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At least 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Fracture Propagation, Fluid Flow, and Geomechanics of Water-Based Hydraulic Fracturing in Shale Gas Systems and Electromagnetic Geophysical Monitoring of Fluid Migration

We investigate fracture propagation induced by hydraulic fracturing with water injection, using numerical simulation. For rigorous, full 3D modeling, we employ a numerical method that can model failure resulting from tensile and shear stresses, dynamic nonlinear permeability, leak-off in all directions, and thermo-poro-mechanical effects with the double porosity approach. Our numerical results indicate that fracture propagation is not the same as propagation of the water front, because fracturing is governed by geomechanics, whereas water saturation is determined by fluid flow. At early times, the water saturation front is almost identical to the fracture tip, suggesting that the fracture is mostly filled with injected water. However, at late times, advance of the water front is retarded compared to fracture propagation, yielding a significant gap between the water front and the fracture top, which is filled with reservoir gas. We also find considerable leak-off of water to the reservoir. The inconsistency between the fracture volume and the volume of injected water cannot properly calculate the fracture length, when it is estimated based on the simple assumption that the fracture is fully saturated with injected water. As an example of flow-geomechanical responses, we identify pressure fluctuation under constant water injection, because hydraulic fracturing is itself a set of many failure processes, in which pressure consistently drops when failure occurs, but fluctuation decreases as the fracture length grows. We also study application of electromagnetic (EM) geophysical methods, because these methods are highly sensitive to changes in porosity and pore-fluid properties due to water injection into gas reservoirs. Employing a 3D finite-element EM geophysical simulator, we evaluate the sensitivity of the crosswell EM method for monitoring fluid movements in shaly reservoirs. For this sensitivity evaluation, reservoir models are generated through the coupled flow-geomechanical simulator and are transformed via a rock-physics model into electrical conductivity models. It is shown that anomalous conductivity distribution in the resulting models is closely related to injected water saturation, but not closely related to newly created unsaturated fractures. Our numerical modeling experiments demonstrate that the crosswell EM method can be highly sensitive to conductivity changes that directly indicate the migration pathways of the injected fluid. Accordingly, the EM method can serve as an effective monitoring tool for distribution of injected fluids (i.e., migration pathways) during hydraulic fracturing operations

02 PETROLEUM↗
DOE OSTI2021

Computational Evaluation of Thermal Response of Open-Cell Foam With Circular Pore (Computional Evaluation of Thermal Response of Open-Cell Foam with Circular Pore)

The evaluation of effective material properties in heterogeneous materials (e.g., composites or multicomponent structures) critically relevant to a wide spectrum of applications, including nuclear power, electronic packaging, flame retardants, hypersonics, and gas turbine power. The work described in this paper is centered around the numerical assessment of the thermal behavior of porous materials obtained from finite element thermal modeling and simulation. Here, two-dimensional, steady state analyses were performed on unit cells with centered, circular pores using a second order accurate Galerkin finite element method (FEM). The effective thermal conductivities of the porous systems were examined, encompassing a range of porosities from 4.9% to 60.1%. The geometries of the models were generated based on ordered circular pores for each modeled porosity level. The system response quantity (SRQ) under investigation was the dimensionless effective thermal conductivity across the unit cell. The dimensionless effective thermal conductivity was compared across all simulated cases, producing a trend between porosity and effective thermal conductivity. In the presented investigation, the method of manufactured solutions (MMS) was used to perform code verification, and the grid convergence index (GCI) was employed to estimate discretization uncertainty as solution verification. Code verification concluded an approximately second order accurate Galerkin FEM solver. It was found that the introduction of porosity to the unit cell material structure reduces effective thermal conductivity, as anticipated. Numerical results obtained in this study are compared to an analytical solution and to a sample of empirical data.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Thermal Safety Analyses for the Production of Plutonium-238 at the High Flux Isotope Reactor

