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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Strain Engineering: Reduction of Microstrain at the Perovskite Surface via Alkali Metal Chloride Treatment Enhances Stability

Degradation of halide perovskites under a humid atmosphere is the major challenge preventing widespread commercial deployment of this material class. Here it is shown that strain engineering via alkali metal chloride treatment at the FAPbI 3 /SnO 2 interface effectively improves moisture-related stability. CsCl and KCl treatments reduce microstrain at the perovskite surface and slow the α- to δ-phase transformation. Alkali metal treatments with LiCl, NaCl, and RbCl led to an increase in microstrain and faster degradation. The compressive strain at the perovskite surface was the smallest for CsCl and was linked to improved stability. First-principles density functional theory calculations confirm the preferential formation of alkali defects at interstitial positions at the perovskite surface. Particularly CsCl and KCl treatments lead to a release of compressive strain at the perovskite surface and local structural distortions that may favor passivation of surface defects. In contrast, the room-temperature dynamics of Li interstitials result in an overall expansion of lattice volume, which may be linked to more facile lattice degradation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Strain release through hydrogen bond–mediated layer twisting

Strain engineering, enabling the precise control over structure and functional properties, is a key strategy for the design of advanced materials. However, the mechanisms governing strain evolution and release at the nanoscale remain largely unexplored. In this study, we leverage in situ heating transmission electron microscopy and synchrotron x-ray spectroscopy to investigate the strain relaxation pathways of boehmite (γ-AlOOH) at 575 kelvin by revealing real-time structural dynamics. Through tracking the moiré pattern evolution, we identify distinct strain release mechanisms, including layer twisting, defect formation, and domain restructuring. Our neural network potential calculations reveal that energy fluctuations at small twist angles are dominated by an interference-like interaction modulation of hydrogen bonds between boehmite interlayers, with metastable twisted structures corresponding to local minima of the potential energy landscape. This work establishes a previously unidentified paradigm of two-dimensional layer twisting mediated by hydrogen bonding, offering insights into strain-driven transformation mechanisms, and thus may have broad implications for strain in material and earth sciences.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Residual Stress Measurements in Extreme Environments for Hazardous, Layered Specimens

In nuclear fuel plates of low-enriched U-10Mo (LEU) clad with aluminum by hot isostatic pressing (HIP), post-irradiation stresses arising during reactor shutdown are a major concern for safe reactor operations. Measurement of those residual stresses has not previously been possible because the high radioactivity of the plates requires handling only by remote manipulation in a hot cell. The incremental slitting method for measuring through-thickness stress profiles was modified, and a system for automated, remote operation was built and tested. Experimental modifications consisted of replacing electric-discharge machining (EDM) with a small end mill and strain-gauge measurements with cantilever displacement measurements. The inverse method used to calculate stresses was the pulse-regularization method modified to allow discontinuities across material interfaces. The new system was validated by comparing with conventional slitting on a depleted U-10Mo (DU) fuel plate. The new system was applied to two measurements each on six as-fabricated (pre-irradiation) LEU miniature fuel plates. Variations between the measurements at two locations in the same plate were strongly correlated with measured geometrical heterogeneity in the plate—a tilt in the fuel foil. Compressive stresses in the U-10Mo were shown to increase from 20 to 250 MPa as the ratio of aluminum thickness to U-10Mo thickness increased causing increased constraint during cooling. Faster cooling rates during processing also increased stress magnitudes. The measurements trends agreed with data in the literature from similar plates made with DU, which further validates the method. Because other methods are impractical in a hot cell, the modified slitting method is now poised for the first measurements of post-irradiation stresses.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Carbon Kagome nanotubes—quasi-one-dimensional nanostructures with flat bands

