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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A smeared crack modeling framework accommodating multi-directional fracture at finite strains

A generic smeared crack modeling framework predicated on the deformation gradient decomposition (DGD) approach is proposed for use in dynamic fracture problems at finite strains, accommodating failure along multiple mutually orthogonal fracture planes embedded within an independently defined bulk material model. Within this constitutive framework, the traction equilibrium conditions imposed at each failure surface are used to determine the associated crack displacements stored as internal state variables. In general, the enforcement of interfacial equilibrium entails the implicit solution of a non-linear system of equations within the constitutive update procedure. However, if inertial effects arising due to the relative motion of the fractured material are incorporated within the model, the traction equilibrium conditions are shown to give rise to corresponding dynamic equations of motion governing the time-evolution of the crack opening displacements. For dynamic problems, an explicit time-integration procedure is devised to efficiently update the material state, subject to a set of internal frictionless contact constraints to prevent material inversion. Finally, the efficacy of the proposed modeling framework is investigated through several benchmark dynamic fracture problems run within the explicit finite element code DYNA3D.

42 ENGINEERING↗
DOE OSTI2023

An investigation of fracture behaviors of NBG-18 nuclear graphite using in situ mechanical testing coupled with micro-CT

Nuclear graphite contains defects spanning from nanoscale basal cracks to sub-mm scale voids. This study aims to establish an experimental method to investigate pre-existing defects and 3-D crack growth inside nuclear graphite, NBG-18. Three-point bending tests were performed on single-edge notched beam specimens with and without coupling with micro-CT. The fracture toughness was measured to be 1.17 ± 0.06 MPa $\sqrt{{m}}$. Cracks were observed to initiate from the pores and thermal cracks on the edge of the notch and then defect or twist to grow along the pre-existing defects. Crack bridging, defection, and twisting were the primary toughening mechanisms. The crack resistance curve exhibited a trend of rising-plateau-rising that can be related to the interaction of crack front and the pre-existing defects. In conclusion, the results highlight the capability of laboratory micro-CT-based experimental method for the visualization of multi-scale defect interactions, which remains to be a challenge in the characterization of nuclear graphite.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Cantor-derived medium-entropy alloys: bridging the gap between traditional metallic and high-entropy alloys

The year 2004 marked the beginning of a new era in the design of metallic materials, as the concept of multiple principal component alloys, commonly known as High-Entropy Alloys (HEAs), was proposed by Cantor and Yeh. The unexpected single-phase microstructure, instead of the expected brittle intermetallic compounds, was attributed to the large entropy of mixing and immediately caught the attention of the scientific community. Today, HEAs are considered important advanced materials and a broad range of alloys using nominally the same design principle have been investigated. Despite that, the CrMnFeCoNi (Cantor) alloy stands out as the most successful HEA due to its outstanding mechanical properties and microstructure. In this scenario, variants of the Cantor alloy, named medium-entropy alloys (MEAs), are gaining significant interest as they display a better industrial potential than both HEAs and traditional alloys. These variants of the Cantor alloy with only three or four main elements result in 15 possible combinations. The microstructure of these alloys is discussed in terms of advanced characterization as well as thermodynamic parameters and computational simulation. Their phase stability is addressed over a wide range of temperatures and strain rates. The mechanical properties, especially the fracture toughness, of the CrFeCoNi and CrCoNi alloys have been reported to be even superior to those of the Cantor alloy and most modern engineering alloys. This is associated with the formation of a continuous sequence of strengthening mechanisms, including hierarchical twin networks, which serve to prolong the strain hardening. The present article reviews and critically assesses, for the first time, recent advances in these Cantor-derived MEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Revealing complex subsurface dynamics with continuous seismic monitoring: Observations using distributed acoustic sensing and surface orbital vibrators during hydraulic fracturing