There has been a considerable effort over the previous few years to demonstrate and optimize the production of plutonium-238 ( 238 Pu) at the High Flux Isotope Reactor (HFIR). This effort has involved resources from multiple divisions and facilities at the Oak Ridge National Laboratory (ORNL) to demonstrate the fabrication, irradiation, and chemical processing of targets containing neptunium-237 ( 237 Np) dioxide (NpO 2 )/aluminum (Al) cermet pellets. A critical preliminary step to irradiation at the HFIR is to demonstrate the safety of the target under irradiation via documented experiment safety analyses. The steady-state thermal safety analyses of the target are simulated in a finite element model with the COMSOL Multiphysics code that determines, among other crucial parameters, the limiting maximum temperature in the target. Safety analysis efforts for this model discussed in the present report include: (1) initial modeling of single and reduced-length pellet capsules in order to generate an experimental knowledge base that incorporate initial non-linear contact heat transfer and fission gas equations, (2) modeling efforts for prototypical designs of partially loaded and fully loaded targets using limited available knowledge of fabrication and irradiation characteristics, and (3) the most recent and comprehensive modeling effort of a fully coupled thermo-mechanical approach over the entire fully loaded target domain incorporating burn-up dependent irradiation behavior and measured target and pellet properties, hereafter referred to as the production model. These models are used to conservatively determine several important steady-state parameters including target stresses and temperatures, the limiting condition of which is the maximum temperature with respect to the melting point. The single pellet model results provide a basis for the safety of the irradiations, followed by parametric analyses in the initial prototypical designs that were necessary due to the limiting fabrication and irradiation data available. The calculated parameters in the final production target model are the most accurate and comprehensive, while still conservative. Over 210 permutations in irradiation time and position were evaluated, and are supported by the most recent inputs and highest fidelity methodology. The results of these analyses show that the models presented in this report provide a robust and reliable basis for previous, current and future experiment safety analyses. In addition, they reveal an evolving knowledge of the steady-state behavior of the NpO 2 /Al pellets under irradiation for a variety of target encapsulations and potential conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1987

Finite element analysis of steady and transiently moving/rolling nonlinear viscoelastic structure. II - Shell and three-dimensional simulations

In a three-part series of papers, a generalized finite element solution strategy is developed to handle traveling load problems in rolling, moving and rotating structure. The main thrust of this section consists of the development of three-dimensional and shell type moving elements. In conjunction with this work, a compatible three-dimensional contact strategy is also developed. Based on these modeling capabilities, extensive analytical and experimental benchmarking is presented. Such testing includes traveling loads in rotating structure as well as low- and high-speed rolling contact involving standing wave-type response behavior. These point to the excellent modeling capabilities of moving element strategies.

Kennedy, Ronald↗
DOE OSTI2017

Numerical Modeling Describing the Effects of Heterogeneous Distributions of Asperities on the Quasi-static Evolution of Frictional Slip

A better understanding of how slip accumulates along faults and its relation to the breakdown of shear stress is beneficial to many engineering disciplines, such as, hydraulic fracture and understanding induced seismicity (among others). Asperities forming along a preexisting fault resist the relative motion of the two sides of the interface and occur due to the interaction of the surface topographies. We employ a finite element model to simulate circular partial slip asperities along a nominally flat frictional interface. Shear behavior of our partial slip asperity model closely matched the theory described by Cattaneo. The asperity model was employed to simulate a small section of an experimental fault formed between two bodies of polymethyl methacrylate, which consisted of multiple asperities whose location and sizes were directly measured using a pressure sensitive film. The quasi-static shear behavior of the interface was modeled for cyclical loading conditions, and the frictional dissipation (hysteresis) was normal stress dependent. We further our understanding by synthetically modeling lognormal size distributions of asperities that were randomly distributed in space. Synthetic distributions conserved the real contact area and aspects of the size distributions from the experimental case, allowing us to compare the constitutive behaviors based solely on spacing effects. Traction-slip behavior of the experimental interface appears to be considerably affected by spatial clustering of asperities that was not present in the randomly spaced, synthetic asperity distributions. Finally, estimates of bulk interfacial shear stiffness were determined from the constitutive traction-slip behavior and were comparable to the theoretical estimates of multi-contact interfaces with non-interacting asperities.