In recent years, a number of bulk materials and heterostructures have been explored due their connections with exotic materials phenomena emanating from flat band physics and strong electronic correlation. The possibility of realizing such fascinating material properties in simple realistic nanostructures is particularly exciting, especially as the investigation of exotic states of electronic matter in wire-like geometries is relatively unexplored in the literature. Motivated by these considerations, we introduce in this work carbon Kagome nanotubes (CKNTs)—a new allotrope of carbon formed by rolling up Kagome graphene, and investigate this material using specialized first principles calculations. We identify two principal varieties of CKNTs—armchair and zigzag, and find both varieties to be stable at room temperature, based on ab initio molecular dynamics simulations. CKNTs are metallic and feature dispersionless states (i.e., flat bands) near the Fermi level throughout their Brillouin zone, along with an associated singular peak in the electronic density of states. We calculate the mechanical and electronic response of CKNTs to torsional and axial strains, and show that CKNTs appear to be more mechanically compliant than conventional carbon nanotubes (CNTs). Additionally, we find that the electronic properties of CKNTs undergo significant electronic transitions—with emergent partial flat bands and tilted Dirac points—when twisted. We develop a relatively simple tight-binding model that can explain many of these electronic features. We also discuss possible routes for the synthesis of CKNTs. Overall, CKNTs appear to be unique and striking examples of realistic elemental quasi-one-dimensional materials that may display fascinating material properties due to strong electronic correlation. Distorted CKNTs may provide an interesting nanomaterial platform where flat band physics and chirality induced anomalous transport effects may be studied together.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Anomalous Hall conductivity control in Mn 3⁢ NiN antiperovskite by epitaxial strain along the kagome plane

Antiferromagnetic manganese-based nitride antiperovskites, such as Mn 3 ⁢NiN, hold a triangular frustrated magnetic ordering, thanks to their kagome lattice formed by the Mn atoms along the (111) plane. As such, the magnetic frustration imposes a nontrivial interplay between the symmetric and asymmetric magnetic interactions, which can only reach equilibrium in a noncollinear magnetic configuration. Consequently, the associated electronic interactions and their possible tuning by external constraints, such as applied epitaxial strain, play a crucial role in defining the microscopic and macroscopic properties of such topological condensed matter systems. Here, in this paper, we explored and explained the effect of the epitaxial strain imposed within the (111) plane, in which the magnetic and crystallographic symmetry operations are kept fixed, and only the magnitude of the ionic and electronic interactions are tuned. We found a tangible enhancement in the anomalous Hall conductivity along the (111) plane ($σ^{AHE}_{111}$) for compression values, whereas, for tension, the AHC is dramatically reduced. As such, the $σ^{AHE}_{111}$ component fetches a maximum increase of 26%, with respect to the unstrained structure, for a compression value close to –1.5%. Our findings indicate a distinct correlation between the anomalous Hall conductivity and the Berry curvature along the (111) plane as a function of the strain. Finally, the nondivergent Berry curvature acts as the source and the strain as the control mechanism of this anomalous transport phenomenon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1978

An analytical study of thermal barrier coated first stage blades in a JT9D engine

Steady state and transient heat transfer and structural calculations were completed to determine the coating and base alloy temperatures and strains. Results indicate potential for increased turbine life using thin durable thermal barrier coatings on turbine airfoils due to a significant reduction in blade average and maximum temperatures, and alloy strain range. An intepretation of the analytical results is compared to the experimental engine test data.

Sevcik, W. R.↗
NASA NTRS1982

The stress system generated by an electromagnetic field in a suspension of drops

The stress generated in a suspension of drops in the presence of a uniform electric field and a pure straining motion, taking into account that the magnetohydrodynamic effects are dominant was calculated. It was found that the stress generated in the suspension depended on the direction of the applied electric field, the dielectric constants, the vicosity coefficients, the conductivities, and the permeabilities of fluids inside and outside the drops. The expression of the particle stress shows that for fluids which are good conductors and poor dielectrics, especially for larger drops, magnetohydrodynamic effects end to reduce the dependence on the direction of the applied electric field.

Erdogan, M. E.↗
NASA NTRS1983

Stress studies in EFG

A computer code which can account for plastic deformation effects on stress generated in silicon sheet grown at high speeds is fully operative. Stress and strain rate distributions are presented for two different sheet temperature profiles. The calculations show that residual stress levels are very sensitive to details of the cooling profile in a sheet with creep. Experimental work has been started in several areas to improve understanding of ribbon temperature profiles and stress distributions associated with a 10 cm wide ribbon cartridge system.

