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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Inhibiting Brittle Intermetallic Layer in Magnesium/Aluminum Bimetallic Castings via In Situ Formation of Mg{sub 2}Si Phase

A quasi-continuous Mg{sub 2}Si layer is formed in situ at the magnesium/aluminum interface of bimetallic castings, by selecting a Si-containing aluminum alloy and overcasting process control. This effectively inhibits the formation of brittle intermetallic compounds (Al{sub 3}Mg{sub 2}, Al{sub 12}Mg{sub 17}) during the casting process, and the mechanisms are discussed based on phase diagram calculations and experimental validation. It is, thus, recommended to select Si-containing Al alloys as substrate for Mg/Al bimetallic castings.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Achieving high strength and ductility in traditionally brittle soft magnetic intermetallics via additive manufacturing

Intermetallic alloys possess exceptional soft magnetic properties, including high permeability, low coercivity, and high saturation induction, but exhibit poor mechanical properties that make them impractical to bulk process and use at ideal compositions. We used laser-based Additive Manufacturing to process traditionally brittle Fe–Co and Fe–Si alloys in bulk form without macroscopic defects and at near-ideal compositions for electromagnetic applications. The binary Fe–50Co, as a model material, demonstrated simultaneous high strength (600–700 MPa) and high ductility (35%) in tension, corresponding to a ~300% increase in strength and an order-of-magnitude improvement in ductility relative to conventionally processed material. Atomic-scale toughening and strengthening mechanisms, based on engineered multiscale microstructures, are proposed to explain the unusual combination of mechanical properties. Here, this work presents an instance in which metal Additive Manufacturing processes are enabling, rather than limiting, the development of higher-performance alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2020

FFT-based solver for higher-order and multi-phase-field fracture models applied to strongly anisotropic brittle materials

This paper presents the application of a fast Fourier transform (FFT) based method to solve two phase field models designed to simulate crack growth of strongly anisotropic materials in the brittle regime. By leveraging the ability of the FFT-based solver to generate solutions with higher-order and global continuities, we design two simple algorithms to capture the complex fracture patterns (e.g. sawtooth, and curved crack growth) common in materials with strongly anisotropic surface energy via the multi-phase-field and high-order phase-field frameworks. A staggered operator-split solver is used where both the balance of linear momentum and the phase field governing equations are formulated in the periodic domain. The unit phase field of the initial failure region is prescribed by the penalty method to alleviate the sharp material contrast between the initial failure region and the base material. The discrete frequency vectors are generalized to estimate the second and fourth order gradients such that the Gibbs effect near shape interfaces or jump conditions can be suppressed. Furthermore, a preconditioner is adopted to improve the convergence rate of the iterative linear solver. Three numerical experiments are used to systematically compare the performance of the FFT-based method in the multi-phase-field and high-order phase-field frameworks.

42 ENGINEERING↗
DOE OSTI2020

Accelerating high-strain continuum-scale brittle fracture simulations with machine learning

Failure in brittle materials under dynamic loading conditions is a result of the propagation and coalescence of microcracks. Simulating this discrete crack evolution at the continuum level is computationally expensive or, in some cases, intractable, resulting in the need to make broad assumptions or neglect key physics. In this work, we have developed an approach using machine learning that overcomes the current inability to represent meso-scale physics at the macro-scale. Our approach leverages damage and stress data from a computationally expensive high-fidelity model that explicitly resolves microcrack behavior to build an inexpensive machine learning emulator. Once trained, the machine learning emulator is used to predict the evolution of crack length statistics, which then informs a continuum-scale constitutive model. This results in a significant speed-up of the workflow by four orders of magnitude. Both the machine learning emulator and the continuum-scale model are validated against the high-fidelity model and experimental data, respectively, showing excellent agreement. There are two key findings. The first is that we can reduce the dimensionality of the problem, establishing that the machine learning emulator only needs the length of the longest crack and one of the maximum stress components to capture the necessary physics. Another compelling finding is that the emulator can be trained in one experimental setting and transferred successfully to predict behavior in a different setting.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modeling brittle fracture due to anisotropic thermal expansion in polycrystalline materials

