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At least 667 records · Page 37

Benchmarking NIMROD continuum kinetic formulations through the steady-state poloidal flow

In this work, continuum kinetic formulations are employed as a mechanism to include closure physics in an extended magnetohydrodynamics model. Two continuum kinetic approaches have been implemented in the plasma fluid code NIMROD [Sovinec et al., “Nonlinear magnetohydrodynamics with high-order finite elements,” J. Comput. Phys. 195, 355 (2004)] including a Chapman–Enskog-like (CEL) formulation and a more conventional df approach. Ion kinetic closure schemes are employed to describe the neoclassical flow properties in axisymmetric toroidal geometry. In particular, predictions for steady-state values of poloidal flow profiles in tokamak geometry are provided using both the df formulation and two different solution techniques for the CEL approach. These results are benchmarked against analytic theory predictions as well as results from the drift kinetic code DK4D. The continuum kinetic formulations employed here show agreement with both the analytic theory and DK4D results, and offer a novel velocity space representation involving higher-order finite elements in pitch angle.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Material Models and Credibility for System Level Abnormal Mechanical ModSim Applications

The purpose of this document is to provide evidence for assessing the adequacy of parameterized material models for a collection of materials used in a finite element analyses setting. “Adequacy” is relative to the intended use of the material in particular analyses. The intended application of the material models covered within this document is for system level abnormal mechanical solid mechanics analyses. Generally, material model parameterizations should be valid from temperatures of approximately -50 to 70° C, across a range of strain rates, and (depending on details of the parts involved) large deformations. Each material covered in this document is presented in its own chapter with a common format across materials. Model assumptions, limitations, existing validation results, readiness for use with uncertainty quantification, general usage guidance, and failure considerations are all provided along with specific parameterization inputs suitable for the finite element analysis code Sierra/Solid Mechanics.

36 MATERIALS SCIENCE↗

Experimental and numerical studies of seismic fluid-structure interaction in a base-supported cylindrical vessel

Seismic design and qualification of advanced reactors will rely heavily on the use of verified and validated numerical models capable of capturing the interaction of the vessel, its contained fluid, and the internal equipment: fluid-structure interaction (FSI) analysis. Analytical solutions can be used for preliminary sizing and design of such vessels but their application is limited to simple geometries and boundary conditions, and small amplitude, translational (and rotational) inputs. To validate numerical models for seismic FSI analysis in finite element codes, a comprehensive set of experiments was performed on a liquid-filled cylindrical vessel, using a 6 degree-of-freedom earthquake simulator. Results in terms of sloshing frequency, damping ratio in sloshing modes, and hydrodynamic responses (wave height, hydrodynamic pressure, base shear, and base moment) for multi-directional earthquake simulator inputs are reported and compared with analytical solutions for liquid-filled vessels. The impact of seismic (base) isolation on hydrodynamic responses was studied using earthquake simulator inputs generated using a virtual isolation system. Data from the experiments are used to validate a numerical model of the fluid-filled vessel using the Arbitrary Lagrangian Eulerian (ALE) solver in the commercial finite element program LS-DYNA. Validation studies are presented for multi-directional seismic inputs, including rocking motions. Lagrangian modeling approaches using an elastic material formulation for the fluid are also investigated and their limitations and possible applications are identified. Here, the results are broadly applicable to the seismic response of base supported, liquid-filled vessels.

58 GEOSCIENCES↗

Evaluation of Structural Lattices for a Davis Gun Earth Penetrator Impact Experiment

The advanced materials team investigated the use of additively manufactured metallic lattice structures for mitigating impact response in a Davis gun earth penetrator impact experiment. High-fidelity finite element models were developed and validated with quasistatic experiments. These models were then used to simulate the response of such lattices when subjected to the acceleration loads expected in the Davis gun experiment. Results reveal how the impact mitigation performance of lattices can change drastically at a certain relative density. Based on these observations, an experiment deck was designed to probe the response of lattices with different relative densities during the Davis gun phase 2 shots. The expected performance of these lattices is predicted before testing based on simulation results. The results of the Davis gun phase 2 shots are expected to provide data which will be used to assess the predictive capability of the finite element simulations in such a complex impact environment.