Source record↗
NASA NTRS1985

Rheology of glacier ice

A new method for calculating the stress field in bounded ice shelves is used to compare strain rate and deviatoric stress on the Ross Ice Shelf, Antarctica. The analysis shows that strain rate (per second) increases as the third power of deviatoric stress (in newtons/sq meter), with a constant of proportionality equal to 2.3 x 10 to the -25th.

Jezek, K. C.↗
NASA NTRS1984

Strain-energy release rate analysis of cyclic delamination growth in compressively loaded laminates

Delamination growth in compressively loaded composite laminates was studied analytically and experimentally. The configuration used was a laminate with an across-the-width delamination. An approximate super-position stress analysis was developed to quantify the effects of various geometric, material, and load parameters on mode 1 and mode 2 strain energy release rates G sub 1 and G sub 2, respectively. Calculated values of G sub 1 and G sub 2 were then compared with measured cyclic delamination growth rates to determine the relative importance of G sub 1 and G sub 2. High growth rates were observed only when G sub 1 was large. However, slow growth was observed even when G sub 1 was negligibly small. This growth was apparently due to a large value of G sub 2.

Whitcomb, J. D.↗
NASA NTRS1988

A constitutive model for an overlay coating

Coatings are frequently applied to gas turbine blades and vanes to provide protection against oxidation and corrosion. The results of an experimental and analytical study to develop a constitutive model for an overlay coating is presented. Specimens were machined from a hot isostatically pressed billet of PWA 286. The tests consisted of isothermal stress relaxation cycles with monotonically increasing maximum strain and were conducted at various temperatures. The results were used to calculate the constants for various constitutive models, including the classical, the Walker isotropic, a simplified Walker, and Stowell models. A computerized regression analysis was used to calculate model constants from the data. The best fit was obtained for the Walker model, with the simplified Walker and classical models close behind.

Nissley, D. M.↗
NASA NTRS1988

Measurements of coseismic deformation in southern California - 1972-1982

This paper compares records collected in the years 1972-1982 from two classes of instruments at Pinon Flat Observatory (PFO), southern California: the long-base-length (greater than 100 m) strain meters and tiltmeters described by Berger and Lovberg(1970) and Wyatt et al. (1982), respectively; and the short-base-length near-surface tiltmeters. It was found that the signals for static strain changes recorded by the long-base-length strain meters and tiltmeters are in good quantitative agreement with the deformation calculated for a dislocation in an elastic half-space. In contrast, colocated short-base-length tiltmeters produced spurious results, with signals much larger than the theoretical coseismic deformations computed using the U.S. Geological Survey/CalTech network; these signals correlated well with peak site acceleration.

Wyatt, Frank K.↗
NASA NTRS1992

A creep cavity growth model for creep-fatigue life prediction of a unidirectional W/Cu composite

A microstructural model was developed to predict creep-fatigue life in a (0)(sub 4), 9 volume percent tungsten fiber-reinforced copper matrix composite at the temperature of 833 K. The mechanism of failure of the composite is assumed to be governed by the growth of quasi-equilibrium cavities in the copper matrix of the composite, based on the microscopically observed failure mechanisms. The methodology uses a cavity growth model developed for prediction of creep fracture. Instantaneous values of strain rate and stress in the copper matrix during fatigue cycles were calculated and incorporated in the model to predict cyclic life. The stress in the copper matrix was determined by use of a simple two-bar model for the fiber and matrix during cyclic loading. The model successfully predicted the composite creep-fatigue life under tension-tension cyclic loading through the use of this instantaneous matrix stress level. Inclusion of additional mechanisms such as cavity nucleation, grain boundary sliding, and the effect of fibers on matrix-stress level would result in more generalized predictions of creep-fatigue life.

Kim, Young-Suk↗
NASA NTRS1993

Method and apparatus for determination of material residual stress

A device for the determination of residual stress in a material sample consisting of a sensor coil, adjacent to the material sample, whose resistance varies according to the amount of stress within the material sample, a mechanical push-pull machine for imparting a gradually increasing compressional and tensional force on the material sample, and an impedance gain/phase analyzer and personal computer (PC) for sending an input signal to and receiving an input signal from the sensor coil is presented. The PC will measure and record the change in resistance of the sensor coil and the corresponding amount of strain of the sample. The PC will then determine, from the measurements of change of resistance and corresponding strain of the sample, the point at which the resistance of the sensor coil is at a minimum and the corresponding value and type of strain of the sample at that minimum resistance point, thereby, enabling a calculation of the residual stress in the sample.

