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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Anomalous polarization reversal in strained thin films of CuIn⁢P 2 ⁢S 6

Strain-induced transitions of polarization reversal in thin films of a ferrielectric CuIn⁢P 2 ⁢S 6 (CIPS) with ideally conductive electrodes are explored using the Landau-Ginzburg-Devonshire approach with an eighth-order free energy expansion in polarization powers. Due to multiple potential wells, the height and position of which are temperature and strain dependent, the energy profiles of CIPS can flatten in the vicinity of the nonzero polarization states. Thereby, we reveal an unusually strong effect of a mismatch strain on the out-of-plane polarization reversal, hysteresis loop shape, dielectric susceptibility, and piezoelectric response of CIPS films. By varying the sign of the mismatch strain and its magnitude in a fairly narrow range, quasistatic hysteresisless paraelectric curves can transform into double, triple, and other types of pinched and single hysteresis loops. The strain effect on the polarization reversal is opposite, i.e., anomalous, in comparison with many other ferroelectric films, for which the out-of-plane remanent polarization and coercive field increase strongly for tensile strains and decrease or vanish for compressive strains. For definite values of temperature and mismatch strain, the low-frequency hysteresis loops of polarization may exhibit negative slope in a relatively narrow range of external field amplitude and frequency. The low-frequency susceptibility hysteresis loops, which correspond to the negative slope of polarization loops, contain only positive values, which can be giant in the entire range of field changes. In conclusion, the corresponding piezoresponse also reaches giant values, being maximal near coercive fields.

Dielectric properties↗
DOE OSTI2023

Ultrastrong Ionotronic Films Showing Electrochemical Osmotic Actuation

Abstract A multifunctional soft material with high ionic and electrical conductivity, combined with high mechanical properties and the ability to change shape can enable bioinspired responsive devices and systems. The incorporation of all these characteristics in a single material is very challenging, as the improvement of one property tends to reduce other properties. Here, a nanocomposite film based on charged, high‐aspect‐ratio 1D flexible nanocellulose fibrils, and 2D Ti 3 C 2 T x MXene is presented. The self‐assembly process results in a stratified structure with the nanoparticles aligned in‐plane, providing high ionotronic conductivity and mechanical strength, as well as large water uptake. In hydrogel form with 20 wt% liquid, the electrical conductivity is over 200 S cm −1 and the in‐plane tensile strength is close to 100 MPa. This multifunctional performance results from the uniquely layered composite structure at nano‐ and mesoscales. A new type of electrical soft actuator is assembled where voltage as low as ±1 V resulted in osmotic effects and giant reversible out‐of‐plane swelling, reaching 85% strain.

Chemistry↗
DOE OSTI2021

Modeling Ti–6Al–4V using crystal plasticity, calibrated with multi-scale experiments, to understand the effect of the orientation and morphology of the α and β phases on time dependent cyclic loading

Classically, crystal plasticity modeling has used a range of constitutive equations, in which the incorporation of additional physics-based relationships typically results in additional model parameters. These additional parameters need to be reliably calibrated, which often necessitates the use of a range of experimental data acquired at multiple length scales. In this work, a crystal plasticity based finite element (CPFE) model for a dual-phase Titanium alloy, Ti–6Al–4V, is developed. The α and β phases of the microstructure are explicitly modeled. The model is calibrated using a systematic optimization routine and experimental data that consist of macroscopic stress-strain curves coupled with lattice strains on different crystallographic planes for the two phases. These experimental data were obtained from in situ high energy X-ray diffraction experiments for multiple material pedigrees, with varying crystallographic orientation distribution and β volume fractions. Depending on the thermomechanical-processing route and the heat treatment used to manufacture the alloy, Ti–6Al–4V can exist in a wide number of microstructural forms, which often results in the α and β phases either having well aligned slip systems (following the Burgers orientation relationship (BOR)) or possessing no alignment of the slip systems across the interphase boundary (not following the BOR). In this study, the fully-calibrated CPFE model is used to gain a comprehensive understanding of the deformation behavior of Ti–6Al–4V, specifically, the effect of microstructures that follow the BOR (or not) on time-dependent cyclic loading (including the effects of dwell hold times).

