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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Implementation of extrinsic cohesive zone model (ECZM) in 2D finite-discrete element method (FDEM) using node binding scheme

The combined finite-discrete element method (FDEM) has been widely used for rock fracturing simulations. Conventionally, FDEM is realized using the intrinsic cohesive zone model (ICZM); however, it has the drawback of artificial compliance and high computational expense. As a complement, the extrinsic cohesive zone model (ECZM) is seen to be realized in FDEM recently, whereas the node splitting scheme utilized is cumbersome. Here, within the framework of ICZM-based FDEM, we propose a node binding scheme to efficiently bind the pre-discretized finite elements and thus guarantee the continuum behavior of materials in the elastic stage. The yield surfaces, controlled by ECZM, are dynamically embedded by invoking the pre-inserted cohesive elements. The effectiveness and efficiency of the proposed approach are validated and tested by performing a suite of numerical experiments. Compared with ICZM-based FDEM, the proposed approach can correctly capture material deformation and reduce the computation cost. In contrast to the existing ECZM-based FDEM, the proposed approach can overcome the frequent and complex element topology updating. Finally, this work provides a novel perspective that fully inherits the advantages of both ICZM and ECZM, but circumvents their shortcomings, which guarantees a more efficient and effective simulation of brittle material evolution from continuum to discontinuum.

58 GEOSCIENCES↗
DOE OSTI2023

Accelerated Aging Scoping Study of Additively Manufactured Coupons

Additive manufacturing (AM) is a relatively new technological advancement that allows for rapid prototyping, development of intricate shapes, and reduction in manufacturing time. The materials of interest for this project are Ultem 1010, ABS M30, FDM Nylon 12, PC, and PPSF. However, little is known regarding the aging behavior of these AM materials. The limited aging study outlined herein was designed to compare the chemical, physical, and mechanical properties of AM parts as they experience accelerated aging at 70 °C for a total of 24 weeks. In general, ABS M30 stood out as it appeared to undergo chemical and physical changes leading to increase in density and an overall more brittle material, making this commonly used material not attractive for long-term use.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Flaw-insensitive fracture of a micrometer-sized brittle metallic glass

Brittle materials, such as oxide glasses, are usually very sensitive to flaws, giving rise to a macroscopic fracture strength that is much lower than that predicted by theory. The same applies to metallic glasses (MGs), with the important difference that these glasses can exhibit certain plastic strain prior to catastrophic failure. Here we consider the strongest metallic alloy known, a ternary Co 55 Ta10B 35 MG. In this work, we show that this macroscopically brittle glass is flaw-insensitive at the micrometer scale. This discovery emerges when testing pre-cracked specimens with self-similar geometries, where the fracture stress does not decrease with increasing pre-crack size. The fracture toughness of this ultra-strong glassy alloy is further shown to increase with increasing sample size. Both these findings deviate from our classical understanding of fracture mechanics, and are attributed to a transition from toughness-controlled to strength-controlled fracture below a critical sample size.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The role of surface forces in environment-enhanced cracking of brittle solids

Fracture initiation and propagation in brittle materials is promoted in surface-reactive (sorptive) environments, a phenomenon known as subcritical crack growth (SCG). Laboratory measured crack-propagation velocity vs. stress intensity factor relationships typically exhibit highly nonlinear, multi-stage characteristics that are sensitive to environmental factors such as adsorbate concentration and temperature. For practical purposes, empirical relationships (e.g., a power law) have been used to describe this complex phenomenon. However, how the overall SCG behavior emerges from the underlying fundamental processes near the crack tip, such as the interaction of the crack surfaces separated by only a few nanometers and mass transport within the nano-confined space, is still not well understood. This paper develops a mechanistic, surface-force-based fracture theory (SFFT) which integrates surface force models, fluid transport models, and linear elastic fracture mechanics to quantitatively explain the multi-stage characteristics of SCG in brittle solids. A numerical model is developed based on SFFT and solved through an implicit partitioned scheme for efficiency and modularity. The results are validated by Wiederhorn's data on crack propagation in soda-lime glasses at a wide range of relative humidity levels. We show that, for the first time, the entire range of an SCG curve can be captured by a single physics-based model. The predicted SCG curves reveal that the development of repulsive disjoining pressure behind the crack tip can be responsible for the reduced apparent fracture toughness in a sorptive environment. In conclusion, the shape of the SCG curve, and its changes with respect to the environment, is found to critically depend on the assumed transport models.

