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At least 91 records · Page 5

Autonomous Inversion of In Situ Deformation Measurement Data for Injection-Induced Stress Change

Geologic carbon storage (GCS) is likely to play a key part of the global effort to dramatically reduce CO2 emissions and perhaps even reduce atmospheric CO2 concentrations through carbon negative operations. A critical part of effort to commercialize and widely deploy this technology is developing the capability to rapidly assimilate real-time monitoring data into a form that will enable site operators to make decisions to manage the safe and efficient operations. Two of the risks associate with GCS are the risk of inducing fractures in the sealing formations that can create leakage pathways and the risk of inducing earthquakes of sufficient magnitude to cause public concern, property damage, or safety risks. To properly manage these risks the site operator needs to know the initial state of stress, the change in stress induced by injection, and the relationship between operational parameters such as injection rate and pressure and the change in stress. Current methods of estimating the change in stress require choosing the type of constitutive model and the model parameters based on core, log, and geophysical data during the characterization phase, with little feedback from operational observations to validate or refine these choices. These characterization methods interrogate the geologic formations using length scales, loading rates or magnitudes that are quite different from those encountered by the actual storage system. It is shown that errors in the assumed constitutive response, even when informed by laboratory tests on core samples, are likely to be common, large, and underestimate the magnitude of stress change caused by injection. Recent advances in borehole-based strain instruments and borehole and surface-based tilt and displacement instruments have now enabled monitoring of the deformation of the storage system throughout its operational lifespan. This data can enable validation and refinement of the knowledge of the geomechanical properties and state of the system, but brings with it a challenge to transform the raw data into actionable knowledge. We demonstrate a method that uses automatic differentiation and a finite-element based geomechanical model perform a gradient-based deterministic inversion of geomechanical monitoring data. This approach allows autonomous integration of the instrument data without the need for time consuming manual interpretation and selection of updated model parameters. Furthermore, only isotropic linear elasticity is considered in this paper, the approach presented is very flexible as to what type of geomechanical constitutive response can be used. The approach is easily adaptable to nonlinear physics-based constitutive models to account for common rock behaviors such as creep and plasticity. The approach also enables training of machine learning-based constitutive models by allowing back propagation of errors through the finite element calculations. This enables strongly enforcing known physics, such as conservation of momentum and continuity, while allowing data-driven models to learn the truly unknown physics such as the constitutive or petrophysical responses.

Burghardt, Jeffrey A.↗

Shock compression behavior of stainless steel 316L octet-truss lattice structures

Lattice structures offer desirable mechanical properties for applications of energy absorption and impact mitigation but limited research has been carried out on their shock compression behavior. In this work, the shock compression behavior of stainless steel 316L (SS316L) octet-truss lattice structures was investigated through experimental techniques and numerical simulations. Plate impact experiments with high-speed imaging were conducted at impact velocities of 270 – 390 m/s on lattice specimens with 5x5x10 unit cell geometries additively manufactured (AM) using direct metal laser sintering. High-speed imaging together with digital image correlation was used to extract full-field measurements and define a two-wave structure consisting of an elastic wave and planar compaction (shock) wave which propagated along the impact direction. A linear shock velocity versus particle velocity relation was found to approximate the measurements with a unit slope and a linear fit constant equal to the crushing speed. Furthermore, the shock velocity versus particle velocity relation, full-field measurements, and elastic limit together with the Eulerian form of the Rankine-Hugoniot jump conditions were used to find relations for the stress and internal energy behind the shock. Stress behind the shock increased with relative density and particle velocity, and specific internal energy converged to a single curve similar to that of bulk AM SS316L. Explicit finite element analysis using the Johnson-Cook constitutive model demonstrated similar shock behavior observed in experiments and a linear shock velocity versus particle velocity relation and corresponding Hugoniot calculations were found to be in agreement with experimental results. Numerical simulations confirmed negligible effects of exterior versus interior measurements and further validated the application of one-dimensional shock theory.