Understanding hydraulic fracturing is crucial to improving the stimulation of unconventional reservoirs and increasing fluid production. This study develops a novel seismic monitoring technology using distributed acoustic sensing (DAS) and surface orbital vibrators (SOV) to capture fracture seismic response and mechanical properties at high temporal intervals. We analyze continuous time-lapse vertical seismic profiling (VSP) data acquired every hour during the first nine days of treatment of an unconventional reservoir in the Austin Chalk/Eagle Field Laboratory. The VSP data contain clear seismic signals scattered from the activated fractures. The spatiotemporal changes of the fracture reflectivity revealed by the SOV/DAS data correlate well with the observations of fracture locations inferred from low-frequency DAS data. These results capture the fracture opening and closure processes, as well as highlight potential prestage activations of the fractures due to hydraulic connectivity with preexisting fracture systems. Therefore, analysis of the presented data set provides a unique opportunity to understand fracture initiation and subsequent evolution, not only in the context of unconventional resources but also in enhanced geothermal systems.

Correa, Julia↗
DOE OSTI2025

An atomistic study connecting underlying dislocation behavior with superior mechanical properties of NiCoCr medium entropy alloy

NiCoCr-based medium-entropy alloy (MEA) with a simple face-centered cubic crystal phase exhibits excellent mechanical properties, often attributed to the synergy of multiple deformation mechanisms. However, the atomistic origin of their outstanding mechanical response, including microstructural evolution and dislocation behavior under varying strain-rates and orientation, remains unclear. In this work, we employ large-scale molecular dynamics (MD) simulations to investigate the changes in deformation mechanisms along three distinct orientations ([110], [111], [100]) under varying strain rates (1 ×10 8 /sec, 1 ×10 10 /sec, 1 ×10 12 /sec) in the NiCoCr MEA. The presence of the stair-rod and the Shockley partial dislocations under uniaxial tensile strain are found to play a key role in the formation of deformation twinning and ε-martensite, which positively correlates with strain-rate dependent dislocation analysis. These findings further establish the role of the dislocations in controlling the superior mechanical response and excellent fracture toughness of the NiCoCr MEA. Systematic transmission-electron microscopy tests performed on the [111]-oriented crystals, deformed at different strain levels, at room temperature provide clear evidence of both the extended stacking-fault and the stair rods, confirming the predicted microstructural features. Finally, this study offers key insights into the complex nucleation mechanisms of deformation twinning and ε-martensite, such as twinning – and transformation–induced plasticity (TWIP-TRIP), providing valuable guidelines for studying similar material classes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mitigation of spall fracture by evolving porosity

Ductile materials subject to impact loading conditions can undergo spall fracture when an incoming compressive stress wave reflects off interfaces and free surfaces as a tensile stress wave. Experimental observations suggest that in ductile materials, spall fracture is driven by the evolution of porosity. However, the presence of initial porosity in ductile materials also introduces plastic compressibility, which can attenuate the incoming compressive stress wave and, as a result, reduce the amplitude of the reflected tensile stress wave. This, in turn, can mitigate or delay spall fracture. In this work, we report on finite deformation finite element calculations that analyze the response of porous ductile materials subjected to impact loading conditions. Two sets of calculations are carried out, in the first set the material contains initial porosity values ranging from 0% to 5% while in the second set the material also undergoes stress-controlled porosity nucleation. Both sets of calculations are carried out for a wide range of imposed impact velocities. Here, our results show that porosity in ductile materials can, under certain circumstances, mitigate spall fracture by attenuating stress waves. Results correlating the effects of impact velocity, initial porosity, and porosity nucleation on spall fracture are presented and the underlying mechanisms are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fracture Strength Determination Methods for Ceramic Materials Applied to Uranium Dioxide

