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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High temperature creep model development using in-situ 3-D DIC techniques during a simulated LOCA transient

In-situ strain measurements of fuel cladding can enable high-throughput data collection and validation to support accelerated qualification of cladding materials. Here, in this work, 3D digital image correlation was used to map strain for both Zircaloy-4 (Zry-4) and Cr-coated Zry-4 during two types of cladding rupture experiments: isobaric temperature ramp tests at 5 °C/s and isothermal pressure jump tests at 600 °C. Zry-4 strain data initially showed a temperature dependence expected for creep deformation, yet a shift to a new plastic deformation mechanism not reported in literature dominated during the finals seconds prior to rupture. Cr-coated Zry-4 did not show the change in deformation mechanism at the end of life and showed a delay in measurable creep deformation. Stress dependences were similar for Zry-4 and Cr/Zry-4 during pressure jump tests. Cr-coatings were found to decrease the strain rate during both testing scenarios. Creep parameters were calculated to support modelling efforts regarding design basis accidents.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Density Functional Theory Study of Controllable Optical Absorptions and Magneto-Optical Properties of Magnetic CrI 3 Nanoribbons: Implications for Compact 2D Magnetic Devices

A chromium triiodide (CrI 3 ) monolayer has an interesting ferromagnetic ground-state. In this work, we calculate band structures and magnetic moments of tensile-strained and bent zigzag CrI 3 nanoribbons with density functional theory. The edge iodine atoms form flat low-lying conduction bands and couple with chromium atoms ferromagnetically, while the non-edge iodine atoms weakly couple antiferromagnetically. Narrow CrI 3 nanoribbons have two locally stable magnetic moment orientations, namely out-of-plane and in-plane (along the nanoribbon periodic direction) configurations. This enables four magnetization states in CrI 3 nanoribbons, including two out-of-plane ones (up and down) and two in-plane ones (forward and backward along the nanoribbon periodical direction), increasing the operating controllability. Based on the one-dimensional Ising spin chain model, the spin correlation length of the narrow CrI 3 nanoribbon is estimated as about 10 Å at its estimated Curie temperature of 27 Kelvin, which is lower than the measured 45 Kelvin of the monolayer CrI 3 . The optical absorption and magneto-optical properties of CrI 3 nanoribbons are investigated with many-body perturbation GW-BSE (Bethe-Salpeter equation), including magnetic dichroism, Faraday and magneto-optical Kerr effects. Here, the low-energy dark excitons are mainly from transitions between electrons and holes with unlike spins and are non-Frenkel-like, while the bright excitons have mixed spin configurations. The intrinsic lifetime of excitons can be over one nanosecond, suitable for quantum information processes. Tensile strains and bending manifestly modulate the absorption spectra and magneto-optical properties of CrI 3 nanoribbons within a technologically important photon energy-range of ~1.0-2.0 eV. The CrI 3 nanoribbons can be used in 1D or 2D magnetic storage nanodevices, tunable magnetic optoelectronics, and spin-based quantum information controls.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A fully coupled thermal–microstructural–mechanical finite element process model for directed energy deposition additive manufacturing of Ti–6Al–4V

A fully coupled thermal–microstructural–mechanical finite element modelling framework is developed to investigate the distortion and residual stresses during directed energy deposition (DED) of multi-phase Ti–6Al–4V alloy. The Johnson–Cook constitutive model is used to predict the yield strength of each phase as a function of strain, strain rate and temperature where the flow stress is calculated by a linear mixing rule based on the volumetric phase fractions. A thin-walled rectangular sample is chosen as the reference geometry and the results are compared with experimentally measured in situ thermal history and distortion data, where a reasonable agreement is achieved. The proposed modelling framework with physics-based material constitutive model provides useful information for a better understanding of process–microstructure–property relations in additive manufacturing by DED.

Tunay, Merve↗
NASA NTRS1975

Application of experimental stress analysis techniques to speed ball bearings

The object of the project was to determine experimentally the stress distribution in cylindrically hollow and spherically hollow balls. Ball models several times actual bearing ball size were fabricated. Strain gage rosettes will be mounted on the outside and inside surfaces of the models at specific locations and orientations. The models were subjected to a range of static loads simulating actual ball-race contact loads experienced in high-speed bearings operating at DN values from 2 to 4 million. The strain gages were read, and the principal strains determined for each load setting. Principal stresses were calculated and dimensionless stress coefficients determined to permit the evaluation of stresses in hollow balls of any size and load of geometrically similar configuration.