42 ENGINEERING↗

Dynamic Modeling and Characterization of Nuclear-grade Graphite

Idaho National Labs serves as the spearhead for many innovative energy solutions to the world's energy crisis. One such solution is the INL's Microreactor which is designed to deploy to extreme/remote environments where other sources of power are either unavailable or unreliable. In order to best design these energy solutions for their operational environments, it is crucial to understand how the design, components, and materials will respond to the environmental conditions. One key material in these innovative designs is a nuclear-grade graphite known as PCEA. This study examines the behavior of PCEA graphite under dynamic loading, similar to that which may occur in extreme environments. The objective is to characterize the dynamic behavior and produce an accurate, reliable constitutive model suitable for use in simulation tools such as INL's MOOSE. Graphite specimens were tested using a Split Hopkinson Pressure Bar (SHPB) to administer the dynamic compressive load. The SHPB was charged at various pressures to produce a range of strain rates on the material in compression. Data was acquired via strain gauges on the SHPB setup, from which stress, strain, and time data were collected. Analysis revealed the stress-strain behavior of the material as well as insights into the material behavior's relationship to strain rate. Further work must continue to characterize the various other dynamic behaviors of the material which will combine to create a substantially trustworthy constitutive model for this grade of nuclear-grade graphite. Ultimately, this will allow for realistic simulation of the material in reactor designs, allowing for prediction of design weaknesses and leading to improved designs for increased resilience, security, and reliability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Microstructure homogenization of concrete used in nuclear power plants

Almost all nuclear power plants in the United States are operating past their intended lifetimes or are requesting lifetime extensions. Therefore, understanding changes to the concrete containment structure over time is crucial to evaluate the structure’s continued viability. Concrete materials are heterogeneous particulate composites that exhibit viscoelastic material properties, which can lead to slow deformation over time, causing stress redistribution and the potential for creep cracking. A code to generate random, three dimensional (3D) concrete microstructures has been developed and paired with finite element analysis to predict the long-term viscoelastic properties of concrete. Data from these simulations are used to develop constitutive equations for the viscoelastic behavior of the homogenized concrete. The codes in this work are used to virtualize laboratory experiments, to obtain long-term creep data in a faster, cheaper manner. To validate this work, the simulated creep behavior of concrete is compared to 800 d of experimental data that has been extended to 27 y of data using the Time-Temperature superposition (TTS) principal. Excellent agreement between the simulation results and experimental data is seen.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Effects of particle size, shape and loading rate on the normal compaction of an advanced granular ceramic

Compaction behavior of granular materials is influenced by strain rate, particle size, and shape. In this report, boron carbide powders with different particle sizes under uni-axial strain conditions are studied using quasi-static compression, dynamic Kolsky bar experiments and normal plate impact. A rounded powder is compacted to investigate the effect of particle shape. The normal plate impact technique is an excellent tool in characterization of powder compaction behavior up to strain rates of ~10 5 s -1 . From our experiments, granular boron carbide shows a highly compressible behavior with significant volume compaction. Constitutive responses are obtained for four powders. Particle fracture is identified as key deformation mechanism. Dynamic loading introduces more particle fragmentation than quasi-static loading. Morphological characterization of particle shapes shows that the deformation from powder compaction alters the particle shape distribution, which is also rate-dependent. Particle size, shape and strain rate effects on the normal stress are discussed accordingly.

36 MATERIALS SCIENCE↗

baseflow: a MATLAB and GNU Octave package for baseflow recession analysis

baseflow is a MATLAB® toolbox designed for baseflow recession analysis, a technique used in hydrologic science to infer aquifer properties from streamflow. By leveraging widely available streamflow data, baseflow can be used to estimate aquifer properties such as hydraulic conductivity and drainable porosity over the modern instrumental stream gage record. The toolbox is intended for analysis of measured streamflow values recorded on a daily timestep, and is tailored for shallow, unconfined riparian aquifers that discharge groundwater laterally into adjacent streams. Additionally, baseflow can analyze the collective behavior of individual hillslope aquifers constituting hydrologic catchments, known as “watersheds”, from a nonlinear dynamical systems perspective. The toolbox incorporates recent advances in baseflow recession analysis to enable objective estimations of aquifer properties, and their sensitivity to methodological decisions, at both hillslope and catchment scales.