36 MATERIALS SCIENCE↗
DOE OSTI2026

In-Situ Visualization of a Growing Brittle Crack in Aluminum Oxynitride Using Synchrotron X-Rays and the Double-Cleavage Drilled Compression Geometry

Brittle fracture is difficult to study in situ due to the speed of a growing crack and the often-catastrophic nature of failure in brittle materials. As a result, the influence of microstructural considerations, such as orientation, grain boundary locations, and strain field, on the crack path remains poorly understood. Presented in this study is a method addressing this knowledge gap, which utilizes the double-cleavage drilled compression geometry to achieve quasi-stable fracture in aluminum oxynitride (AlON). Synchrotron X-ray micro-computed tomography is used to characterize the crack shape and length, while high-energy diffraction microscopy provides information on the strains, orientations, and shapes of grains in the microstructure surrounding the crack tip. During testing, the crack grew in discrete and irregular jumps while the fracture toughness falls within reported ranges. The crack in AlON is found to have no greater tendency to crack intergranularly as compared to transgranularly, and grains which are cracked transgranularly do not display a trend in orientation or stress when compared to those around which the crack followed a grain boundary. The high resolution of the crack path and microstructural data provides a path forward for modeling and understanding 3D brittle fracture.

Gorske, Sara F.↗
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

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 OSTI2022

A fourth-order phase-field fracture model: Formulation and numerical solution using a continuous/discontinuous Galerkin method

Modeling crack initiation and propagation in brittle materials is of great importance to be able to predict sudden loss of load-carrying capacity and prevent catastrophic failure under severe dynamic loading conditions. Second-order phase-field fracture models have gained wide adoption given their ability to capture the formation of complex fracture patterns, e.g. via crack merging and branching, and their suitability for implementation within the context of the conventional finite element method. Higher-order phase-field models have also been proposed to increase the regularity of the exact solution and thus increase the spatial convergence rate of its numerical approximation. However, they require special numerical techniques to enforce the necessary continuity of the phase field solution. In this paper, we derive a fourth-order phase-field model of fracture in two independent ways; namely, from Hamilton’s principle and from a higher-order micromechanics-based approach. The latter approach is novel, and provides a physical interpretation of the higher-order terms in the model. In addition, we propose a continuous/discontinuous Galerkin (C/DG) method for use in computing the approximate phase-field solution. This method employs Lagrange polynomial shape functions to guarantee -continuity of the solution at inter-element boundaries, and enforces the required regularity with the aid of additional variational and interior penalty terms in the weak form. Finally, the phase-field equation is coupled with the momentum balance equation to model dynamic fracture problems in hyper-elastic materials. Two benchmark problems are presented to compare the numerical behavior of the C/DG method with mixed finite element methods.

42 ENGINEERING↗
DOE OSTI2022

Catalytic Chemical Recycling of Post-Consumer Polyethylene

Among commercial plastics, polyolefins are the most widely produced worldwide but have limited recyclability. Here, we report a chemical recycling route for the conversion of post-consumer high-density polyethylene (HDPE) into telechelic macromonomers suitable for circular reprocessing. Unsaturation was introduced into HDPE by catalytic dehydrogenation using an Ir-POCOP catalyst without an alkene acceptor. Cross-metathesis with 2-hydroxyethyl acrylate followed by hydrogenation transformed the partially unsaturated HDPE into telechelic macromonomers. The direct repolymerization of the macromonomers gave a brittle material due to the low overall weight-average molecular weight. Aminolysis of telechelic macromonomers with a small amount of diethanolamine increased the overall functionality. The resulting macromonomers were repolymerized through transesterification to generate a polymer with comparable mechanical properties to the starting post-consumer HDPE waste. Finally, depolymerization of the repolymerized material catalyzed by an organic base regenerated the telechelic macromonomers, thereby allowing waste polyethylene materials to enter a chemical recycling pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Numerical Simulation of Container Breach and Airborne Release of Solids Due to Mechanical Insults