58 GEOSCIENCES↗
DOE OSTI2018

A Review of Finite Element Method Models for Nuclear Graphite Applications

Graphite components serve as structural support and as a neutron moderator in multiple nuclear power stations and is also a prospective material in Generation IV reactor concepts. The environment (e.g. high temperature and intense radiation) within a graphite core changes the geometry, microstructure and material properties of the graphite components, that could limit the lifetime (i.e. safe operation) of a reactor. Some of the assessments made for graphite reactor core components include Finite Element Method (FEM) simulations. These simulations are used to estimate the stress state and strain state and probability of failure of irradiated graphite components. FEM also forms part of the validation of measurements or as a complementary technique to experimental procedures in graphite research. A comprehensive overview of FEM methodologies is provided in this review, including: FEM software, basics steps to set up a FEM model, and analytical solutions used to validate simulations for this field of study. In conclusion, the objective of this paper is to inform researchers in the different available FEM techniques and tools used in the research of nuclear graphite.

42 ENGINEERING↗
DOE OSTI2024

Stress relaxation cracking susceptibility evaluation in 347H stainless steel welds

Abstract Stress relaxation cracking (SRC) has been reported as a dominant failure mechanism for 347H stainless steel welds at elevated service temperatures, occurring in either the heat-affected zone (HAZ) or fusion zone (FZ). In this study, SRC susceptibility of physically simulated HAZ and cross-welded E347-347H stainless steel welds was studied using a four-step accelerated SRC test with a thermomechanical physical simulator. The stress and temperature range studied represents weld-induced residual stress at 150–600 MPa and post-weld heat treatment temperatures between 800 and 1050 °C. For all temperature conditions, the cross-welded samples failed at a lower critical stress threshold than the simulated HAZ. A finite element model of a 50.8-mm-thick single-V groove weld was used to generate the residual stress maps induced by a 40-pass welding procedure, which in combination with the experimental threshold stress map predicted potential SRC failure locations. Postmortem microstructural evaluations were performed to identify contributing characteristics to SRC. It was found that HAZ samples exhibited a combination of creep void development, secondary cracks with intergranular fracture near grain boundary carbides, and eutectic phases. FZ samples showed brittle fracture with cracks propagating along straight, non-tortuous interdendritic grain boundaries.

42 ENGINEERING↗
DOE OSTI2026

Enhanced accuracy through ensembling of randomly initialized auto-regressive models for dynamical systems

Computational mechanics simulations using traditional finite element methods (FEM) require prohibitively expensive computational resources for real-time engineering applications, design optimization, and digital twin implementations. While machine learning (ML) surrogate models offer significant computational speedups, autoregressive ML models for time-dependent mechanical systems suffer from error accumulation that compromises long-term prediction reliability - a critical concern for engineering applications where accuracy over extended time horizons is essential for safety and performance assessments. Here, we propose a deep ensemble framework specifically designed to address this challenge in computational mechanics applications, where multiple ML surrogate models with random weight initializations are trained in parallel and their predictions aggregated during inference. This approach leverages statistical diversity to maximize information gain from a fixed set of training data and to mitigate error propagation, while maintaining the computational efficiency that makes ML surrogates attractive for engineering practice. We validate the framework on three representative problems spanning critical areas of computational mechanics: stress field evolution in heterogeneous microstructures under complex loading (relevant to advanced materials design and composite analysis), planetary-scale shallow water dynamics (applicable to environmental and geotechnical engineering), and Gray-Scott reaction-diffusion systems (relevant to mass transport and chemical process engineering). Across all test cases, the ensemble approach demonstrates consistent error reduction of 15-33% compared to individual models. The codes for this work are available on GitHub (https://github.com/Graham-Brady-Research-Group/AutoregressiveEnsemble_SpatioTemporal_Evolution).

autoregressive prediction↗
DOE OSTI2019

Microstructure and residual elastic strain at graphite nodules in ductile cast iron analyzed by synchrotron X-ray microdiffraction