Nypan, L. J.↗
NASA NTRS1979

Crack propagation in aluminum sheets reinforced with boron-epoxy

An analysis was developed to predict both the crack growth and debond growth in a reinforced system. The analysis was based on the use of complex variable Green's functions for cracked, isotropic sheets and uncracked, orthotropic sheets to calculate inplane and interlaminar stresses, stress intensities, and strain-energy-release rates. An iterative solution was developed that used the stress intensities and strain-energy-release rates to predict crack and debond growths, respectively, on a cycle-by-cycle basis. A parametric study was made of the effects of boron-epoxy composite reinforcement on crack propagation in aluminum sheets. Results show that the size of the debond area has a significant effect on the crack propagation in the aluminum. For small debond areas, the crack propagation rate is reduced significantly, but these small debonds have a strong tendency to enlarge. Debond growth is most likely to occur in reinforced systems that have a cracked metal sheet reinforced with a relatively thin composite sheet.

Roderick, G. L.↗
NASA NTRS1981

Numerical simulation of a compressible homogeneous, turbulent shear flow

A direct, low Reynolds number, numerical simulation was performed on a homogeneous turbulent shear flow. The full compressible Navier-Stokes equations were used in a simulation on the ILLIAC IV computer with a 64,000 mesh. The flow fields generated by the code are used as an experimental data base, to examine the behavior of the Reynols stresses in this simple, compressible flow. The variation of the structure of the stresses and their dynamic equations as the character of the flow changed is emphasized. The structure of the tress tensor is more heavily dependent on the shear number and less on the fluctuating Mach number. The pressure-strain correlation tensor in the dynamic uations is directly calculated in this simulation. These correlations are decomposed into several parts, as contrasted with the traditional incompressible decomposition into two parts. The performance of existing models for the conventional terms is examined, and a model is proposed for the 'mean fluctuating' part.

Feiereisen, W. J.↗
NASA NTRS1985

A survey of unified constitutive theories

The state of the art of time temperature dependent elastic viscoplastic constitutive theories which are based on the unified approach werre assessed. This class of constitutive theories is characterized by the use of kinetic equations and internal variables with appropriate evolutionary equations for treating all aspects of inelastic deformation including plasticity, creep, and stress relaxation. More than 10 such unified theories which are shown to satisfy the uniqueness and stability criteria imposed by Drucker's postulate and Ponter's inequalities are identified. The theories are compared for the types of flow law, kinetic equation, evolutionary equation of the internal variables, and treatment of temperature dependence. The similarities and differences of these theories are outlined in terms of mathematical formulations and illustrated by comparisons of theoretical calculations with experimental results which include monotonic stress-strain curves, cyclic hysteresis loops, creep and stress relaxation rates, and thermomechanical loops. Numerical methods used for integrating these stiff time temperature dependent constitutive equations are reviewed.

Chan, K. S.↗
NASA NTRS1990

Filament winding cylinders. III - Selection of the process variables

By using the Lee-Springer filament winding model temperatures, degrees of cure, viscosities, stresses, strains, fiber tensions, fiber motions, and void diameters were calculated in graphite-epoxy composite cylinders during the winding and subsequent curing. The results demonstrate the type of information which can be generated by the model. It is shown, in reference to these results, how the model, and the corresponding WINDTHICK code, can be used to select the appropriate process variables.

Lee, Soo-Yong↗
NASA NTRS1997

Creep Life Prediction of Ceramic Components Using the Finite Element Based Integrated Design Program (CARES/Creep)

The desirable properties of ceramics at high temperatures have generated interest in their use for structural applications such as in advanced turbine systems. Design lives for such systems can exceed 10,000 hours. Such long life requirements necessitate subjecting the components to relatively low stresses. The combination of high temperatures and low stresses typically places failure for monolithic ceramics in the creep regime. The objective of this work is to present a design methodology for predicting the lifetimes of structural components subjected to multiaxial creep loading. This methodology utilizes commercially available finite element packages and takes into account the time varying creep stress distributions (stress relaxation). In this methodology, the creep life of a component is divided into short time steps, during which, the stress and strain distributions are assumed constant. The damage, D, is calculated for each time step based on a modified Monkman-Grant creep rupture criterion. For components subjected to predominantly tensile loading, failure is assumed to occur when the normalized accumulated damage at any point in the component is greater than or equal to unity.

Jadaan, Osama M.↗
NASA NTRS1999

Modeling the Influence of Stitching on Delamination Growth in Stitched Warp-Knit Composite Lap Joints

The effect of stitches on the failure of a single lap joint configuration was determined in a combined experimental and analytical study. The experimental study was conducted to determine debond growth under static monotonic loading. The stitches were shown to delay the initiation of the debond and provide load transfer beyond the load necessary to completely debond the stitched lap joint. The strain energy release rates at the debond front were calculated using a finite element-based technique. Models of the unstitched configuration showed significant values of modes I and II across the width of the joint and showed that mode III is zero at the centerline but increases near the free edge. Models of the stitched configuration showed that the stitches effectively reduced mode I to zero, but had less of an effect on modes II and III.

