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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Uncertainty quantification for competing failure mechanisms in unidirectionally reinforced carbon–carbon composites

Microstructure-informed finite element models play a key role in the carbon–carbon composite design process. Variability in manufacturing process parameters and experimental limitations introduce model parameter uncertainty. This study quantifies the effect of model parameter uncertainty on transverse tensile fracture behavior and proposes a methodology to predict the failure mode based on competing microscale damage mechanisms. Finite element simulations incorporate fiber–matrix interface debonding with cohesive zones and matrix damage with a smeared crack band approach in a unidirectional carbon–carbon composite. Results from a variance-based global sensitivity analysis identifies interfacial and matrix damage parameters as the primary source of variability in fracture behavior. Sobol’ indices indicate that matrix and cohesive zone strengths contribute 94% of the variance in the effective ultimate stress. A local analysis elucidates the relationship between these constituent strength parameters and failure mode by estimating the probability of cohesive, matrix, and mixed-mode dominated failure. Based on the results for 4000 simulations, 93% exhibit mixed-mode or interfacial dominated failure, which underscores the crucial role of fiber–matrix interface debonding in the transverse tensile failure of carbon–carbon composites. These uncertainty quantification results facilitate more efficient model calibration and provide a framework for microstructure-informed failure predictions in the face of manufacturing-induced uncertainty.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Silicon-Equivalent Neutron Dose Estimations

Radiation transport calculations are often used to estimate dose or exposure to components and personnel surrounding a radiation source. The sources for these calculations are decaying radionuclides within the various nuclear materials. Under long-term radiation exposure, some components may show signs of material damage such as hardening, cracking, discoloration, etc. resulting from the dose received from nearby radioactive sources. Radiation dose quantities are a useful means to correlate material damage or degradation to radiation interactions. The degradation is often dependent on how incident radiation interacts and deposits energy into the material. This dependence implies that radiation dose should be properly defined for the material effect of interest. Generic dose quantities, such as total energy deposited, may not necessarily correlate well for degradation of any given material.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Multiphysics modeling of SOFC performance degradation caused by interface delamination and active layer cracking

In solid oxide device operation, delamination and cracking cause more catastrophic damage to cell life than other degradation mechanisms, leading to more rapid cell failure. The electrochemical performance degradation caused by electrode/electrolyte interface delamination and active layer cracking were investigated through in-house developed three-dimensional multiphysics simulations. Here the multiphysics simulations, fully calibrated against experimental datasets for button cells in a previous study, were extended to quantitatively investigate the effects of electrode/electrolyte interface delamination and active layer cracking. The simulated polarization curves and impedance behavior with various levels of delamination and cracking provided insights of the performance degradation. Furthermore, the local current distributions within the cell were analyzed for three different operating modes: constant voltage, constant current, and constant power. Finally, a practical strategy was proposed to mitigate the performance degradation in the realistic cell operations, extending overall cell lifetime.

08 HYDROGEN↗
DOE OSTI2021

Phase evolution and mechanical performance of an ettringite-based binder during hydrothermal aging

Little is known about the performance of ettringite-based binders in hydrothermal conditions. This investigation aims to gain insights into the phase evolution and corresponding mechanical performance of an ettringite-based binder considering crystallization pressure caused by late-reaction products. Additionally, the role of fiber reinforcement on the strength retention of the binder was investigated. When aged at an elevated temperature under water-saturated conditions, hard-burned MgO hydrated to form brucite. The precipitation and growth of the brucite crystals led to a crystallization pressure of approximately 200 MPa calculated using thermodynamic modelling. Damage was observed after 4 months of aging with cracks in the microstructure and eventually a failure at the macro scale. Ettringite remained stable at 60 °C due to the water-saturated conditions. Polypropylene fiber delayed crack propagation and thus reduced the damage caused by crystallization pressure. The fiber improved the flexural performance of composite attaining deflection-hardening behavior regardless of aging conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Magnetostrictive EMAT for Nuclear Spent Fuel Canisters