The microstructure and residual elastic strain at graphite nodules (GNs) in ductile cast iron produced using either a fast or slow cooling rate have been characterized using synchrotron 3D X-ray Laue microdiffraction. The results demonstrate that thermal stress is introduced during cooling and that part of this stress is relaxed by plastic deformation of the polycrystalline ferrite matrix. It is observed that the plastic deformation is accommodated by the formation of dislocations and dislocation boundaries, which are organized in a cell structure. The dislocation density quantified based on the microstructure is most pronounced at the GN/matrix interface around small GNs in the fast cooled sample. Residual elastic strain is also present, which is mainly compressive with a maximum of 6.0–9.9 × 10 -4 near the GNs. Gradients of plastic deformation and elastic strain field around the GNs are observed. The results document for the first time that both the elastic strain field and the plastic strain field averaged over the grains around the GNs is approximately scaling with GN size and not affected by the cooling rate. The experimental data are compared with simulations by a finite element method, and agreement and disagreement are considered in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Utilizing computer vision and artificial intelligence algorithms to predict and design the mechanical compression response of direct ink write 3D printed foam replacement structures

Additive Manufacturing (AM) of porous polymeric materials, such as foams, recently became a topic of intensive research due their unique combination of low density, impressive mechanical properties, and stress dissipation capabilities. Conventional methods for fabricating foams rely on complex and stochastic processes, making it challenging to achieve precise architectural control of structured porosity. In contrast, AM provides access to a wide range of printable materials, where precise spatial control over structured porosity can be modulated during the fabrication process enabling the production of foam replacement structures (FRS). Current approaches for designing FRS are based on intuitive understanding of their properties or an extensive number of finite element method (FEM) simulations. These approaches, however, are computationally expensive and time consuming. As such, in this work, we present a novel methodology for determining the mechanical compression response of direct ink write (DIW) 3D printed FRS using a simple cross-sectional image. By obtaining measurement data for a relatively small number of samples, an artificial neural network (ANN) was trained, and a computer vision algorithm was used to make inferences about foam compression characteristics from a single cross-sectional image. Finally, a genetic algorithm (GA) was used to solve the inverse design problem, generating the AM printing parameters that an engineer should use to achieve a desired compression response from a DIW printed FRS. The methods developed herein present an avenue for entirely autonomous design and analysis of additively manufactured structures using artificial intelligence.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Lamellipodial wrinkles in fish keratocytes as markers of imperfect coordination between extension and retraction during cell migration

Highlights: • Migrating fish keratocytes display prominent lamellipodial wrinkles. • A numerical model shows that wrinkles can arise due to compressive stresses. • In the model, wrinkles only arise if the rear of the cell is transiently stuck. • Experimentally pinning the rear of the cell also induces wrinkles. • Wrinkles reflect imbalances between retraction and extension during migration. Cell migration involves the precise coordination between extension at the front of the cell and retraction at the rear. This coordination is particularly evident in fast moving cells such as fish keratocytes, where it leads to highly stable gliding motion, propelled at the front by broad, 0.1-0-2 μm thick lamellipodia. Transient uncoupling between extension and retraction can occur if the rear is temporarily stuck, which might eventually lead to cell shape instabilities. We have frequently observed in fish keratocytes the presence of lamellipodial radial wrinkles, detected by confocal, scanning electron and side-view microscopy as folds in the lamellipodium up to 2 μm in height. Using a linear finite elements analysis, we simulated the displacement of cells either with perfect coordination between extension and retraction or with the rear transiently stuck while the front continues extending, and we observed that in this last condition compression stresses arise in the lamellipodium which predict the formation of the observed pattern of lamellipodial wrinkles. In support of the numerical modeling findings, we observed that the transient halting of retraction at the rear using micromanipulation induced the formation of lamellipodial wrinkles in previously flat lamellipodia. The obtained results suggest that the conspicuous lamellipodial wrinkles observed in migrating fish keratocytes are the product of transient imbalances between front and rear displacements, and are therefore useful markers of the short scale dynamics of extension and retraction coordination during cell migration.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Energy dissipation analysis of elastic–plastic materials

In this article, we present an energy dissipation analysis framework for granular material that is based on thermodynamics. Theoretical formulations are derived from the second law of thermodynamics, in conjunction with a few plausible assumptions on energy transformation and dissipation. The role of plastic free energy is emphasized by a conceptual experiment showing its physical nature. Theoretical formulation is adapted in order to be applied in elastic–plastic finite element method (FEM) simulations. Developed methodology is verified through comparison of input work, stored energy, and energy dissipation of the system. Lastly, separation of plastic work into plastic free energy and energy dissipation removes a common mistake, made in a number of publications, where energy dissipation can attain negative values (energy production) which is impossible.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multi-Objective design of interlocking metasurfaces using conditional diffusion models