Here, this work investigated brittle fracture of polycrystalline materials due to thermal stresses arising from anisotropic thermal expansion. We used phase-field fracture simulations with the properties of alpha-uranium (α-U) and assumed a linear elastic mechanical response. Three-dimensional simulations were used to predict fracture for various conditions and crystallographic textures. We found that fracture was more pronounced during cooling than during heating because the anisotropy increased with temperature. We also found that the total crack surface area increased with increasing average misorientation, while the net shape change of the material decreased with increasing misorientation. Two-dimensional simulations in which one crystallographic coefficient of thermal expansion (CTE) was set to zero indicated that the expansion behavior in the crystallographic direction with the smallest CTE was the primary cause of fracture.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Uncertainty bounds for multivariate machine learning predictions on high-strain brittle fracture

Simulation of the crack network evolution on high strain rate impact experiments performed in brittle materials is very compute-intensive. The cost increases even more if multiple simulations are needed to account for the randomness in crack length, location, and orientation, which is inherently found in real-world materials. Constructing a machine learning emulator can make the process faster by orders of magnitude. There has been little work, however, on assessing the error associated with their predictions. Estimating these errors is imperative for meaningful overall uncertainty quantification. In this work, we extend the heteroscedastic uncertainty estimates to bound a multiple output machine learning emulator. Overall, we find that the response prediction is accurate within its predicted errors, but with a somewhat conservative estimate of uncertainty.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A Unified Cohesive Zone Approach to Model Ductile Brittle Transition in Reactor Pressure Vessel Steels

In this study, a unified cohesive zone model has been proposed to predict, Ductile to Brittle Transition, DBT, in Reactor Pressure Vessel, RPV, steels. A general procedure is described to obtain the Cohesive Zone Model, CZM, parameters for the different temperatures and fracture probabilities. In order to establish the full master-curve, the procedure requires three calibration points with one at the upper-shelf for ductile fracture and two for the fracture probabilities, Pf, of 5% and 95% at the lower-shelf. In the current study, these calibrations were carried out by utilizing the experimental fracture toughness values and flow curves. After the calibration procedure, the simulations of fracture behavior (ranging from completely unstable to stable crack extension behavior) in one inch thick compact tension specimens at different temperatures yielded values that were comparable to the experimental fracture toughness values, indicating the viability of such unified modeling approach.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Brittle failure of rock: A review and general linear criterion

A failure criterion typically is phenomenological since few models exist to theoretically derive the mathematical function. Indeed, a successful failure criterion is a generalization of experimental data obtained from strength tests on specimens subjected to known stress states. For isotropic rock that exhibits a pressure dependence on strength, a popular failure criterion is a linear equation in major and minor principal stresses, independent of the intermediate principal stress. A general linear failure criterion called Paul-Mohr-Coulomb (PMC) contains all three principal stresses with three material constants: friction angles for axisymmetric compression $\phi$ c and extension $\phi$ e and isotropic tensile strength V 0 . PMC provides a framework to describe a nonlinear failure surface by a set of planes “hugging” the curved surface. Brittle failure of rock is reviewed and multiaxial test methods are summarized. Equations are presented to implement PMC for fitting strength data and determining the three material parameters. A piecewise linear approximation to a nonlinear failure surface is illustrated by fitting two planes with six material parameters to form either a 6- to 12-sided pyramid or a 6- to 12- to 6-sided pyramid. Finally, the particular nature of the failure surface is dictated by the experimental data.

58 GEOSCIENCES↗
DOE OSTI2018

A brittle fracture mechanism in thermally aged duplex stainless steels revealed by in situ high-energy X-ray diffraction

A direct relationship between the microstructural evolution and macroscopic fracture behaviors of a thermally aged (at 475 °C for 400 h) duplex stainless steel (DSS) has been established with experimental results from atom probe tomography (APT), nanoindentation and in situ synchrotron-based high-energy X-ray diffraction (HE-XRD). Furthermore, the APT experiments demonstrate that ferrite in DSS spinodally decomposes into Cr-enriched and Cr-depleted domains during thermal aging, which leads to a severe hardening effect in ferrite. The lattice strain development during deformation acquired with the in situ HE-XRD measurements confirms the cleavage fracture of α{110} and α{200} ferrite grains aligned perpendicular to loading direction. The thermally aged DSS can be readily fractured by connecting the cleavage cracks in ferrite. Conclusively, the spinodal-decomposition-induced hardening in ferrite and the premature failure of ferrite control the final brittle fracture in the aged DSS.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Polystyrene Glasses under Compression: Ductile and Brittle Responses