36 MATERIALS SCIENCE↗

Low-dissipation centred schemes for hyperbolic equations in conservative and non-conservative form

We propose a one-parameter family of low-dissipation centred numerical schemes for solving hyperbolic equations in conservative or non-conservative form, using finite volume or discontinuous Galerkin finite element methods. The new schemes spring out from the multi-dimensional FORCE method and are determined by a single parameter α ≥ 1. Given an increasing sequence of real numbers 1 ≤ α 1 < α 2 < . . . < α K , there corresponds a sequence of numerical schemes with stability restriction associated to a decreasing sequence of Courant numbers 1 > c 1 > c 2 > . . . > c K > 0 and a decreasing sequence of corresponding numerical viscosity functions d 1 > d 2 > . . . > d K . For a given Courant number c k ≤ 1 there is a real number α k > 0 and a corresponding stable scheme with minimal numerical viscosity d k . The proposed schemes suit very well the family of high-order discontinuous Galerkin finite element methods and the recently proposed class of ADER-TR schemes, whose orders of accuracy define decreasing sequences of Courant numbers, as the order of accuracy increases. The centred methods of this paper are stable in 2D and 3D in the frame of simultaneous updating formulae, unlike other centred methods, such as 1D FORCE, which are not. Furthermore, the schemes are highly accurate for slowly-moving waves, which is precisely the kind of waves that traditional centred methods smear disastrously. Additional features of the proposed schemes include ease of implementation and applicability to any hyperbolic system either in conservative or non-conservative form. Here, the proposed schemes are analysed and computationally assessed through a suite of test problems for a linear model system, for the Euler equations in one and two space dimensions, and for the Baer-Nunziato equations for compressible two-phase flow.

97 MATHEMATICS AND COMPUTING↗

Sprain energy consequences for damage localization and fracture mechanics

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

Science & Technology - Other Topics↗

Mesh objective stochastic simulations of quasibrittle fracture

Continuum finite element (FE) modeling of damage and failure of quasibrittle structures suffers from the spurious mesh sensitivity due to strain localization. Here this issue has been addressed for deterministic analysis through the development of localization limiters. Here this study proposes a mechanism-based model to mitigate the mesh sensitivity in stochastic FE simulations of quasibrittle fracture. The interest is placed on the analysis of large-size structures, where the mesh size is conveniently chosen to be larger than the width of the fracture process zone as well as the correlation length of the random fields of constitutive properties. The present model is formulated within the framework of continuum damage mechanics. Two localization parameters are introduced to describe the evolution of the damage pattern of each finite element. These parameters are used to guide the energy regularization of the constitutive law, as well as to formulate the mesh-dependent probability distributions of constitutive properties. Depending on the prevailing damage pattern, different energy regularization schemes and mesh dependence of the probability distribution functions are used in the constitutive law. The model is applied to simulate the stochastic failure behavior of quasibrittle structures of different geometries featuring different failure processes including damage initiation, localization, and propagation. It is shown that using fixed probability distribution functions of constitutive properties could lead to strong mesh dependence of the prediction of the mean and variance of the structural load capacity. The probability distribution functions of constitutive properties must be linked to the damage pattern, which may evolve during the failure process. Such a mechanism-based modeling of the probability distributions of constitutive properties is essential for mitigating the spurious mesh sensitivity in stochastic FE analysis of quasibrittle fracture.

42 ENGINEERING↗

Laser Shock Modeling Archival Discussion

The purpose of this discussion is to provide archival information related to the Laser Shock finite element modeling effort. As discussed in Laser Shock System, Assessing bond strength in layered materials (see Section 8.0), the Laser Shock System creates a high-amplitude shockwave on the frontside of a structure (i.e. an aluminum 6061-T6 plate for this discussion) via a high-energy pulsed laser. The shock wave is monitored on the back surface of the structure as a velocity time history. It is a compressive wave as it comes to the back surface but reflects as a tensile wave. If a bond exists in the structure and the reflected tensile wave exceeds its interface threshold stress, then bond rupture occurs. The desire of the Laser Shock effort is to establish (with multiple tests) an ultimate bond strength which can be used for fuel plate design calculations. In this process, the finite element modeling effort is the catalyst to mimic the Laser Shock tests and provide the damage information at the bond that is useful for fuel plate design calculations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Simulation of a TRISO MiniFuel irradiation experiment with data-informed uncertainty quantification