Unit cell design remains a major challenge for interlocking metasurfaces, a promising joining technology for dissimilar materials, due to the complex, competing, multivariate design space and the need for rapid adaptation to varying performance requirements. This study explores Conditional Diffusion Models as a design optimization tool for interlocking metasurfaces. Given the complex, competing, multivariate design space for interlocking metasurfaces, unit cell design remains a major challenge for this joining technology. We trained a conditional diffusion model on 25,000 finite element analysis-simulated interlocking metasurface unit cells to generate designs with tailored thermo-mechanical properties (tensile strength, shear strength, and thermal conductivity) based on specified performance criteria. The model demonstrated a success rate of approximately 72 % in producing designs that met specified property bounds. The conditional diffusion model generated both thermally resistive and conductive designs, revealing clear trends in design characteristics: taller, dendritic structures were advantageous for tensile loads, while shorter, robust designs excelled in shear applications. Our findings indicate that the model's performance is more influenced by the breadth of the design space than by the quantity of training data, highlighting the importance of expansive design domains for generating innovative solutions. This work establishes conditional diffusion models as a highly efficient and adaptable tool for rapid interlocking metasurface unit cell design, paving the way for advancements in multi-material joining technologies, as well as highlighting the justification to leverage conditional diffusion models as design tools across complex design domains.

Conditional diffusion models↗
DOE OSTI2013

Fatigue cracking of a bare steel first wall in an inertial confinement fusion chamber

Inertial confinement fusion power plants will deposit high energy X-rays onto the outer surfaces of the first wall many times a second for the lifetime of the plant. These X-rays create brief temperature spikes in the first few microns of the wall, which cause an associated highly compressive stress response on the surface of the material. The periodicity of this stress pulse is a concern due to the possibility of fatigue cracking of the wall. We have used finite element analyses to simulate the conditions present on the first wall in order to evaluate the driving force of crack propagation on fusion-facing surface cracks. Analysis results indicate that the X-ray induced plastic compressive stress creates a region of residual tension on the surface between pulses. This tension film will likely result in surface cracking upon repeated cycling. Additionally, the compressive pulse may induce plasticity ahead of the crack tip, leaving residual tension in its wake. However, the stress amplitude decreases dramatically for depths greater than 80–100 μm into the fusion-facing surface. Crack propagation models as well as stress-life estimates agree that even though small cracks may form on the surface of the wall, they are unlikely to propagate further than 100 μm without assistance from creep or grain erosion phenomena.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Reduced-order microstructure-sensitive protocols to rank-order the transition fatigue resistance of polycrystalline microstructures

We present that the transition fatigue regime between low cycle fatigue (LCF) and high cycle fatigue (HCF) is often addressed in the design and performance evaluation of load-bearing components used in many structural applications. Transition fatigue is characterized by elevated levels of local inelastic deformation in significant regions of the microstructure as compared to HCF. Typically, crystal plasticity finite element method (CPFEM) simulations are performed to model this phenomenon and to rank-order microstructures by their resistance to crack formation and early growth in the regime of transition fatigue. Unfortunately, these approaches require significant computational resources, inhibiting their use to explore novel materials for transition fatigue resistance. Reduced-order, microstructure-sensitive models are needed to accelerate the search for next-generation, fatigue-resistant materials. In a recent study, Paulson et al. (2018) extended the materials knowledge system (MKS) framework for rank-ordering the HCF resistance of polycrystalline microstructures. The efficacy of this approach lies in the reduced-dimensional representation of microstructures through 2-point spatial correlations and principal component analysis (PCA), in addition to the characterization of the HCF response with a small set of performance measures. In this work, these same protocols are critically evaluated for their applicability to rank-order the transition fatigue resistance of the same class of polycrystalline microstructures subjected to increased strain amplitudes. Success in this endeavor requires the formation of homogenization linkages that account for the significantly higher levels of local inelastic deformation and stress redistribution in transition fatigue as compared to HCF. Finally, a set of 12 α-titanium microstructures generated using the open access DREAM.3D software (Groeber and Jackson, 2014) are employed for this evaluation.