36 MATERIALS SCIENCE↗
DOE OSTI2026

Phase instability-coupled fracture behavior in garnet LLZO solid electrolytes: a machine learning-enabled atomistic study

Fracture in the garnet-type solid electrolyte Li 7 La 3 Zr 2 O 12 (LLZO) poses a critical threat to both the performance and safety of solid-state batteries. To unravel the coupled chemomechanical processes that govern fracture in LLZO under external loading, we carry out large-scale molecular-dynamics simulations with a validated machine-learning force field. Our results demonstrate that triaxial stresses at crack flanks trigger a localized cubic-to-tetragonal phase transformation, which is accompanied by Li-ion rearrangement. The emergent tetragonal domains feature lattice contraction normal to the fracture plane, imposing coherent misfit strains that provide an additional driving force for further crack propagation. Crucially, introducing Li deficiencies stabilizes the cubic phase, postponing the phase transition and thereby delaying fracture initiation. These findings highlight the role of intrinsic phase instability in dictating LLZO's fracture resistance and its critical connection to local Li concentration. This chemomechanical coupling points toward targeted strategies to enhance the mechanical robustness of garnet electrolytes, including tuning Li content, ensuring dopant homogeneity, and refining processing protocols.

Materials science↗
DOE OSTI2022

Computational discovery of two-dimensional rare-earth iodides: promising ferrovalley materials for valleytronics

Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter devices. These ferromagnetic materials exhibit valleys at or near the Fermi level with intrinsic magnetism. The strong coupling between magnetism and spin–orbit coupling induces intrinsic valley polarization. Using Kinetically Limited Minimization, an unconstrained crystal structure prediction algorithm, and prototype sampling based on first-principles calculations, we have discovered new Ferrovalley materials, rare-earth iodides RI 2 , where R is a rare-earth element belonging to Sc, Y, or La-Lu, and I is Iodine. The rare-earth iodides are layered and demonstrate either 2H, 1T, or 1T d phase as the ground state in bulk, analogous to transition metal dichalcogenides (TMDCs). The calculated exfoliation energy of monolayers (MLs) is comparable to that of graphene and TMDCs, suggesting possible experimental synthesis. The MLs in the 2H phase exhibit ferromagnetism due to unpaired electrons in d and f orbitals. Throughout the rare-earth series, d bands have valley polarization at K and $\overline{K}$ points in the Brillouin zone in the vicinity of the Fermi level. Large intrinsic valley polarization in the range of 15–143 meV without external stimuli is observed in these Ferrovalley materials, which can be enhanced further by applying an in-plane bi-axial strain. These valleys can selectively be probed and manipulated for information storage and processing, potentially offering superior performance beyond conventional electronics and spintronics. Here we further show that the 2H ferromagnetic phase of RI 2 MLs possesses non-zero Berry curvature and exhibits anomalous valley Hall effect with considerable anomalous Hall conductivity. Our work will incite exploratory synthesis of the predicted Ferrovalley materials and their application in valleytronics and beyond.

2D materials↗
NASA NTRS1978

Experimental investigation of the buckling characteristics of a beaded skin panel for a hypersonic aircraft - Including comparisons with finite element and classical analyses

Results of a compression test of a beaded panel intended for a proposed hypersonic aircraft are presented. The panel was tested to failure at room temperature to determine its buckling characteristics, in particular, to study the buckling caused by pure compression. The boundary conditions of the panel simulated as nearly as possible a wing mounted condition. Strain, out-of-plane deflection, and load data were measured, and elastic buckling strength as well as mode shapes of the panel were determined. Application of the moire technique is described.

Siegel, W. H.↗
NASA NTRS1984

Deformation measurements of composite multi-span beam shear specimens by Moire interferometry

Experimental analyses were performed for determination of in plane deformations and shear strains in unidirectional and quasi-isotropic graphite-epoxy beams. Forty-eight ply beams were subjected to 5 point and 3 point flexure. Whole field measurements were recorded at load levels from about 20% to more than 90% of failure loads. Contour maps of U and W displacement fields were obtained by moire interferometry, using reference gratings of 2400 lines/mm. Clearly defined fringes with fringe orders exceeding 1000 were obtained. Whole field contour maps of shear strains were obtained by a method developed for these tests. Various anomalous effects were detected in the displacement fields. Their analysis indicated excess shear strains in resin rich zones in regions of shear tractions; free edge shear strains in quasi-isotropic specimens in regions of normal stresses; and shear stresses associated with cyclic shear compliances of quasi-isotropic plies in regions of shear tractions. Their contributions could occur independently or in superposition. Qualitative analyses addressed questions of relaxation; influence of contact stress distribution; specimen failure; effect of specimen overhang; nonlinearity; and qualities of 5 and 3 point flexure tests.