The Advanced Fuels Campaign is currently focusing on development of accident-tolerant fuels that possess a range of property modifications intended to improve fuel performance during accident and transient conditions as well as extend license limits to burnups beyond 62 MWd/kgU. Both of these drivers have identified understanding and mitigating fuel cracking as a key performance criterion. Small-scale cantilever beam testing has been identified as a plausible method by which to collect fracture data for UO 2 as a function of chemical and structural evolutions introduced either during fabrication or irradiation. While this method has been found to be capable of providing data that are in reasonable agreement with literature for unirradiated UO 2 , the inherently small sample volumes that can be sampled limit its ability to capture the statistical nature of mechanisms that govern the fracture of brittle ceramics. A biaxial flexure strength test was developed to be used for unirradiated UO 2 . This method is standard in the community, but no systems presently in use at national laboratories, universities, or private companies are available to be used for nuclear fuel materials. This report describes the operation and benchmarking of this system, which has been validated for a number of common oxides. Future work will extend this system to characterization of both doped UO 2 and other relevant microstructural modifications that can also be measured using small-scale cantilever beam testing. Comparison of datasets collected using both methods will allow the overall applicability of small-scale techniques to be assessed and provide confidence or bounds on their use for irradiated fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
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

Developing Methods to Assess Changes in Mechanical Properties of Shale Modified by Engineered Mineral Precipitation

Fractures in subsurface shale formations serve multiple purposes, for example, in the recovery of resources in hydraulic fracturing or as potential harmful leakage passages through caprocks that may contribute undesired fluids to the atmosphere or functional groundwater aquifers. A proposed method to seal or influence fracture properties is Ureolysis-Induced Calcium Carbonate Precipitation (UICP), a bio-mineralization technology driven by the enzymatic hydrolysis of urea, resulting in the formation of calcium carbonate. Sporosarcina pasteurii is a common microbe used as the source of the urease enzyme that catalyzes the chemical reaction. The resulting calcium carbonate can bridge the gaps in fractured shale and reduce fluid flow through fractures. However, there is little information on how this process affects the mechanical properties of the resulting biomineralized shale. This study represents the first step toward determining the influence of UICP treatment on shale material and its subsequent mechanical strength properties. This methods development study aims to determine the effect that temperature has on the tensile strength of intact, unfractured shale cores (2.54 cm (1 in) diameter, 5.08 cm (2 in) long). Tensile strength was determined indirectly using a modified Brazilian test where the splitting tensile strength is attained by applying a compressive load onto the core. Shale cores from Eagle Ford and Wolfcamp formations were tested at both room temperature and 60°C to determine if increased temperature influences the tensile strength of the rock. This data will help to assess the necessity of testing biomineralized cores at temperature. Though 60°C may not mimic subsurface temperatures of the shales used in this study, it was chosen due to limitations of the UICP process while still approaching temperatures of shale formations. This project aims to evaluate what effect temperature has on the mechanical properties of intact shale cores so that engineered or natural rock fractures that are sealed by biomineralization can be better understood.

Bedey, Kayla↗
DOE OSTI2021

Nanomechanical investigation of the interplay between pore morphology and crack orientation of amorphous silica

Porous amorphous silica (a-SiO 2 ) is of both fundamental and practical interests, as they exhibit a large specific surface area and tunable porous network. However, the brittle nature of a-SiO 2 and the presence of pre-existing cracks at both micro- and nano-scales lead to complex mechanical behavior. Here, we systematically investigate the effects of pre-existing crack and its orientation on the mechanical properties of a-SiO 2 with varying pore shapes using reactive molecular dynamics simulations. We demonstrate that pore shape will primarily influence the Young’s modulus (E) and critical energy release rate (G IC ). We further investigate the impact of pore shape and crack orientation by local characterization of the structural parameters. By defining the high stress and inter-mediate regions, the overall mechanical properties are found to be greatly influenced by the pore shape which can be reflected through the spatial distribution of von Mises stress. Overall, G IC is found to increase with the increase of ligament length (also known as pore wall thickness). Meanwhile, the effect of the pre-existing crack on the crack propagation process is confirmed by analyzing the density distribution evolution. These results highlight the interplay between pore morphology and crack orientation in controlling the fracture behaviors in brittle porous materials.