97 MATHEMATICS AND COMPUTING↗

A Multiphysics Multiscale Simulation Platform for Damage, Environmental Degradation, and Life Prediction of CMCs in Extreme Environments

This project successfully developed a multiphysics, multiscale computational framework to enhance the design and development of CMCs, with a focus on modeling highly nonlinear, time-dependent damage mechanisms and material degradation under extreme conditions, such as those experienced in turbine service environments. The project made significant advances in improving our understanding of progressive damage, oxidative degradation, and time-dependent inelastic deformation in CMCs, with particular attention to the role of uncertainties in predictions. Key outcomes include the integration of advanced material characterization, uncertainty quantification, and multiphysics constitutive models to predict the behavior of CMCs over their service life. A novel multiscale methodology was employed, which integrated microscale constituent behaviors with structural-scale responses, enabling the manufacturing defects in the microstructure that are prone to damage nucleation. Through the development of DL algorithms, the project advanced the prediction of damage initiation and crack propagation, taking into account the defect morphology and statistical variations across multiple scales. The framework was rigorously validated using thermomechanical experiments, which tested CMCs under various mechanical loadings at elevated temperatures, further enhancing the model's predictive capability. Overall, the research outcomes have provided a more accurate, reliable method for predicting CMC component life, significantly advancing material design, and improving component reliability in extreme environments. This work has strong implications for the optimization of turbine components and other high-performance applications where CMCs are used.

03 NATURAL GAS↗

A non-isothermal breakage-damage model for plastic-bonded granular materials incorporating temperature, pressure, and rate dependencies

Plastic-bonded granular materials (PBM) are widely used in industrial sectors, including building construction, abrasive applications, and defense applications such as plastic-bonded explosives. The mechanical behavior of PBM is highly nonlinear, irreversible, rate dependent, and temperature sensitive governed by various micromechanical attributions such as grain crushing and binder damage. This paper presents a thermodynamically consistent, microstructure-informed constitutive model to capture these characteristic behaviors of PBM. Key features of the model include a breakage internal variable to upscale the grain-scale information to the continuum level and to predict grain size evolution under mechanical loading. In addition, a damage internal state variable is introduced to account for the damage, deterioration, and debonding of the binder matrix upon loading. Temperature is taken as a fundamental external state variable to handle non-isothermal loading paths. The proposed model is able to capture with good accuracy several important aspects of the mechanical properties of PBM, such as pressure-dependent elasticity, pressure-dependent yield strength, brittle-to-ductile transition, temperature dependency, and rate dependency in the post-yielding regime. Furthermore, the model is validated against multiple published datasets obtained from confined and unconfined compression tests, covering various PBM compositions, confining pressures, temperatures, and strain rates.

Breakage↗

Microstructure-Sensitive Uncertainty Quantification for Crystal Plasticity Finite Element Constitutive Models Using Stochastic Collocation Methods

Uncertainty quantification (UQ) plays a major role in verification and validation for computational engineering models and simulations, and establishes trust in the predictive capability of computational models. In the materials science and engineering context, where the process-structure-property-performance linkage is well known to be the only road mapping from manufacturing to engineering performance, numerous integrated computational materials engineering (ICME) models have been developed across a wide spectrum of length-scales and time-scales to relieve the burden of resource-intensive experiments. Within the structure-property linkage, crystal plasticity finite element method (CPFEM) models have been widely used since they are one of a few ICME toolboxes that allows numerical predictions, providing the bridge from microstructure to materials properties and performances. Several constitutive models have been proposed in the last few decades to capture the mechanics and plasticity behavior of materials. While some UQ studies have been performed, the robustness and uncertainty of these constitutive models have not been rigorously established. In this work, we apply a stochastic collocation (SC) method, which is mathematically rigorous and has been widely used in the field of UQ, to quantify the uncertainty of three most commonly used constitutive models in CPFEM, namely phenomenological models (with and without twinning), and dislocation-density-based constitutive models, for three different types of crystal structures, namely face-centered cubic (fcc) copper (Cu), body-centered cubic (bcc) tungsten (W), and hexagonal close packing (hcp) magnesium (Mg). Our numerical results not only quantify the uncertainty of these constitutive models in stress-strain curve, but also analyze the global sensitivity of the underlying constitutive parameters with respect to the initial yield behavior, which may be helpful for robust constitutive model calibration works in the future.