Post, D.↗
NASA NTRS1993

Response of laminated composite plates to low-speed impact by airgun-propelled and dropped-weight impactors

An analytical procedure has been developed to determine the transient response of simply supported, rectangular laminated composite plates subjected to impact loads from airgun-propelled or dropped-weight impactors. A first-order shear-deformation theory has been included in the analysis to represent properly any local short-wavelength transient bending response. The impact force has been modeled as a locally distributed load with a cosine-cosine distribution. A double Fourier series expansion and the Timoshenko small increment method have been used to determine the contact force, out-of-plane deflections, and inplane strains and stresses at any plate location due to an impact force at any plate location. The results of experimental and analytical studies are compared for quasi-isotropic laminates. The results indicate the importance of including transverse shear deformation effects in the analysis for predicting the response of laminated plates subjected to both airgun-propelled and dropped-weight impactors. The results also indicate that plate boundary conditions influence the axial strains more significantly than the contact force for a dropped-weight impactor. The results of parametric studies identify a scaling approach based on impactor momentum that suggests an explanation for the differences in the responses of plates impacted by airgun-propelled or dropped-weight impactors.

Prasad, Chunchu B.↗
NASA NTRS2004

An Assessment of Variability in the Average Tensile Properties of a Melt-Infiltrated SiC/SiC Composite

Woven SiC/SiC Ceramic Matrix Composites (CMCs), manufactured by the slurry-cast, melt-infiltration process are under consideration as combustor liner materials in aircraft gas turbine engines. Tensile properties (elastic modulus, proportional limit strength, in-plane tensile strength and strain to failure) of the CMC, manufactured during two separate time periods (9/99 and 1/01) were determined at 816 and 1024 C by conducting tensile tests on specimens machined from the CMC plates. A total of 24 tensile tests were conducted for each temperature and CMC variant combination. In this study average tensile properties of the two cMC variants were statistically compared to evaluate significant differences, if any, within the CMC's properties.

Kalluri, Sreeramesh↗
NASA NTRS2004

Experimental Results From Stitched Composite Multi-Bay Fuselage Panels Tested Under Uni-Axial Compression

The experimental results from two stitched VARTM composite panels tested under uni-axial compression loading are presented. The curved panels are divided by frames and stringers into five or six bays with a column of three bays along the compressive loading direction. The frames are supported at the ends to resist out-of-plane translation. Back-to-back strain gages are used to record the strain and displacement transducers were used to record the out-of-plane displacements. In addition a full-field measurement technique that utilizes a camera-based-stero-vision system was used to record displacements. The panels were loaded in increments to determine the first bay to buckle. Loading was discontinued at limit load and the panels were removed from the test machine for impact testing. After impacting at 20 ft-lbs to 25 ft-lbs of energy with a spherical indenter, the panels were loaded in compression until failure. Impact testing reduced the axial stiffness 4 percent and less than 1 percent. Postbuckled axial panel stiffness was 52 percent and 70 percent of the pre-buckled stiffness.

Baker, Donald J.↗
NASA NTRS2005

Comparison of Elevated Temperature Tensile Properties and Fatigue Behavior of Two Variants of a Woven SiC/SiC Composite

Tensile properties (elastic modulus, proportional limit strength, in-plane tensile strength, and strain at failure) of two variants of a woven SiC/SiC composite, manufactured during two separate time periods (9/99 and 1/01), were determined at 1038 and 1204 C by conducting tensile tests on specimens machined from plates. Continuous cycling fatigue tests (R = 0.05) and 20 cpm) were also conducted at the same two temperatures on specimens from both composites. In this study, average tensile properties, 95% confidence intervals associated with the tensile properties, and geometric mean fatigue lives of both composite materials are compared. The observed similarities and differences in the tensile properties are highlighted and an attempt is made to understand the relationship, if any, between the tensile properties and the fatigue behaviors of the two woven composites.