One approach for mitigation of stainless steel (SS) spent fuel canisters (SFCs) is to coat the welds or even the entire SFC with a cold-sprayed nickel coating. The coating can serve as a magnetostrictive interface between an electromagnetic acoustic transducer (EMAT) and the SS plate material. The EMAT can send ultrasound into the canister and “listen” for reflections caused by chloride-initiated stress corrosion cracking (CISCC) or other damage mechanisms that may lead to leaks if undetected and unmitigated. Here, this project outlines an approach for monitoring the integrity of SFCs using magnetostrictive EMAT sensors, which emit and detect discontinuity-initiated reflections indicative of pits or cracks likely arising from CISCC. Flat 13 mm SS plates with welds similar to actual canister welds were prepared, with flat-bottom holes 3 mm and 6 mm deep and 6 mm in diameter placed within the weld heat-affected zone (HAZ). The most effective sensor configurations were able to detect critical discontinuities more than 2 m away. Although a single sensor could be robotically deployed, the large volume covered by each sensor could support a small number of permanently mounted sensors, equipped with an external connector for periodic interrogation. The HAZ of a hypothetical SFC cylindrical surface could be effectively monitored with just 16 sensors.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Microscopic characterization of alkali-silica reaction (ASR) affected recycled concrete mixtures induced by reactive coarse and fine aggregates

Alkali-silica reaction (ASR) is one of the most detrimental distress mechanisms leading to early deterioration of concrete infrastructure, creating large amounts of construction and demolition waste which however can be transformed into recycled concrete aggregates (RCA). Yet, as ASR is an ongoing distress mechanism, its potential of reoccurrence in RCA could cause adverse effects. Investigation of the crack propagation of RCA concrete revealed that the distress features vary widely thus, indicating different distress mechanisms in all RCA concrete. Concrete made of slightly damaged RCA shows the lease number of cracks yet, wider cracks at high expansion levels. Additionally, the distress in slightly damaged RCA concrete made of reactive coarse aggregate and RCA concrete made of reactive sand, regardless of original damage extent, is governed by cracks propagating through the residual cement paste whereas cracks propagate through the new cement paste in severely damaged RCA made of reactive coarse aggregate.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Inference of phase field fracture models

The phase field approach to modeling fracture uses a diffuse damage field to represent cracks. This representation mollifies singularities that arise in computations with sharp interface models and some of the resultant difficulties in the mathematical and numerical treatment of fracture. Phase field fracture models have proven effective at representing crack propagation, branching, and merging. Specific formulations, beginning with brittle fracture, have also been shown to converge to classical solutions. Extensions to cover the range of material failure, including ductile and cohesive fracture, lead to an array of possible models. There exists a large body of literature focusing on this class of models and on the impact of model form on the predicted crack evolution. However, there have not been systematic studies into how optimal models may be chosen. Here, we take a first step in this direction by developing formal methods for identification of the best parsimonious model of phase field fracture given full-field data on the damage and deformation fields. We consider some of the main models that have been used for the degradation of elastic response due to damage and its propagation. Our approach builds upon Variational System Identification (VSI), a weak form variant of the Sparse Identification of Nonlinear Dynamics (SINDy). Furthermore, in this first communication we focus on synthetically generated data but we also consider central issues associated with the use of experimental full-field data, such as data sparsity and noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Neural Network-Enhanced Reproducing Kernel Particle Method for Image-Based Multiphysics Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant stresses during charge/discharge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), image-based modeling techniques are used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electrochemical-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in capturing crack propagation due to mesh dependency. Additionally, commonly used damage models, such as the continuous damage model and the cohesive zone model, often have steep tradeoffs between discontinuous field accuracy and computational expense. In this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022.

damage modeling↗
DOE OSTI2023

Engineering-scale Modeling of High-Temperature Creep and Creep Crack Growth in Alloy 316H

This document demonstrates completion of the goals described in the technical narrative of the Department of Energy’s Industry Funding Opportunity Announcement (iFOA) project entitled “Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing,” which relates to the development and demonstration of capabilities for conducting engineering-scale simulations of Alloy 316H components under high-temperature conditions. This work encompassed two major aspects: integrating and testing constitutive models for the creep response of 316H at high temperatures, and developing tools for modeling creep crack growth (CCG) in 316H. Two classes of constitutive models were used in this effort: phenomenological models based on behavior observed at the engineering scale, and reduced-order models (ROMs) that represent the nonlinear response of mesoscale models that capture the sensitivity to material microstructure and processing. Likewise, the approaches employed for CCG modeling considered both simplified engineering approaches and detailed simulations of creep and damage ahead of the crack tip. These developments, which were performed by utilizing the Grizzly code as well as the open-source libraries it depends on, strengthen Grizzly’s ability to support licensing and safety analyses of high-temperature reactor components.