Glaessgen, E. H.↗
NASA NTRS1999

Debonding of Stitched Composite Joints: Testing and Analysis

The effect of stitches on the failure of a single lap joint configuration was determined in a combined experimental and analytical study. The experimental study was conducted to determine debond growth under static monotonic loading. The stitches were shown to delay the initiation ofthe debond and provide load transfer beyond the load necessary to completely debond the stitched lap joint. The strain energy release rates at the debond front were calculated using a finite element-based technique. Models of the unstitched configuration showed significant values of modes I and II across the width of the joint and showed that mode III is zero at the centerline but increases near the free edge. Models of the stitched configuration showed that the stitches effectively reduced mode I to zero, but had less of an effect on modes II and III.

Glaessgen, E. H.↗
NASA NTRS1999

Delamination and Stitched Failure in Stitched Composite Joints

The effect of stitches on the failure of a single lap joint configuration was determined in a combined experimental and finite element study. The experimental program was conducted to determine debond growth under static monotonic loading. The stitches were shown to delay the initiation of the debond and provide load transfer beyond the load necessary to completely debond the stitched lap joint. The experimentally determined debond length vs. applied load was used as an input parameter in the finite element analysis of both configurations. The strain energy release rates at the debond from were calculated using plate finite elements. Nonlinear fastener elements were used to model the stitches and multipoint constraints were used to model the contact problem. Models of the unstitched configuration showed significant values of modes I and II across the width of the joint and showed that mode III is zero at the centerline but increases near the free edge. Models of the stitched configuration showed that the stitches were effective in reducing mode I to zero, but had less of an effect on modes II and III.

Glaessgen, E. H.↗
NASA NTRS2019

Improvements to an Explicit Algebraic Stress Model for Turbulent Jet Mixing Predictions

Modifications to key coefficients in a k − E based explicit algebraic stress model (EASM) are examined with the objective of improving the prediction of turbulent jet flows. The pressure strain coefficient, C2 and the turbulent diffusion coefficients, σk and σE were investigated. For a series of benchmark subsonic jets at heated and unheated conditions, lowering C2 from the default value of 0.36 to 0.10 resulted in a significant improvement in the jet mixing, when compared to experimental data. Changing σk and σE from default values of 1.00 and 1.4489, respectively, to 0.50 and 0.7244, respectively, improved the initial mixing rate, while reducing the farfield mixing rate and the peak turbulent kinetic energy along the centerline. A high-speed mixing layer was also investigated for performance of baseline and modified EASM coefficients, with similar results as for the jet cases. A flat plate boundary layer was briefly examined to determine the effects of changing the coefficients on the turbulent skin friction coefficient. The change to the pressure strain coefficient, C2 = 0.10 is recommended for future EASM calculation of jets flow; however, it is also recommended that the diffusion coefficients remain at their default values.

Turbulent Mixing↗
DOE OSTI2024

Robustness of magnetocrystalline anisotropy and coercivity in Fe–Co–B

As a potential candidate for critical chemical element free permanent magnet, (Fe 0.7 Co 0.3 ) 2 B, shows promising intrinsic magnetic properties, including large magnetization, high Curie temperature and moderate magnetocrystalline anisotropy (MCA). Still, the coercivity that has been achieved is relatively low. To understand and improve coercivity, here we study the robustness of MCA related to the fluctuation of chemical composition and the structural distortion and its effect on coercivity in (Fe 0.7 Co 0.3 ) 2 B from first principles DFT (density functional theory) calculation and micromagnetic simulation. A fluctuation of cobalt content of 10%, or 1% isotropic lattice strain, or 2% tetragonal distortion reduces MCA energy up to 30%. By considering randomly distributed local MCA energy reduction up to 30%, the calculated coercivity of anisotropic bulk magnets reduced from 3.6 kOe to 2.2 kOe. Rational microstructure design, such as grain size refinement and development of strong crystal texture of MCA easy-axis (i.e., degree of alignment for (Fe 0.7 Co 0.3 ) 2 B grains), can enhance coercivity and mitigate the effect of local MCA reduction. In addition to acceptable intrinsic magnetic properties, the promising hard magnetic phase needs good MCA robustness to facilitate the development of practical magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Diversity of Sordariales Fungi: Identification of Seven New Species of Naviculisporaceae Through Morphological Analyses and Genome Sequencing