36 MATERIALS SCIENCE↗

An anisotropic viscoplasticity model for shale based on layered microstructure homogenization

Viscoplastic deformation of shale is frequently observed in many subsurface applications. Many studies have suggested that this viscoplastic behavior is anisotropic—specifically, transversely isotropic—and closely linked to the layered composite structure at the microscale. In this work, we develop a two-scale constitutive model for shale in which anisotropic viscoplastic behavior naturally emerges from semianalytical homogenization of a bilayer microstructure. The microstructure is modeled as a composite of soft layers, representing a ductile matrix formed by clay and organics, and hard layers, corresponding to a brittle matrix composed of stiff minerals. This layered microstructure renders the macroscopic behavior anisotropic, even when the individual layers are modeled with isotropic constitutive laws. Using a common correlation between clay and organic content and magnitude of creep, we apply a viscoplastic modified Cam-Clay plasticity model to the soft layers, while treating the hard layers as a linear elastic material to minimize the number of calibration parameters. We then describe the implementation of the proposed model in a standard material update subroutine. The model is validated with laboratory creep data on samples from three gas shale formations. We also demonstrate the computational behavior of the proposed model through simulation of time-dependent borehole closure in a shale formation with different bedding plane directions.

58 GEOSCIENCES↗

Characterization of the fatigue threshold behavior of UHMWPE

Ultra-high-molecular-weight-polyethylene (UHMWPE) has been the material of choice for bearings in total joint replacements (TJRs) for decades as a result of its excellent wear resistance, chemical inertness, energetic toughness, low friction, and biocompatibility. Utilization of this polymer in orthopedic devices requires oxidation, wear, and fatigue resistance. Balancing these important properties by tailoring processing techniques and modulating microstructural features has been an ongoing endeavor in the field. Research into the clinical applications of UHMWPE has primarily focused on the challenges of wear and oxidation while studies into the realm of fatigue have been more limited. Literature gaps exist in fully understanding the fatigue crack initiation near notches or propagation of small existing flaws in UHMWPE used in TJRs. In particular, the characterization of the fatigue thresholds and near-threshold fatigue behavior of orthopedic grade UHMWPE has yet to be thoroughly explored. In this work, we characterized the fatigue crack arrest threshold of clinically-relevant UHMWPE formulations. Correlations between the fatigue thresholds and bulk mechanical properties as well as microstructural properties were examined across these medical resins. The important role played by crosslinking in influencing the fatigue performance of UHMWPE is highlighted in this study. In addition, it is established that J-integral fracture toughness is the best predictor of fatigue thresholds and could possibly be used as a stand-in metric for fatigue performance if thresholds cannot be directly ascertained. Finally, this study corroborates that the true constitutive parameters best describe the mechanical behavior of UHMWPE.

Cross-linking↗

Improved Compaction Experiments and Modeling of Waste Isolation Pilot Plant Standard, Non-degraded, Waste Containers

A credible simulation of disposal room porosity at the Waste Isolation Pilot Plant (WIPP) requires a tenable compaction model for the 55-gallon waste containers within the room. A review of the legacy waste material model, however, revealed several out-of-date and untested assumptions that could affect the model’s compaction behavior. For example, the legacy model predicted non-physical tensile out-of-plane stresses under plane strain compression. (Plane strain compression is similar to waste compaction in the middle of a long drift.) Consequently, a suite of new compaction experiments were performed on containers filled with surrogate, non-degraded, waste. The new experiments involved uniaxial, triaxial, and hydrostatic compaction tests on quarter-scale and full-scale containers. Special effort was made to measure the volume strain during uniaxial and triaxial tests, so that the lateral strain could be inferred from the axial and volume strain. These experimental measurements were then used to calibrate a pressure dependent, viscoplastic, constitutive model for the homogenized compaction behavior of the waste containers. This new waste material model’s predictions agreed far better with the experimental measurements than the legacy model’s predictions, especially under triaxial and hydrostatic conditions. Under plane strain compression, the new model predicted reasonable compressive out-of-plane stresses, instead of tensile stresses. Moreover, the new model’s plane strain behavior was substantially weaker for the same strain, yet substantially stronger for the same porosity, than the legacy model’s behavior. Although room for improvement exists, the new model appears ready for prudent engineering use.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Experimental study of compaction localization in carbonate rock and constitutive modeling of mechanical anisotropy