Polystyrene of different molecular weights and their binary mixtures are studied in terms of their various mechanical responses to uniaxial compression at different temperatures. PS of Mw = 25 kg/mol is completely brittle until it is above its glass transition temperature Tg. In contrast, upon incorporation of a high molecular weight component, PS mixtures turn from barely ductile a few degrees below its Tg to ductile over 40 below Tg. In the upper limit, a PS of Mw = 319 kg/mol yields and undergoes plastic flow, even at T = 70 C. The observed dependence of mechanical responses on molecular weight and molecular weight distribution can be adequately rationalized by the idea that yielding and plastic compression are caused by chain networking.

36 MATERIALS SCIENCE↗
DOE OSTI2021

StressNet - Deep learning to predict stress with fracture propagation in brittle materials

Abstract Catastrophic failure in brittle materials is often due to the rapid growth and coalescence of cracks aided by high internal stresses. Hence, accurate prediction of maximum internal stress is critical to predicting time to failure and improving the fracture resistance and reliability of materials. Existing high-fidelity methods, such as the Finite-Discrete Element Model (FDEM), are limited by their high computational cost. Therefore, to reduce computational cost while preserving accuracy, a deep learning model, StressNet, is proposed to predict the entire sequence of maximum internal stress based on fracture propagation and the initial stress data. More specifically, the Temporal Independent Convolutional Neural Network (TI-CNN) is designed to capture the spatial features of fractures like fracture path and spall regions, and the Bidirectional Long Short-term Memory (Bi-LSTM) Network is adapted to capture the temporal features. By fusing these features, the evolution in time of the maximum internal stress can be accurately predicted. Moreover, an adaptive loss function is designed by dynamically integrating the Mean Squared Error (MSE) and the Mean Absolute Percentage Error (MAPE), to reflect the fluctuations in maximum internal stress. After training, the proposed model is able to compute accurate multi-step predictions of maximum internal stress in approximately 20 seconds, as compared to the FDEM run time of 4 h, with an average MAPE of 2% relative to test data.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Heterogeneous doping via nanoscale coating impacts the mechanics of Li intrusion in brittle solid electrolytes

Lithium dendrite intrusion in solid-state batteries limits fast charging and causes short-circuiting, yet the underlying regulating mechanisms are not well-understood. Here, in this work, we discover that heterogeneous Ag + doping dramatically affects lithium intrusion into Li 6.6 La 3 Zr 1.6 Ta 0.4 O 12 (LLZO), a brittle solid electrolyte. Nanoscale Ag + doping is achieved by thermally annealing a 3-nm-thick metallic coating on LLZO, inducing Ag–Li ion exchange and Ag diffusion into grains and grain boundaries. Density functional theory calculations and experimental characterization show negligible impact on the electronic properties and surface wettability from Ag + incorporation. Mechanically, nanoindentation experiments show a fivefold increase in the mechanical force required to fracture the surface Ag + -doped LLZO, indicating substantial doping-induced surface toughening. Operando microprobe scanning electron microscopy experiments show that the Ag + -doped LLZO surface exhibits improved lithium plating at >250 mA cm −2 and an electroplating diameter that is expanded by over fourfold, even under an extreme indentation stress of 3 GPa. This demonstrates enhanced defect tolerance in LLZO, rather than electronic or adhesion effects. Our study reveals a chemo-mechanical mechanism via surface heterogeneous doping, complementing present bulk design rules to minimize mechanical failures in solid-state batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A probabilistic-phase field model for the fracture of brittle materials

Abstract We develop a computational method to determine the failure probability of brittle materials under general mechanical loading conditions. The method is a combination of two parts: (1) numerical simulations of materials with multiple cracks using phase field theory, where the complete fracture process is viewed as ‘damage percolation’ along critical paths or clusters of cracks, rather than the traditional weak-link failure mechanism of Weibull, and (2) an extension of the Batdorf statistical theory of fracture to finite domains, where it is implemented within the finite element framework. The results of phase-field simulations at the ‘percolation threshold’ are used as failure data in the Batdorf theory to determine the overall probability of failure. The input to this approach is the size distribution of cracks in a pristine material. An example is shown, where alumina samples that were previously tested by Abe and coworkers (Abeet al2003J. Am. Ceram. Soc.861019–21) in four-point loading are compared to the results of our numerical simulations. The approach developed here has the advantage of being extendable to more complex thermomechanical loading.