2-point correlations↗
DOE OSTI2022

Microstructure-Sensitive modeling of surface roughness and notch effects on extreme value fatigue response

Fatigue life knockdown due to surface roughness induces local stress concentrations. Physical fatigue experiments are crucial to qualify materials for use but are limited in their capability to examine the mechanisms underlying the fatigue crack formation driving force due to these stress concentrations. Microstructure-sensitive computational models can aid in this regard and are employed in this work to examine the effects of surface roughness in Al 7075-T6. Digital microstructure models are subjected to crystal plasticity finite element method (CPFEM) simulations to examine the combined effects of microstructure and grain scale asperities on the driving force for fatigue crack formation. Following elastic–plastic shakedown, mesoscale volume-averaged fatigue indicator parameters (FIPs) are computed within fatigue damage process zones of grains. An increase in the intensity of realistic surface roughness profiles corresponds accordingly to larger FIPs but it is difficult to precisely interpret the mechanisms and effects of this intensification. We thus parametrically investigate surface asperities that couple with microstructure and lack of constraint on slip at the free surface to describe microstructure-sensitive surface roughness knockdown effects on fatigue resistance. The depth of a single valley (i.e., notch) due to surface roughness is found to be more detrimental to fatigue resistance than the radius (i.e., notch width, not to be confused with notch acuity). Finally, we also find that different crystallographic textures, grain morphologies, and number of sampled grains have a limited effect on the depth of influence of these notches.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Optimization of overhang printing in ceramic binder jetting additive manufacturing

Cylindrical-shaped horizontally-hanging overhangs with different heights on a solid cubic body were printed via binder jetting additive manufacturing with sililcon carbide powder feedstock. Cracking on the overhang neck and sagging on the overhang body were observed both pre- and post-curing, especially on printed design with a smaller particle size of 10 μm. Here, it was found that the width of cracking and depth of sagging were dependent on the height relative to the solid body in the powder bed, and elevated position of overhang with large volume of underneath loose powder led to increased extend of cracking and sagging. Overhang diameter and weight were varied, which were found with no apparent effects on its deformation extend. To mitigate cracking and sagging, contactless support was designed and tested, which could significantly improve the overhang stability and avoid any overhang deformations. Support gap and support distance were studied for their effects on support capability. The printing processes with and without contactless support were simulated by a finite element modeling approach to understand the stress distribution and evolution of the overhang structures, which revealed stress concentrations on the upper neck point of the designed overhang.

Binder jetting↗
DOE OSTI2021

Micro-mechanical investigation of the thermo-mechanical properties of micro-architectured tungsten coatings

The thermo-mechanical response of micro-architectured tungsten coatings is characterized in the temperature range of 293 to 673 K using both in situ micro-compression experiments inside a scanning electron microscope (SEM) as well as image-based crystal plasticity finite element method (CPFEM) simulations. The experiments were conducted on micropillar-like specimens that were focus ion beam milled into the coatings, while the simulations were conducted on columnar-grained micropillar simulation cells constructed based on the statistics of the coating’s microstructure. The experimental results show that the stress–strain response and deformation mode exhibit a strong temperature-dependence. At room temperature, catastrophic failure is observed shortly after yield and is manifested in the form of intergranular fracture and buckling of individual columnar grains. With increasing temperature, this catastrophic failure is gradually suppressed and the material exhibits a steadier strain hardening response at 693 K. The CPFEM simulations are also shown to be in good agreement with the experimental results, and these simulations indicate that the material response is strongly influenced by the local crystallographic anisotropy and microstructure inhomogeneity. Furthermore, the simulations capture the underlying mechanisms that control the temperature-dependent transition in deformation mode. The current results highlight that the micro-architectured microstructure offers a great combination of excellent mechanical strength and structural integrity at elevated temperatures, which is of importance for high temperature applications.

36 MATERIALS SCIENCE↗