Abstract Sedimentary rocks are inherently anisotropic and prone to strain localization. While the influence of rock anisotropy on the brittle/dilative regime has been studied extensively, its influence on the ductile/compactive regime is much less explored. This paper discusses the anisotropic behavior of a high‐porosity carbonate rock from central Europe (the Maastricht Tuffeau). A set of triaxial tests with concurrent x‐ray tomography has been performed at different confining pressures. The anisotropic characteristics of this rock have been investigated by testing samples cored at different inclinations of the bedding, thus revealing non‐negligible effects of the coring direction on yielding and compaction behavior. Specifically, samples cored perpendicular to bedding display higher strength and longer stages of post‐yielding deformation before manifesting re‐hardening. Despite such alterations of the inelastic response, Digital Image Correlation has revealed that the strain localization mode is independent of the coring direction, thus being primarily affected by the confinement level. To capture the observed interaction between material anisotropy and compaction behavior at the continuum‐scale, an elastoplastic constitutive law has been proposed. For this purpose, a set of tensorial bases has been introduced to replicate how the oriented rock fabric modulates the yielding and plastic flow characteristics of the material. The analyses show that the impact of the coring direction on yield function and plastic flow rule is fundamentally different, thus requiring the use of distinct projection strategies (a strategy here defined heterotopic mapping). The performance of the model, studied through parametric analyses and by calibrating the experimental results, illustrates the improved capability of the proposed constitutive approach when applied to strongly anisotropic porous rocks.

Shahin, Ghassan↗

Modeling The Effects of Loading Scenario and Thermal Expansion Coefficient on Potential Failure of Cryo-compressed Hydrogen Vessels

A multiscale thermomechanical model for a simplified Type-3 cryogenic compressed hydrogen (H2) storage vessel is developed in this paper. The model accounts for the temperature-dependent elastic-plastic behavior of the vessel carbon/epoxy composite overwrap and aluminum alloy liner. The homogenized thermo-elastic-plastic behavior for the individual laminas of the vessel layup is obtained by an incremental Eshelby-Mori-Tanka approach associated with a micromechanical failure criterion to predict lamina failure while a standard elastic-plastic constitutive model is used to describe the behavior of a typical aluminum alloy assumed for the liner. The vessel response to external loadings is achieved by a finite element method. Four loading scenarios representing four thermomechanical cycles applied to the vessel are analyzed to evaluate constituent and lamina stresses as well as the associate failure criterion during the cycle according to these scenarios. The model can provide helpful guidance to mitigate thermal stresses by an adequate selection of loading scenario, optimizing the layup and by tailoring thermomechanical properties of the resin matrix.

36 MATERIALS SCIENCE↗

Modeling of melting and erosion in high velocity microparticle impacts

High velocity collisions can cause melting, a situation involving elasticity, plasticity, and phase transformations in tandem, which is very challenging for mechanical modeling. Here, this paper advances the use of smoothed particle hydrodynamics (SPH) simulations for this complex situation, investigating stainless steel microspheres impacting a tin substrate. After extensive validation against a range of mechanical and geometrical measurements of experimental impacts, the model provides a detailed, quantitative view of melt volume production over a broad range of impact velocities. It also enables direct decomposition of the impact energy partitioning, including analysis of the energy absorbed by plasticity in the impactor, the system kinetic energy, and the adiabatic heating of the substrate in addition to the melting itself. Since these quantities are not available experimentally, SPH modeling substantially enhances the quantitative understanding of such impacts. Finally, the model speaks to the phase characteristics of the ejecta formed during impact, confirming the experimental inference that the ejected material likely contains a significant fraction of solid material.