42 ENGINEERING↗
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 OSTI2022

Investigation of fracture in porous materials: a phase-field fracture study informed by ReaxFF

Microscopic features (e.g, pore shapes, sizes, and distribution) in porous material substantially affect the overall mechanical properties such as stiffness and strength. In turn, these material properties determine the macroscopic behaviors of fracture in the porous material. In certain cases, macroscopic properties can be derived from the porous skeleton and void ratio (i.e., porosity), but in many other cases, such derivation is a challenging task. This paper presents a numerical investigation of microporosity and micropore shapes effect on the macrofracture behavior in porous amorphous silica. For this study, we extend the recently-proposed combined molecular dynamic (MD) and phase-field (PF) fracture modeling approach by including different pore shapes in the atomistic domain. In the MD simulations, we adopt ReaxFF to evaluate the material properties, where four different micropore cases are considered. Based on the material properties derived from MD simulations, the macrofracture propagation of porous media is studied using hybrid PF simulation. In the characterization of the pore structure, the concept of pore ligament is proposed to relate the pore shape and the critical energy release rate. Two classical fracture problems were used to evaluate the effect of pore shape on the macrofracture behavior. The results of the case study show that although the micropore shapes change the macrofracture behaviors, these effects vary with the geometry and loading conditions of macroscopic boundary value problems. Furthermore, the case study also shows that the influence of micropore structure can be captured at the macroscopic level through the material properties derived from the MD simulations.

42 ENGINEERING↗
DOE OSTI2020

Potential Formation Damage: An Integrated Reservoir Characterization Study of the Naturally Fractured Carbonate Middle Duperow Formation at the Kevin Dome, Montana

In this study, we integrate geologic and engineering data of a naturally fractured carbonate reservoir at the Kevin Dome, Montana. Well test data are correlated with core description, geochemical and lithology study to determine the flow behavior and communication within the injection test interval and to the surrounding area. Based on a dual-continuum geologic model, numerical brine injection simulations are carried out to validate the interpretation results from our well test analytical models and forecast the probability of CO 2 injection success using current reservoir properties. As a result, our well test analytical models as well as lithology/core description suggest that fluid flow may be mainly restricted to the injection interval and the assumption of radial (horizontal) flow may be appropriate. The well test models also indicate that there is potentially formation damage with a positive skin factor although prior to brine injection well tests, well stimulation through acid treatment was performed. Our numerical simulation results appear to confirm this formation damage by showing additional pressure buildup in the injection data during later test periods. To explain this, acid may have dissolved dolomite then dolomite or calcite may have been formed again further into the matrix/fracture system. Another possible explanation is mechanical clogging of the fractures due to acid dissolving dolomite and dislodging fine grains. Our work also predicts that if no additional well stimulation is performed, the project will have a lower probability of successfully injecting 1 million tons of CO 2 into the Middle Duperow formation over 4 years.

42 ENGINEERING↗
DOE OSTI2025

Macro-level mechanical interlocking: A rapid joining approach for additively manufactured compression molded composite panels

Composite joining typically involves multiple steps, such as drilling and surface treatment, as part of the manufacturing process, which leads to low throughput and long cycle times. In the present study, we demonstrated a macro-level mechanical interlocking (MI) based, rapid joining technique to assemble additively manufactured compression molded (AMCM) panels, enabling the production of parts larger than the mold dimensions. Composite panels made of 20 wt% short carbon fiber reinforced acrylonitrile butadiene styrene (CF/ABS) were joined using MI features of various geometries, namely tree (TR), dovetail (Dov), rectangle 2 (Rect2), and rectangle 1 (Rect1), and their in-plane strength was evaluated. The resultant strength of the tested MI joints reached up to 74 % of the baseline tensile strength (i.e., the ‘no joint’ case). Observations from optical and scanning electron microscopy revealed inadequate polymer diffusion between the adherends, indicating that the joint strength was primarily derived from mechanical interlocking. Additionally, the fracture surfaces exhibited stress-whitening marks, which were characterized using differential scanning calorimetry (DSC). The increase in melting enthalpy suggested local stretching of polymer chains due to MI. Finite element analysis (FEA) indicated that the Rect1 MI feature, which generated the lowest stress concentration, outperformed the others in terms of joint strength, achieving 42 MPa. As a demonstration of the MI joining method, a battery box tray measuring 108 cm × 34 cm using a mold with an effective dimension of 36 cm × 34 cm successfully manufactured, resulting in a part with an area three times larger than the mold. In conclusion, this study presents a promising approach to improving composite joining techniques while minimizing production complexities.