316H↗
DOE OSTI2024

Kink bands promote exceptional fracture resistance in a NbTaTiHf refractory medium-entropy alloy

Single-phase body-centered cubic (bcc) refractory medium- or high-entropy alloys can retain compressive strength at elevated temperatures but suffer from extremely low tensile ductility and fracture toughness. We examined the strength and fracture toughness of a bcc refractory alloy, NbTaTiHf, from 77 to 1473 kelvin. This alloy’s behavior differed from that of comparable systems by having fracture toughness over 253 MPa·m 1/2 , which we attribute to a dynamic competition between screw and edge dislocations in controlling the plasticity at a crack tip. Whereas the glide and intersection of screw and mixed dislocations promotes strain hardening controlling uniform deformation, the coordinated slip of <111> edge dislocations with {110} and {112} glide planes prolongs nonuniform strain through formation of kink bands. These bands suppress strain hardening by reorienting microscale bands of the crystal along directions of higher resolved shear stress and continually nucleate to accommodate localized strain and distribute damage away from a crack tip.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Infusible Thermoplastic Composites for Wind Turbine Blade Manufacturing: Fatigue Life of Thermoplastic Laminates under Ambient and Low-Temperature Conditions

Traditionally, thermoset resins such as polyesters (PE) and epoxies are used as the polymer matrix for construction of wind turbine blades. However, concern about their end-of-life treatment garners interest to use thermoplastics for increased recyclability. However, the high viscosity of molten thermoplastics inhibits their use in manufacturing wind turbine blades with injection or compression molding. A recently developed, infusible, reactive thermoplastic resin overcomes this technological barrier. Toward verifying that this recyclable resin is suitable for use in wind turbine blades, a dataset of R?=?0.1 and R?=?10 fatigue data for glass fiber-reinforced acrylic composites is provided and equal fatigue life to industry standard epoxy and unsaturated PE resin systems is demonstrated. Specifically, R?=?0.1 fatigue data for acrylic composites at room temperature and -30?degrees C for verification of low-temperature performance are tabulated. To elucidate failure mechanisms, in situ mechanical testing with X-ray computed tomography demonstrates that damage accumulation occurs by crack propagation along the fiber-matrix interface under cyclic loading. Infrared (IR) thermography predicts failure points in composites specimens with porosity defects introduced from nonideal manufacturing processes. Furthermore, these manufacturing defects are shown to compromise the fatigue life of the acrylic laminates by an order of magnitude.

effect of defects↗
DOE OSTI2022

Activating dislocation mediated plasticity in boron carbide through Al-doping

Dislocation slip, deformation twinning, phase transformations, and fast fracture are energy dissipation mechanisms that accommodate mechanical loading in materials. The energetically unfavorable formation of dislocation attributes to the ease of cracking and the low damage tolerance observed in superhard ceramics, notably boron carbide. Here, this work demonstrates that room temperature dislocation slip can be enabled in boron carbide by altering its chemistry through Al doping. The activation of dislocation slip is mechanistically explained by quantum mechanics simulations and electron microscopy, which indicate that strain energy is released through basal icosahedral slip facilitated by icosahedral rotation and chain bond breaking and reconfiguring. The new insight gained through this work suggests that atomic doping could be an effective strategy to tune deformation mechanisms in boron carbide, which provides a significant potential for limiting amorphization and catastrophic failure, and opens a new strategy to enhance damage tolerance in brittle ceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A study of Cell Cracks Formation During Freight Shipping : Monitoring Shock and Temperature in Real-Time & Assessing Damages With Pre and Post-Transit Characterizations of PV Modules

The solar photovoltaic (PV) industry often experiences module damage during transportation. PV modules stacked horizontally and strapped on wooden pallets may develop failures impacting their efficiency (glass shattering, cracks, frame indentation, etc.), especially when modules are not packed by professionals. The appearance of failures during the shipment from one laboratory to another can be detrimental to research studies. In this study, we tested a reusable plastic pallet designed to ship modules vertically. Five technologies of commercial PV modules were shipped together from Arizona to Florida including: glass/glass bifacial modules (framed and frameless), glass/transparent backsheet bifacial modules and glass/white backsheet modules (framed). Each module technology has a different physical size. Some modules had pre-existing cell-cracks allowing for the study of cell-crack formation and propagation during shipment. Dark current-voltage (I-V), light I-V and electroluminescence characterization were performed before and after shipment. A datalogger was used to monitor shocks and ambient temperature throughout the shipment and identify when the modules were more susceptible to damage. The modules were tilted upon receipt and the pallet were damaged but with no shattered modules. Time series shock data provided by the datalogger were used to determine potential responsible events. Our results reveal a few new post-transportation cracks for some modules. Modules parameters before and after shipment are also compared regarding the module constructions and their position in the pallet.