Kalluri, Sreeramesh↗
NASA NTRS2005

Evaluation of a Compression-Loaded-Stitched-Multi-Bay Fuselage Panel With Barely Visible Impact Damage

The experimental results from a stitched VaRTM carbon-epoxy composite panel tested under uni-axial compression loading are presented along with nonlinear finite element analysis prediction of the response. The curved panel is divided by frames and stringers into six bays with a column of three bays along the compressive loading direction. The frames are supported at the frame ends to resist out-of-plane translation. Back-to-back strain gages are used to record the strain and displacement transducers were used to record the out-of-plane displacements. In addition a full-field-displacement measurement technique that utilizes a camera-based-stereo-vision system was used to record the displacements. The panel was loaded to 1.5 times the predicted initial buckling load (1st bay buckling load, P(sub er) from the nonlinear finite element analysis and then was removed from the test machine for impact testing. After impacting with 20 ft-lbs of energy using a spherical impactor to produce barely visible damage the panel was loaded in compression until failure. The buckling load of the first bay to buckle was 97% of the buckling load before impact. The stitching constrained the impact damage from growing during the loading to failure. Impact damage had very little overall effect on panel stiffness. Panel stiffness measured by the full-field-displacement technique indicated a 13% loss in stiffness after impact. The panel failed at 1.64 times the first panel buckling load. The barely visible impact damage did not grow noticeably as the panel failed by global instability due to stringer-web terminations at the frame locations. The predictions from the nonlinear analysis of the finite element modeling of the entire specimen were very effective in the capture of the initial buckling and global behavior of the panel. In addition, the prediction highlighted the weakness of the panel under compression due to stringer web terminations. Both the test results and the nonlinear predictions serve to reinforce the severe penalty in structural integrity caused by the low cost manufacturing technique to terminate the stringer webs, and demonstrates the importance of this type of sub-component testing and high fidelity failure analysis in the design of a composite fuselage.

Baker, Donald J.↗
NASA NTRS2006

Recent Results from Epitaxial Growth on Step Free 4H-SiC Mesas

This paper updates recent progress made in growth, characterization, and understanding of high quality homoepitaxial and heteroepitaxial films grown on step-free 4H-SiC mesas. First, we report initial achievement of step-free 4H-SiC surfaces with carbon-face surface polarity. Next, we will describe further observations of how step-free 4H-SiC thin lateral cantilever evolution is significantly impacted by crystal faceting behavior that imposes non-uniform film thickness on cantilever undersides. Finally, recent investigations of in-plane lattice constant mismatch strain relief mechanisms observed for heteroepitaxial growth of 3C-SiC as well as 2H-AlN/GaN heterofilms on step-free 4H-SiC mesas will be reviewed. In both cases, the complete elimination of atomic heterointerface steps on the mesa structure enables uniquely well-ordered misfit dislocation arrays to form near the heterointerfaces with remarkable lack of dislocations threading vertically into the heteroepilayers. In the case of 3C-SiC heterofilms, it has been proposed that dislocation half-loops nucleate at mesa edges and glide laterally along the step-free 3C/4H interfaces. In contrast, 3C-SiC and 2H-AlN/GaN heterofilms grown on 4H-SiC mesas with steps exhibit highly disordered interface misfit dislocation structure coupled with 100X greater density of dislocations threading through the thickness of the heteroepilayers. These results indicate that the presence of steps at the heteroepitaxial interface (i.e., on the initial heteroepitaxial nucleation surface) plays a highly important role in the defect structure, quality, and relaxation mechanisms of single-crystal heteroepitaxial films.