In-plane joining↗
DOE OSTI2023

Coupling Thermal-Hydraulics with Reactor Pressure Vessel Fracture Models

Because of the importance of maintaining the integrity of the reactor pressure vessel (RPV) in light-water reactors, significant effort has been devoted over the last several decades to understand the potential failure mechanisms, characterize how material properties evolve due to environmental conditions, and develop tools to assess the probability of fracture in aged RPVs during potential transient events. One important aspect of this problem that has not yet been fully addressed is the effects of nonuniform cooling on the RPV inner wall due to the way low-temperature water injected into the primary coolant system is distributed within the RPV during potential loss-of-coolant accident transients. Colder temperatures are expected in the regions near the inlets, causing a “cold-plume” effect. Rapid cooling of the RPV wall increases the likelihood of fracture initiation, and localized cooling due to cold-plume effects could potentially exacerbate this problem. The Grizzly code can perform a three-dimensional simulation of the RPV thermomechanical response as well as the probabilistic assessment of fracture for a population of pre-existing flaws, which is necessary to account for spatial variations in coolant temperature. This report documents a first effort to couple Grizzly RPV fracture models with computational fluid dynamics models performed using the Cardinal code, which allows for a realistic representation of the temperature distribution. This report demonstrates this coupling approach on two test cases: a simplified proof-of-concept scenario and a realistic small-break loss-of-coolant accident scenario. In both cases, the effects of the spatially varying temperature are evident; although, because the small-break loss-of-coolant accident scenario was far from challenging the RPV’s margins, it is still inconclusive how important cold-plume effects are in realistic accident scenarios. However, this effort represents an important step toward performing realistic analyses to determine to what extent spatially nonuniform cooling might affect RPV integrity under more aggressive accident scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Dimorphic Mechanisms of Fragility in Diabetes Mellitus: the Role of Reduced Collagen Fibril Deformation

ABSTRACT Diabetes mellitus (DM) is an emerging metabolic disease, and the management of diabetic bone disease poses a serious challenge worldwide. Understanding the underlying mechanisms leading to high fracture risk in DM is hence of particular interest and urgently needed to allow for diagnosis and treatment optimization. In a case–control postmortem study, the whole 12th thoracic vertebra and cortical bone from the mid-diaphysis of the femur from male individuals with type 1 diabetes mellitus (T1DM) (n = 6; 61.3 ± 14.6 years), type 2 diabetes mellitus (T2DM) (n = 11; 74.3 ± 7.9 years), and nondiabetic controls (n = 18; 69.3 ± 11.5) were analyzed with clinical and ex situ imaging techniques to explore various bone quality indices. Cortical collagen fibril deformation was measured in a synchrotron setup to assess changes at the nanoscale during tensile testing until failure. In addition, matrix composition was analyzed including determination of cross-linking and non-crosslinking advanced glycation end-products like pentosidine and carboxymethyl-lysine. In T1DM, lower fibril deformation was accompanied by lower mineralization and more mature crystalline apatite. In T2DM, lower fibril deformation concurred with a lower elastic modulus and tendency to higher accumulation of non-crosslinking advanced glycation end-products. The observed lower collagen fibril deformation in diabetic bone may be linked to altered patterns mineral characteristics in T1DM and higher advanced glycation end-product accumulation in T2DM. © 2022 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).

59 BASIC BIOLOGICAL SCIENCES↗