An irradiation experiment using tristructural isotropic (TRISO) fuel particles and the miniature fuel (MiniFuel) irradiation vehicle was performed in Oak Ridge National Laboratory’s High Flux Isotope Reactor (HFIR) to support development of the Kairos Power fluoride salt–cooled, high-temperature reactor (KP-FHR). Here, this paper describes modeling predictions of temperatures and fuel burnup for the as-built experiment. An uncertainty quantification (UQ) analysis was performed to determine the effect of TRISO particle volume and position on the temperature predictions at various fuel heat generation rates (HGRs). This UQ study utilized fuel kernel position and volume measurements previously collected using X-ray computed tomography (XCT) techniques and Monte Carlo sampling methods to generate fuel compact cases that were then analyzed using a finite element thermal model. The UQ analysis indicated that uncertainty in calculated temperatures caused by varying TRISO particle arrangement is relatively small, even at high fuel HGR. Final predictions of particle temperatures throughout the irradiation are shown to be relevant to KP-FHR normal and off-normal operating conditions and to previous TRISO irradiation experiments. The combination of XCT with UQ analyses will inform post-irradiation examination (PIE) of the irradiated fuel compacts, and these analyses can be used to develop fuel performance models for coated particle fuel forms. Both PIE of separate-effects irradiation data and enhanced fuel performance modeling support accelerated qualification of TRISO fuels for a broad range of advanced reactor applications. The novel approach demonstrated here of measuring TRISO particle configurations with XCT methods and generating representative fuel compacts for finite element modeling and UQ analysis could be leveraged by the broader particle fuel community in the development of other TRISO fuel experiments in which these variables may have a significant impact on key outcomes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

From Well Log to Formation Model: A Novel Laboratory Calibrated Methodology with Demonstration

This work demonstrates how the characterization and modeling of both elastic and creep properties are essential to describe zones in layered rock formations as either low-stress targets for stimulation or high-stress barriers to fracture growth. Prediction of fracture height is critical for designing stimulation operations in oil and gas wells. Ideally, fractures are placed in target zones which will produce hydrocarbons and should not propagate into zones expected to be unproductive or to produce unwanted fluids such as water which in turn must be treated and/or disposed. The essential task in designing stimulation plans is predicting which zones have low horizontal stresses and which will be high-stress barriers to fracture growth. Despite this importance, there are gaps in current knowledge and a complete workflow from laboratory characterization to a finite element model which includes time dependent rock deformation is required. While the research and methodology presented here also have application to CO 2or hydrogen storage, wastewater injection, and geothermal applications, the focus will be on hydrocarbon extraction. This thesis presents the results of a characterization-to-prediction workflow for the Caney shale, which is an emerging hydrocarbon resource in Oklahoma, USA. It begins with an investigation to enable critical evaluation of the Caney zonation into nominally “brittle” and “ductile” zones based on properties observed from well logs. It shows none of the zones are consistently “brittle” or “ductile” mechanical behavior based on the variety of definitions of these terms. However, the nominally ductile zones are weaker and more prone to creep. A laboratory investigation of samples including strength, elastic, and creep properties, is then used in a finite element model of stress evolution. The model includes both elastic deformation and viscoplastic creep. Results predict the least creep-prone layers to have the lowest horizontal stresses, therefore comprising hydraulic fracturing targets. The most creep-prone layers attain a horizontal stress similar to the vertical stress and therefore are predicted to be high stress barriers to hydraulic fracture stimulation. In addition to defining stimulation target intervals, the model shows how as tectonic strain rate increases, there is a transition from creep-dominated stresses to stresses dominated by elasticity.