Thanks to next-generation sequencing (NGS) technologies, the diversity of fungi can now be investigated through the analysis of their genome sequences. Naviculisporaceae is a family within the Sordariales, whose diversity is not well-known, with only one genome sequence published for this family. Here, we report on the isolation and cultivation of 20 new strains of Naviculisporaceae. Their genome sequences, as well as those of the five commercially available strains, were determined, thus providing complete genome sequences for 25 new Naviculisporaceae strains. Species delimitation was conducted using a combination of (1) ITS + LSU phylogenetic analysis of the new isolates along with other known species of the family, (2) comparisons between DNA barcode sequences of the new strains with those of the known species, and (3) average genome-wide nucleotide identity calculation. We built a phylogenomic tree and studied the organization of the mating-type locus. In vitro fruiting was obtained for 16 strains, enabling the definition of seven new species, namely Pseudorhypophila gallica, Pseudorhypophila guyanensis Rhypophila alpibus, Rhypophila brasiliensis, Rhypophila camarguensis, Rhypophila reunionensis and Rhypophila thailandica, as well as two new combinations, namely Pseudorhypophila latipes and Pseudorhypophila oryzae. Eight strains for which in vitro fruiting was not obtained may belong to additional new species. These results expand the known diversity of the Naviculisporaceae and greatly enlarge the genomic data available for the family.

Naviculisporaceae↗
NASA NTRS1993

Adjoint methods for aerodynamic wing design

A model inverse design problem is used to investigate the effect of flow discontinuities on the optimization process. The optimization involves finding the cross-sectional area distribution of a duct that produces velocities that closely match a targeted velocity distribution. Quasi-one-dimensional flow theory is used, and the target is chosen to have a shock wave in its distribution. The objective function which quantifies the difference between the targeted and calculated velocity distributions may become non-smooth due to the interaction between the shock and the discretization of the flowfield. This paper offers two techniques to resolve the resulting problems for the optimization algorithms. The first, shock-fitting, involves careful integration of the objective function through the shock wave. The second, coordinate straining with shock penalty, uses a coordinate transformation to align the calculated shock with the target and then adds a penalty proportional to the square of the distance between the shocks. The techniques are tested using several popular sensitivity and optimization methods, including finite-differences, and direct and adjoint discrete sensitivity methods. Two optimization strategies, Gauss-Newton and sequential quadratic programming (SQP), are used to drive the objective function to a minimum.

Grossman, Bernard↗
DOE OSTI2021

Machine learning for deep elastic strain engineering of semiconductor electronic band structure and effective mass

Abstract The controlled introduction of elastic strains is an appealing strategy for modulating the physical properties of semiconductor materials. With the recent discovery of large elastic deformation in nanoscale specimens as diverse as silicon and diamond, employing this strategy to improve device performance necessitates first-principles computations of the fundamental electronic band structure and target figures-of-merit, through the design of an optimal straining pathway. Such simulations, however, call for approaches that combine deep learning algorithms and physics of deformation with band structure calculations to custom-design electronic and optical properties. Motivated by this challenge, we present here details of a machine learning framework involving convolutional neural networks to represent the topology and curvature of band structures in k -space. These calculations enable us to identify ways in which the physical properties can be altered through “deep” elastic strain engineering up to a large fraction of the ideal strain. Algorithms capable of active learning and informed by the underlying physics were presented here for predicting the bandgap and the band structure. By training a surrogate model with ab initio computational data, our method can identify the most efficient strain energy pathway to realize physical property changes. The power of this method is further demonstrated with results from the prediction of strain states that influence the effective electron mass. We illustrate the applications of the method with specific results for diamonds, although the general deep learning technique presented here is potentially useful for optimizing the physical properties of a wide variety of semiconductor materials.

Tsymbalov, Evgenii↗
NASA NTRS1996

Stress and Damage in Polymer Matrix Composite Materials Due to Material Degradation at High Temperatures

This report describes analytical methods for calculating stresses and damage caused by degradation of the matrix constituent in polymer matrix composite materials. Laminate geometry, material properties, and matrix degradation states are specified as functions of position and time. Matrix shrinkage and property changes are modeled as functions of the degradation states. The model is incorporated into an existing composite mechanics computer code. Stresses, strains, and deformations at the laminate, ply, and micro levels are calculated, and from these calculations it is determined if there is failure of any kind. The rationale for the model (based on published experimental work) is presented, its integration into the laminate analysis code is outlined, and example results are given, with comparisons to existing material and structural data. The mechanisms behind the changes in properties and in surface cracking during long-term aging of polyimide matrix composites are clarified. High-temperature-material test methods are also evaluated.

McManus, Hugh L.↗