Constitutive modeling↗

Coupled THM modeling of bentonite heating and hydration in tank tests with a new temperature-dependent water retention model

This study presents a coupled thermo-hydro-mechanical (THM) model for simulating the heating and hydration behavior of bentonite, a buffer material in deep geological repositories (DGRs). The model incorporates a new temperature-dependent soil water retention curve which captures the thermal-induced shift in water retention behavior. It also distinguishes between liquid and gas permeability, modeling intrinsic gas permeability as a function of accessible porosity to improve vapor transport and desaturation predictions. The model was validated against two large-scale tank tests, demonstrating good agreement with measured temperature, relative humidity, and water inflow data. It revealed a complex porosity evolution driven by thermal expansion, vapor movement, vapor condensation, and hydration-induced swelling during heating and hydration processes. The simulation results also suggest that the permeability of the hydration layer plays a critical role in controlling water intake. Clogging of this layer can significantly reduce the volume of water inflow during the hydration phase. Furthermore, while the model effectively captures key THM behavior, further development of the mechanical constitutive law is required to account for possible thermo-elasto-plastic volume changes and microstructural effects. Overall, the model provides a robust tool for evaluating the evolution of bentonite-based barrier material in DGRs.

Guo, Guanlong [Lawrence Berkeley National Laborato↗

A level set approach for the computational study of a yield stress fluid filling a thin mold

Many important engineering and scientific applications such as cement slurries, foams, crude oil, and granular avalanches involve the concept of yield stress. Therefore, modeling yield stress fluids in different flow configurations, including the accurate prediction of the yield surface, is important. In this paper, we present a computational model based on the finite element method to study the flow of yield stress fluids in a thin mold and compare the results with data from flow visualization experiments. Here, we use the level set method to describe the interface between the filling fluid and air. We use polypropylene glycol as a model Newtonian fluid and Carbopol for the model yield stress fluid, as the Carbopol solution demonstrates yielding without thixotropy. To describe the yielding and shear-thinning behavior, we use a generalized Newtonian constitutive equation with a Bingham–Carreau–Yasuda form. We compare the results obtained from the mold filling experiments with the results from the three-dimensional (3D) model and from a reduced-order Hele-Shaw (HS) model that is two-dimensional, including the effect of shear-thinning along the thin direction only approximately. We show that both the 3D and the HS model can capture the experimental meniscus shape reasonably well for all the fluids considered at three different flow rates. This indicates that the shape evolution is insensitive to the dimensionality of the model. However, the viscosity and yield surfaces predicted by the 3D and HS models are different. The HS model underestimates the high viscosity and unyielded regions compared to the estimation by the 3D model.

42 ENGINEERING↗

Interparticle Characterization of Mechanical Biomass Particle-Particle and Particle-Wall Interactions

The biomass materials industry faces significant challenges in managing material variability and its impact on storage and handling systems. Physical properties such as moisture content, particle size, and density fluctuate considerably, leading to operational issues like bridging and ratholing that disrupt material flow. These variations create a complex cascade effect throughout the process chain, affecting transportation, storage, and conversion processes. The economic consequences of this variability manifest in increased operational costs, maintenance requirements, and system downtime. Environmental factors further complicate the situation, as weather conditions and seasonal availability influence material properties and system performance. Engineers employ specialized equipment design, material characterization protocols, and pre-processing steps like size reduction and homogenization to address these challenges. A critical knowledge gap exists between continuous-level constitutive models and particle-scale behavior. This project developed a novel device to quantify interparticle mechanics between biomass particles, measuring friction and adhesion forces between particles and wall materials. The research focused on corn stover and southern pine forest residue, creating a comprehensive database of particle interactions. This breakthrough enables direct application in particle-based computational modeling, advancing the field's understanding of biomass handling characteristics and supporting the development of more reliable and efficient storage and handling systems. The project's outcomes contribute significantly to understanding biomass's mechanical and flow characteristics, particularly how variability at the particle level affects larger-scale handling operations. This knowledge is crucial for engineering feedstock supply systems that consistently meet quality and cost specifications for various conversion processes. The innovative experimental setup developed through this research represents a significant advancement in biomass characterization methodology. Providing precise measurements of particle-level interactions establishes a foundation for more accurate predictive modeling of bulk material behavior. This enhanced understanding of fundamental particle mechanics enables engineers to anticipate better and address handling challenges before they manifest in full-scale operations. This research opens new avenues for optimizing biomass handling systems through data-driven design approaches. The comprehensive database of particle interactions serves as a valuable resource for future research and development efforts, potentially leading to more efficient and cost-effective biomass processing solutions. This advancement in particle-level mechanics could revolutionize how biomass handling systems are designed and operated, contributing to more sustainable and reliable renewable energy production.

09 BIOMASS FUELS↗