Neudeck, Philip G.↗
NASA NTRS1990

A mixed element for laminated plates and shells

Formulation and numerical evaluation of a simple shear-flexible four-noded quadrilateral laminated composite plate/shell finite-element is presented. The element developed is based on a generalized mixed variational principle with independently assumed displacement and laminate internal strain fields. For the latter, a layer-number-independent polynomial interpolation is utilized, together with a judicious selection of the in-plane (spanwise) distributions for the strain components. This was facilitated by the use of a set of bubble functions as additional kinematic degrees of freedom, which was shown to be crucial for eliminating the locking phenomenon. For dynamic applications, a simplified lumped mass matrix is employed. Finally, an extensive number of critical test cases are given to access the element's preformance and to illustrate its effectiveness in static as well as vibration problems for anisotropic laminated plates and shells.

Wilt, T. E.↗
DOE OSTI2024

Frustrated Ising charge correlations in the kagome metal ScV 6 Sn 6

Here we resolve the real-space nature of the high-temperature, short-range charge correlations in the kagome metal ScV 6 Sn 6 . Diffuse scattering appears along a frustrated wave vector q H = ($\frac{1}{3}, \frac{1}{3}, \frac{1}{2}$) at temperatures far exceeding the charge order T CO = 92 K, preempting long-range charge order with wave vectors along q$_{\bar{K}}$ = ($\frac{1}{3}, \frac{1}{3}, \frac{1}{3}$). Using a combination of real space and reciprocal space analysis, we resolve the nature of the interactions between the primary out-of-plane Sc-Sn chain instability and the secondary strain-mediated distortion of the in-plane V kagome network. Finally, a minimal model of the diffuse scattering data reveals a high-temperature, short-ranged "zig-zag" phase of in-plane correlations that maps to a frustrated triangular lattice Ising model with antiferromagnetic interactions and provides a real-space understanding of the origin frustrated charge order in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Interplay Between Strain and Thickness on the Effective Carrier Lifetime of Buffer-Mediated Epitaxial Germanium Probed by the Photoconductance Decay Technique

We report contactless effective minority carrier lifetime of epitaxially grown unstrained and in-plane <110> biaxially tensile-strained (001) germanium (..epsilon..-Ge) epilayers measured using microwave-reflectance photoconductance decay measurements. Strained Ge epilayers were grown using InxGa1-xAs linearly graded buffers on (001) GaAs substrates. Using homogeneous excitation of unstrained Ge epilayers, thickness-dependent separation of minority carrier lifetime components under low injection conditions yielded a bulk lifetime of 114 +/- 2 ns and low surface recombination velocity of 21.3 +/- 0.04 cm/s. More notably, an effective minority carrier lifetime of >100 ns obtained from sub-50 nm 1.6% tensile-strained Ge epilayers showed no degradation relative to the unstrained counterpart. Detailed material characterization using X-ray diffractometry revealed successful strain transfer of 0.61 and 0.89% to the Ge epilayers via InxGa1-xAs metamorphic buffers and confirms pseudomorphic growth. Lattice coherence observed at the e-Ge epilayer and InxGa1-xAs buffer heterointerfaces via transmission electron microscopy substantiates the prime material quality achieved. The relatively high carrier lifetimes achieved are an indicator of excellent material quality and provide a path forward to realize low-threshold Ge laser sources.

bulk lifetime↗
DOE OSTI2020

Viscometric flow of dense granular materials under controlled pressure and shear stress

This study examines the flow of dense granular materials under external shear stress and pressure using discrete element method simulations. In this method, the material is allowed to strain along all periodic directions and adapt its solid volume fraction in response to an imbalance between the internal state of stress and the external applied stress. By systematically varying the external shear stress and pressure, the steady rheological response is simulated for: (1) rate-independent quasi-static flow; and (2) rate-dependent inertial flow. The simulated flow is viscometric with non-negligible first and second normal stress differences. While both normal stress differences are negative in inertial flows, the first normal stress difference switches from negative to slightly positive, and second normal stress difference tends to zero in quasi-static flows. The first normal stress difference emerges from a lack of coaxiality between a second-rank contact fabric tensor and strain rate tensor in the flow plane, while the second normal stress difference is linked to an excess of contacts in the shear plane compared with the vorticity direction. A general rheological model of second order (in terms of strain rate tensor) is proposed to describe the two types of flow, and the model is calibrated for various values of interparticle friction from simulations on nearly monodisperse spheres. The model incorporates normal stress differences in both regimes of flow and provides a complete viscometric description of steady dense granular flows.

42 ENGINEERING↗