Materials Science↗
DOE OSTI2025

Modelling the brittle failure of graphite induced by the controlled impact of runaway electrons in DIII-D

The thermo-mechanical response of an ATJ graphite sample to controlled runaway electron (RE) dissipation, realized in DIII-D, is modelled with a novel work-flow that features the RE orbit code KORC, the Monte Carlo particle transport code Geant4 and the finite element multiphysics software COMSOL. KORC provides the RE striking positions and momenta, Geant4 calculates the volumetric energy deposition and COMSOL simulates the thermoelastic response. Brittle failure is predicted according to the maximum normal stress criterion, which is suitable for ATJ graphite owing to its linear elastic behavior up to fracture and its isotropic mechanical properties. Measurements of the conducted energy, damage topology, explosion timing and blown-off material volume, impose a number of empirical constraints that suffice to distinguish between different RE impact scenarios and to identify RE parameters which provide the best match to the observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Universal behavior in fragmenting brittle, isotropic solids across material properties

A bonded particle model is used to explore how variations in the material properties of brittle, isotropic solids affect critical behavior in fragmentation. To control material properties, a model is proposed which includes breakable two- and three-body particle interactions to calibrate elastic moduli and mode I and mode II fracture toughnesses. In the quasistatic limit, fragmentation leads to a power-law distribution of grain sizes which is truncated at a maximum grain mass that grows as a nontrivial power of system size. In the high-rate limit, truncation occurs at a mass that decreases as a power of increasing rate. A scaling description is used to characterize this behavior by collapsing the mean-square grain mass across rates and system sizes. Consistent scaling persists across all material properties studied, although there are differences in the evolution of grain size distributions with strain as the initial number of grains at fracture and their subsequent rate of production depend on Poisson's ratio. Importantly, this evolving granular structure is found to induce a unique rheology where the ratio of the shear stress to pressure, an internal friction coefficient, decays approximately as the logarithm of increasing strain rate. The stress ratio also decreases at all rates with increasing strain as fragmentation progresses and depends on elastic properties of the solid.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Transient creep‐fatigue crack growth in creep‐brittle materials: Application to Alloy 718

Abstract This study presents incremental finite element computations of creep‐fatigue crack growth in Alloy 718 at in air. Alloy 718 is representative of creep‐brittle materials, in which viscoplastic deformation is restricted near the tip of a growing crack. The computations predict crack growth using a unique combination of an irreversible cohesive zone formulation and a strain gradient viscoplastic material model based on the Kocks–Mecking formulation. Cohesive zone damage parameters are estimated using sustained loading and constant‐amplitude cyclic loading experiments. Computations of crack extension under three different waveforms containing overloads all predict post‐overload retardation. The amount of retardation depends strongly on the overload ratio, consistent with experiments in the literature using similar waveforms. Analysis of the crack‐tip fields demonstrates retardation is associated with unloading in the highly deformed material near the advancing crack tip. Dynamic recovery and geometrically necessary dislocations are shown to significantly influence post‐overload crack extension.

36 MATERIALS SCIENCE↗
DOE OSTI2025

On the bulk compaction of brittle granular materials, part I: SeS analysis of axial compression to 4000 MPa

The bulk compaction of granular materials has been studied for decades to interpret and manage responses for soils and powder-based component fabrication, and geophysical, celestial, and ballistic impact. Their bulk or macroscopic compaction response is limited by what occurs at the granular or microstructural scale. Motivation existed to more closely examine that association specific to granular brittle materials (e.g., ceramics and glasses). That examination is offered in a series of three companion papers where Part I describes a new supplemental analysis adopted to bulk compaction response involving relatively high compaction stresses (4000 MPa). Bulk compactions of vitreous silicates and crystalline quartzes were interpreted in three ways, including that of a new analysis that considers the product of void ratio (e) and stress (S) as a function of S, hereafter referred to as “SeS analysis”. In conclusion, the SeS analysis was found to be an informative supplement to conventional bulk compaction analyses because it provides more consistent higher sensitivity for the identification of bulk density rate increase with increasing compaction (softening); a rate increase that arises from the cumulative effect of the onsets and progression of compaction-induced yielding, fracture or comminution, densification, phase change, or combinations thereof occurring at the granular or microstructural scale.

compaction↗