Chern, Engmin J.↗
NASA NTRS1993

Current capabilities for simulating the extreme distortion of thin structures subjected to severe impacts

The explicit transient dynamics technology in use today for simulating the impact and subsequent transient dynamic response of a structure has its origins in the 'hydrocodes' dating back to the late 1940's. The growth in capability in explicit transient dynamics technology parallels the growth in speed and size of digital computers. Computer software for simulating the explicit transient dynamic response of a structure is characterized by algorithms that use a large number of small steps. In explicit transient dynamics software there is a significant emphasis on speed and simplicity. The finite element technology used to generate the spatial discretization of a structure is based on a compromise between completeness of the representation for the physical processes modelled and speed in execution. That is, since it is expected in every calculation that the deformation will be finite and the material will be strained beyond the elastic range, the geometry and the associated gradient operators must be reconstructed, as well as complex stress-strain models evaluated at every time step. As a result, finite elements derived for explicit transient dynamics software use the simplest and barest constructions possible for computational efficiency while retaining an essential representation of the physical behavior. The best example of this technology is the four-node bending quadrilateral derived by Belytschko, Lin and Tsay. Today, the speed, memory capacity and availability of computer hardware allows a number of the previously used algorithms to be 'improved.' That is, it is possible with today's computing hardware to modify many of the standard algorithms to improve their representation of the physical process at the expense of added complexity and computational effort. The purpose is to review a number of these algorithms and identify the improvements possible. In many instances, both the older, faster version of the algorithm and the improved and somewhat slower version of the algorithm are found implemented together in software. Specifically, the following seven algorithmic items are examined: the invariant time derivatives of stress used in material models expressed in rate form; incremental objectivity and strain used in the numerical integration of the material models; the use of one-point element integration versus mean quadrature; shell elements used to represent the behavior of thin structural components; beam elements based on stress-resultant plasticity versus cross-section integration; the fidelity of elastic-plastic material models in their representation of ductile metals; and the use of Courant subcycling to reduce computational effort.

Key, Samuel W.↗
NASA NTRS1999

Progressive Failure Analysis Methodology for Laminated Composite Structures

A progressive failure analysis method has been developed for predicting the failure of laminated composite structures under geometrically nonlinear deformations. The progressive failure analysis uses C(exp 1) shell elements based on classical lamination theory to calculate the in-plane stresses. Several failure criteria, including the maximum strain criterion, Hashin's criterion, and Christensen's criterion, are used to predict the failure mechanisms and several options are available to degrade the material properties after failures. The progressive failure analysis method is implemented in the COMET finite element analysis code and can predict the damage and response of laminated composite structures from initial loading to final failure. The different failure criteria and material degradation methods are compared and assessed by performing analyses of several laminated composite structures. Results from the progressive failure method indicate good correlation with the existing test data except in structural applications where interlaminar stresses are important which may cause failure mechanisms such as debonding or delaminations.

Sleight, David W.↗
NASA NTRS2001

Dynamic Analysis of a Building Under Rocket Engine Plume Acoustic Load

Studies have been performed to develop finite-element modeling and simulation techniques to predict the dynamic structural response of Building 4010 to the acoustic load from the plume of high-thrust rocket motors. The building is the Test Control Center and general office space for the E-complex at Stennis Space Center. It is a large single span; light-structured building located approximately 1,000 feet from the E-1 test stand. A three-dimensional shell/beam combined model of the building was built using Pro/Engineer platform and imported into Pro/Mechanica for analysis. An Equivalent Shell technique was developed to simplify the highly complex building structure so that the calculation is more efficient and accurate. A deterministic approach was used for the dynamic analysis. A pre-stressed modal analysis was performed to simulate the weight stiffening of the structure, through which about 200 modes ranging from 0 to 35 Hz were identified. In an initial dynamic frequency analysis, the maximum response over the model was found. Then the complete 3-D distributions of the displacement, as well as the stresses, were calculated through a final frequency analysis. The results were compared to a strain gage and accelerometer recordings from rocket engine tests and showed reasonable agreement.

Qian, Z.↗