Throughout U.S. Department of Energy (DOE) complexes, safety engineers employ the five-factor formula to calculate the source term (ST) that includes parameters of airborne release fraction (ARF), respirable fraction (RF) and damage ratio (DR). Limited experimental data on fragmentation of solids, such as ceramic pellets (i.e., PuO2), and container breach due to mechanical insults (i.e., drop and forklift impact), can be supplemented by modeling and simulation using high fidelity computational tools to estimate these parameters. This paper presents the use of Sandia National Laboratories' SIERRA solid mechanics (SM) finite element code to investigate the behavior of the widely utilized waste container (such as 7A Drum) subject to a range of free fall impact and puncture scenarios. The resulting behavior of the container is assessed, and the estimates are presented for bounding DRs from calculated breach areas for the various accident conditions considered. This paper also describes a novel multiscale constitutive model recently implemented in SIERRA/SM that simulates the fracture of brittle materials such as PuO 2 and determines ARF during the fracture process. Furthermore, comparisons are made between model predictions and simple bench-top experiments.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

UNDERSTANDING THE SEMI-PROBABILISTIC APPROACHES IN STRUCTURAL RELIABILITY USED TO SET DESIGN RELIABILITY TARGETS FOR GRAPHITE COMPONENTS USING ASME BPVC METHODS

Graphite is a quasi-brittle material, resulting in random variability in tensile strength distributions. To account for the random variability in strength, HHA-3000 of the ASME BPVC provides two semi-probabilistic methods for qualifying nuclear graphite components in the design stage, the simplified and full assessments. The full and simplified assessments apply statistical methods to engineering-based design problems. This is often referred to as reliability-based design. Reliability-based design (RBD) is a method to develop reliable designs by accounting for uncertainties and result in small chances of failure when also considering safety factors. RBDs provide reliability targets using semi-probabilistic approaches. RBD is implemented in ASME BPVC HHA-3000 for nuclear graphite components, but is not specific to that application. There has been much confusion around the methods implemented in ASME BPVC HHA-3000 for qualifying nuclear graphite components. To address the confusion, this paper takes a hierarchical approach. First, the general RBD framework is presented. Then, the semi-probabilistic methods and the underlying assumptions implemented in the assessments are presented. The semi-probabilistic methods are separated from the engineering modifications that have been made to the assessments. After building the framework and underlying assumptions, the specific methods in the full and simplified assessments are explained in three steps: inputs, methods, outputs. The methods are applied to an H-451 reflector block. Tensile strength properties for other graphite grades are provided.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Polyolefin blends with co-continuous architectures enabled by dynamic covalent crosslinking

Blending polymers produces brittle materials due to macrophase separation and poor interfacial adhesion, which is exemplified by mixtures of polyolefins. This presents a formidable challenge for the mechanical recycling of mixed plastic waste. Here, we demonstrate that dynamic covalent crosslinking of immiscible polyolefin blends creates macrophase separated co-continuous architectures, yet they display excellent mechanical properties, which challenges the conventional wisdom regarding morphology-property relationships in polymer blend compatibilization. We find that the position and orientation of dynamic crosslinks and their influence on crystallinity are key to understanding the structure-morphology-property relationships. In particular, high-resolution microscopy imaging reveals alignment of crystallite planes with strong orientational preference, particularly at polymer-polymer interfaces, which contribute to material performance. We further demonstrate that changes in crosslinker density and valency allow the properties of binary and ternary polyolefin blends to be tuned in a modular fashion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Preliminary design analysis workflow for Division 5 HHA-3200 requirements for graphite core components

This report presents a design analysis workflow for graphite core components and assemblies, based on the design rules of ASME Boiler Pressure and Vessel Code, Section III, Division 5, Article HHA-3000. The workflow contains three stages: developing the design of the graphite core component, modeling the component with the finite element software MOOSE, and assessing if the component passes/fails the criteria of the HHA-3000 design rules. Since the design rules use probabilistic metrics specifically established to evaluate brittle materials, we developed a python library that performs all the statistical calculations necessary for the evaluations of the HHA-3000 criteria.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A Novel Approach for Real-Time Quality Monitoring in Machining of Aerospace Alloy through Acoustic Emission Signal Transformation for DNN