Benge, Margaret↗

Thermal modeling of directed energy deposition additive manufacturing using graph theory

Purpose: The purpose of this paper is to develop, apply and validate a mesh-free graph theory–based approach for rapid thermal modeling of the directed energy deposition (DED) additive manufacturing (AM) process. Design/methodology/approach: Here, the authors develop a novel mesh-free graph theory–based approach to predict the thermal history of the DED process. Subsequently, the authors validated the graph theory predicted temperature trends using experimental temperature data for DED of titanium alloy parts (Ti-6Al-4V). Temperature trends were tracked by embedding thermocouples in the substrate. The DED process was simulated using the graph theory approach, and the thermal history predictions were validated based on the data from the thermocouples. Findings: The temperature trends predicted by the graph theory approach have mean absolute percentage error of approximately 11% and root mean square error of 23°C when compared to the experimental data. Moreover, the graph theory simulation was obtained within 4 min using desktop computing resources, which is less than the build time of 25 min. By comparison, a finite element–based model required 136 min to converge to similar level of error. Research limitations/implications: This study uses data from fixed thermocouples when printing thin-wall DED parts. In the future, the authors will incorporate infrared thermal camera data from large parts. Practical implications: The DED process is particularly valuable for near-net shape manufacturing, repair and remanufacturing applications. However, DED parts are often afflicted with flaws, such as cracking and distortion. In DED, flaw formation is largely governed by the intensity and spatial distribution of heat in the part during the process, often referred to as the thermal history. Accordingly, fast and accurate thermal models to predict the thermal history are necessary to understand and preclude flaw formation. Originality/value: This paper presents a new mesh-free computational thermal modeling approach based on graph theory (network science) and applies it to DED. The approach eschews the tedious and computationally demanding meshing aspect of finite element modeling and allows rapid simulation of the thermal history in additive manufacturing. Although the graph theory has been applied to thermal modeling of laser powder bed fusion (LPBF), there are distinct phenomenological differences between DED and LPBF that necessitate substantial modifications to the graph theory approach.

42 ENGINEERING↗

Effects of Encapsulant Properties on the Thermo-Mechanical Reliability of Double-Side Cooled Power Modules for Traction Inverters

Double-side cooled power modules are being developed for next-generation traction inverters due to their better heat extraction, lower profile, and lower parasitic inductances. However, due to their rigid structure, they cause reliability concerns arising from high thermo-mechanical stresses at the interconnection joints in the module. In this work, a materials-based approach using rigid encapsulants is presented for reducing thermo-mechanical fatigue. Finite-element thermo- mechanical simulations were performed to examine the effects of the elastic modulus and coefficient of thermal expansion of epoxy- based encapsulants on the bond deformation inside a double-side cooled power module. It was found that a rigid encapsulant with a high modulus of 6.0 GPa or above and a coefficient of thermal expansion around 20 ppm/oC would improve the thermo- mechanical reliability of double-side cooled power modules by decreasing the permanent bond deformation inside the modules by 50-60%.

ADVANCED PROPULSION SYSTEMS↗

Uncertainty quantification in elastic constants of SiC f /SiC m tubular composites using global sensitivity analysis

Silicon carbide fiber and silicon carbide matrix (SiC f /SiC m ) tubes produced through the chemical vapor infiltration process have become a candidate cladding material in nuclear applications. The performance of this composite is influenced by many variables such as braiding angle, porosity, material properties, etc., which vary over a range of values due to the inherent fluctuations in the manufacturing process. In this study, the variability in elastic constants of SiC f /SiC m composite has been quantified through multiscale finite element (FE) simulations, variable screening, and high-fidelity surrogate modeling. The key variables dominantly affecting the elastic constants of SiC f /SiC m tubes were identified using global sensitivity analysis. A surrogate to the high-fidelity FE-based model was used in Monte Carlo simulations to generate a hundred thousand samples from which the uncertainty in elastic constants was assessed. It turned out that the coefficient of variation was less than 10%.