14 SOLAR ENERGY↗
DOE OSTI2022

Effects of internal swelling on residual elasticity of a quasi-brittle material through a composite sphere model

This work describes the development of a micromechanical-based constitutive model accounting for the effect of internal expansion on the residual elasticity of a Hashin composite material. This material is made of spherical inclusions that are subjected to gradual swelling within a quasi-brittle matrix. The main focus of this work is to describe and analyze the material mechanical response, with an additional focus on the internal swelling’s effect on the stress–strain response and residual elasticity. Microstructural features and parameters of major importance for the mechanical responses were identified. The innovative characteristics of the proposed approach are summarized as follows: (1) a full determination of the physics of a complete-damage problem throughout the whole process of inclusion swelling with upscaling techniques, which transfers the microcrack-related properties from the lower scale to upper scale; and (2) an evolution of the mechanical fields and the corresponding residual elasticity for various inclusion swelling levels. Concerning the matrix–inclusion composite, it was hypothesized that only the matrix was susceptible to cracking, with varied degrees of damage, whereas the inclusions behave elastically and the elastic modulus of the expanding inclusions remains constant. It is to emphasize that the gradual swelling of inclusions is modeled by an increasing strain in the current micromechanical-based constitutive model, and the microcracks are represented by a set of randomly oriented penny-shaped microcracks with identical radii (namely, closed cracks). The main contribution of the current research is to establish the exact mathematical solutions for the mechanical fields (stress, strain) caused by the swelling of the inclusions (mechanical loading) and derive the effective residual elasticity of a composite (structural response) subject to internal expansion and quasi-brittle damage. Based on the assumption of closed cracks that could be extended to open cracks in the upcoming work, the results proposed by the present paper help to understand the non-linear mechanical behavior of quasi-brittle materials subject to microcracking and provide a theoretical framework to be used as academical benchmark for numerical simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Sprain energy consequences for damage localization and fracture mechanics

The 2023 smooth Lagrangian Crack-Band Model (slCBM), inspired by the 2020 invention of the gap test, prevented spurious damage localization during fracture growth by introducing the second gradient of the displacement field vector, named the “sprain,” as the localization limiter. The key idea was that, in the finite element implementation, the displacement vector and its gradient should be treated as independent fields with the lowest ( C 0 ) continuity, constrained by a second-order Lagrange multiplier tensor. Coupled with a realistic constitutive law for triaxial softening damage, such as microplane model M7, the known limitations of the classical Crack Band Model were eliminated. Here, we show that the slCBM closely reproduces the size effect revealed by the gap test at various crack-parallel stresses. To describe it, we present an approximate corrective formula, although a strong loading-path dependence limits its applicability. Except for the rare case of zero crack-parallel stresses, the fracture predictions of the line crack models (linear elastic fracture mechanics, phase-field, extended finite element method (XFEM), cohesive crack models) can be as much as 100% in error. We argue that the localization limiter concept must be extended by including the resistance to material rotation gradients. We also show that, without this resistance, the existing strain-gradient damage theories may predict a wrong fracture pattern and have, for Mode II and III fractures, a load capacity error as much as 55%. Finally, we argue that the crack-parallel stress effect must occur in all materials, ranging from concrete to atomistically sharp cracks in crystals.

Science & Technology - Other Topics↗
DOE OSTI2022

A directional microcrack damage theory for brittle solids based on continuous hyperplasticity

We present a novel microcrack-damage theory for brittle solids under compression. Instead of using internal variables like zeroth, second or fourth rank damage tensors, the state of material damage is represented by an internal function that encapsulates the information of direction, density and size of microcracks. Just like other internal variables, the evolution of this state function must obey the second law of thermodynamics for arbitrary loading paths. This is done by casting the model in the framework of continuous hyperplasticity and enforcing a non-negative dissipation rate functional. The proposed framework offers predictions on the continuous evolution of microcrack density and the induced material anisotropy along with the macroscopic stress-strain curves. The use of continuous damage function grants the model significantly enhanced resolution in characterizing the direction-dependent response of cracked solids compared to classical models that are based on damage tensors. Two scenarios are considered in developing the theory, one assumes frictionless cracks and the other incorporates friction between crack surfaces. The results highlight that inelasticity, pressure dependence, and loading-unloading hysteresis exhibited by brittle solids are natural consequences of frictional microcracks. The proposed theory offers a generic and versatile framework to upscale micromechanical processes operating at individual crack scale to explain the macroscopic behavior of cracked solids.

Materials Science↗