Gamma titanium aluminide (γ-TiAl) is considered a high-performance, low-density replacement for nickel-based superalloys in the aerospace industry due to its high specific strength, which is retained at temperatures above 800 °C. However, low damage tolerance, i.e., brittle material behavior with a propensity to rapid crack propagation, has limited the application of γ-TiAl. Any cracks introduced during manufacturing would dramatically lower the useful (fatigue) life of γ-TiAl components, making the workpiece surface’s quality from finish machining a critical component to product quality and performance. To address this issue and enable more widespread use of γ-TiAl, this research aims to develop a real-time non-destructive evaluation (NDE) quality monitoring technique based on acoustic emission (AE) signals, wavelet transform, and deep neural networks (DNN). Previous efforts have opted for traditional approaches to AE signal analysis, using statistical feature extraction and classification, which face challenges such as the extraction of good/relevant features and low classification accuracy. Hence, this work proposes a novel AI-enabled method that uses a convolutional neural network (CNN) to extract rich and relevant features from a two-dimensional image representation of 1D time-domain AE signals (known as scalograms), subsequently classifying the AE signature based on pedigreed experimental data and finally predicting the process-induced surface quality. The results of the present work show good classification accuracy of 80.83% using scalogram images, in-situ experimental data, and a VGG-19 pre-trained neural network, establishing the significant potential for real-time quality monitoring in manufacturing processes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Graphite Sessions 1-3

International Research & Development Programs Who is doing what in graphite throughout the world Nuclear graphite components Why is graphite so difficult to develop code rules? Unique features of nuclear grade graphite No nuclear graphite standard Brittle material in a pressure vessel code? General graphite behavior and degradation As-fabricated material properties Irradiation behavior Oxidation behavior Molten salt issues

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Effect of Loading Frequency on Fatigue Behavior of Additively Manufactured Short Fiber Thermoplastics via Infrared Thermography

Fracture, Fatigue, Failure, Damage Evolution and Thermomechanics & Infrared Imaging, Volume 4 of the Proceedings of the 2025 SEM Annual Conference & Exposition on Experimental and Applied Mechanics, the fourth volume of five from the Conference, brings together contributions to this important area of research and engineering. The collection presents early findings and case studies on a wide range of areas, including: • 3D Deformation and Failure • In-situ Techniques and Microscale Effects on Mechanical Behavior • Vibration and Cyclic Fatigue • Integration of Models and Experiments • Interface-Mediated Damage and Failure • Fracture and Fatigue in Brittle Materials • Material Characterizations Using Thermography • Fatigue, Damage & Fracture Evaluation Using Infrared Thermography

Pathak, Pharindra [Auburn University]↗
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 OSTI2024

Phase-field modeling of crack growth under coupled creep-fatigue

Crack growth under coupled creep-fatigue strongly influences service life of metallic components operating at high temperatures. However, there lack numerical models that enable direct simulations of crack growth and plasticity development under coupled creep-fatigue. Here, in this study, a unified phase-field model is developed for simulating crack growth under fatigue, creep, and coupled creep-fatigue. This model is able to reproduce the Paris laws for both brittle and ductile materials in pure fatigue mode, which shows that the degradation rate due to cyclic stress in ductile materials is generally larger than that in brittle materials. Fatigue simulations with different yield strengths demonstrate that plasticity facilitates crack growth in typical ductile materials. High-throughput simulations are performed under coupled creep-fatigue conditions, with varying hold-stress levels and hold-time. By analyzing crack growth rate under different hold-time, a creep-fatigue interaction term is obtained. Simulation results demonstrate that the creep-fatigue interaction is caused by smaller stress gradient and enhanced degradation rate ahead of the crack tips under coupled creep-fatigue, compared to the situation of pure fatigue. This work reveals the origin of different Paris-law exponents in brittle and ductile materials and demonstrates how the interplay between creep and fatigue affects crack growth.

36 MATERIALS SCIENCE↗