fatigue crack propagation

Results of measurements of fatigue crack growth and the cyclic surface strains near crack tips in 2024-T351 aluminum alloy for two plate thicknesses and two stress ratios. It is shown that crack tip necking complicates cyclic deformation. In this case, crack growth rate not only reflects the material property, but is also affected by specimen geometry. It is concluded that for general material evaluation it is more desirable to use a specimen thick enough so that the condition of plane strain prevails.

Kang, T. S.↗
NASA NTRS2003

Residual Strength Analyses of Monolithic Structures

Finite-element fracture simulation methodology predicts the residual strength of damaged aircraft structures. The methodology uses the critical crack-tip-opening-angle (CTOA) fracture criterion to characterize the fracture behavior of the material. The CTOA fracture criterion assumes that stable crack growth occurs when the crack-tip angle reaches a constant critical value. The use of the CTOA criterion requires an elastic- plastic, finite-element analysis. The critical CTOA value is determined by simulating fracture behavior in laboratory specimens, such as a compact specimen, to obtain the angle that best fits the observed test behavior. The critical CTOA value appears to be independent of loading, crack length, and in-plane dimensions. However, it is a function of material thickness and local crack-front constraint. Modeling the local constraint requires either a three-dimensional analysis or a two-dimensional analysis with an approximation to account for the constraint effects. In recent times as the aircraft industry is leaning towards monolithic structures with the intention of reducing part count and manufacturing cost, there has been a consistent effort at NASA Langley to extend critical CTOA based numerical methodology in the analysis of integrally-stiffened panels.In this regard, a series of fracture tests were conducted on both flat and curved aluminum alloy integrally-stiffened panels. These flat panels were subjected to uniaxial tension and during the test, applied load-crack extension, out-of-plane displacements and local deformations around the crack tip region were measured. Compact and middle-crack tension specimens were tested to determine the critical angle (wc) using three-dimensional code (ZIP3D) and the plane-strain core height (hJ using two-dimensional code (STAGS). These values were then used in the STAGS analysis to predict the fracture behavior of the integrally-stiffened panels. The analyses modeled stable tearing, buckling, and crack branching at the integral stiffener using different values of critical CTOA for different material thicknesses and orientation. Comparisons were made between measured and predicted load-crack extension, out-of-plane displacements and local deformations around the crack tip region. Simultaneously, three-dimensional capabilities to model crack branching and to monitor stable crack growth of multiple cracks in a large thick integrally-stiffened flat panels were implemented in three-dimensional finite element code (ZIP3D) and tested by analyzing the integrally-stiffened panels tested at Alcoa. The residual strength of the panels predicted from STAGS and ZP3D code compared very well with experimental data. In recent times, STAGS software has been updated with new features and now one can have combinations of solid and shell elements in the residual strength analysis of integrally-stiffened panels.

Forth, Scott↗
NASA NTRS1985

Finite element analysis of thermal barrier coatings

The near-term objective is to develop an understanding of the states of stresses and strains in a Zirconia-yttria thermal barrier coating (TBC) experiencing a given temperature drop. Results so obtained are expected to facilitate experimental work. In order to gain realistic insights into the distribution of stresses and strains in a complex TBC, the finite element approach was selected to model a cylindrical TBC specimen. Experimental evidence reported in the literature indicated the presence of rough interface between the ceramic coat and bond coat. Oxidation of the bond coat at ceramic-bond interface was observed, as was a small amount of cracking in the ceramics near the ceramic-bond interface. To account for these complex features, a plane-strain finite element computer program known as TBCOC was developed, taking advantage of a generic computer code known as MARC. This generic code was made available through the use of a supercomputer (Cray 1). The TBCOC model contains 1316 nodal points and 2140 finite elements. It is capable of a uniform isothermal loading. Results of a sample computer run are presented.

Chang, G. C.↗
DOE OSTI2021

Low-voltage magnetoelectric coupling in membrane heterostructures

Strain-mediated magnetoelectric (ME) coupling in ferroelectric (FE)/ferromagnetic (FM) heterostructures offers a unique opportunity for both fundamental scientific research and low-power multifunctional devices. Relaxor-FEs, such as (1-x)Pb(Mg 1/3 Nb 2/3 )O 3 -(x)PbTiO 3 (PMN-xPT), are ideal FE layer candidates because of their giant piezoelectricity. However, thin films of PMN-PT suffer from substrate clamping, which substantially reduces piezoelectric in-plane strains. Here, we demonstrate low-voltage ME coupling in an all-thin-film heterostructure that uses the anisotropic strains induced by the (011) orientation of PMN-PT. We completely remove PMN-PT films from their substrate and couple with FM Ni overlayers to create membrane PMN-PT/Ni heterostructures showing 90° Ni magnetization rotation with 3 V PMN-PT bias, much less than the bulk PMN-PT ~100-V requirement. Scanning transmission electron microscopy and phase-field simulations clarify the membrane response. These results provide a crucial step toward understanding the microstructural behavior of PMN-PT thin films for use in piezo-driven ME heterostructures.

36 MATERIALS SCIENCE↗