Materials Science↗

Residual stresses in Cu matrix composite surface deposits after laser melt injection

Abstract Tungsten carbide particles reinforced metal matrix composite (MMC) coatings can significantly improve surface wear resistance owing to their increased surface hardness. However, the presence of macro‐ and micro‐residual stresses in MMC coatings can have detrimental effects, such as reducing service life. In this study, neutron diffraction was used to determine the residual stresses in spherical fused tungsten carbide (sFTC) reinforced Cu matrix composite surface deposits after laser melt injection. We also developed a thermo‐mechanical coupled finite element model to predict residual stresses. Our findings reveal that sFTC/Cu composite deposits produced with a preheating temperature of 400°C have low residual stresses, with a maximum tensile residual stress of 98 MPa in the Cu matrix on the top surface. In contrast, the sFTC/bronze (CuAl10Ni5Fe4) composite deposit exhibits very high residual stresses, with a maximum tensile residual stress in the Cu matrix on the top surface reaching 651 MPa. These results provide a better understanding of the magnitudes and distributions of residual stresses in sFTC‐reinforced Cu matrix composite surface deposits manufactured via laser melt injection.

Zhang, Xingxing↗

Photo-oxidation of semicrystalline polymers: Effect of stress triaxiality on ductility

The effect of stress triaxiality on the strain-to-fracture of as-received and photo-oxidized polyamide-6 (PA-6) was investigated using mechanical testing, synchrotron X-ray tomography, and finite element analyses. Mechanical tests were conducted on cylindrical and round notched specimens, where different notch radii were used to vary the stress triaxiality. The specimens were aged by exposure to ultra-violet (UV) radiation at 60∘, causing photo-oxidation. As-received and so-aged specimens were loaded to failure (complete loss of load carrying capacity). For both unaged and aged specimens, a higher triaxiality led to a lower strain-to-fracture. To elucidate the micromechanical damage that mediates fracture in both conditions, specimens with an intermediate notch sharpness were loaded to the peak load, unloaded, and scanned ex situ using synchrotron X-ray tomography. Damage in the unaged bar was found to occur by cavitation and was concentrated at the center of the specimen, where the triaxiality is highest. In the UV-aged bar, a network of inter-connected chemical cracks were found on the notch surface, where the triaxiality is lowest. Finite element analyses were deployed to approximate the local triaxiality at damaged regions in the unaged and UV-aged specimens using a constitutive relation for semicrystalline polymers. From these analyses, the relationship between local triaxiality and strain-to-fracture was quantified for both unaged and photo-oxidized PA-6. Both unaged and photo-oxidized PA-6 showed similar decreases in ductility with triaxiality, hinting at common ductile fracture processes.

36 MATERIALS SCIENCE↗

Novel Transformer with Variable Leakage and Magnetizing Inductances

This paper introduces the concept of a novel variable inductance transformer (VIT) whose leakage and magnetizing inductances can be varied dynamically and independently to aid the advancement of research in isolated power electronic converters. In this transformer, the leakage inductance can be varied by varying the length of overlap between the primary and secondary windings, while the magnetizing inductance can be varied by varying the air gap between the core legs. Individual controls for the two inductances ensure that one can be varied independent of the other, as needed to satisfy different power conversion objectives. In this paper, the analytical models of the variable leakage and magnetizing inductances are presented. Analytical results are compared with those obtained from Finite Element Method (FEM) and an experimental prototype of a VIT. Analytical solutions of the variable leakage inductance present an error of less than 2.35 % when compared to FEM solutions, while the analytical solutions of the variable magnetizing inductance present a maximum error of 1.82 % when compared to experimental measurements.

image method, leakage inductance, magnetizing indu↗

New Hybrid Model for Evaluating the Frequency-Dependent Leakage Inductance of a Variable Inductance Transformer (VIT)

Skin and proximity effects can cause a significant drop in the effective leakage inductance of a transformer when the operating frequency is increased. Although the magnetic image method-based double-2-D model can calculate the lowfrequency leakage inductance with sufficient accuracy, it is inherently a frequency-independent model. While Dowell’s 1-D model uses frequency-dependent relations to account for both skin and proximity effects, its accuracy is severely affected by the assumed winding geometry. In this paper, a hybrid model is proposed that uses superposition to combine a modified Dowell’s model with the double-2-D model. The proposed model is investigated on a variable inductance transformer (VIT)—a partially-filled transformer whose leakage inductance can be varied by moving one of the windings mechanically. The frequency-dependent leakage inductances of the VIT evaluated using the hybrid model are in excellent agreement with the corresponding finite element method (FEM) simulated and experimentally measured values, thereby validating the proposed hybrid model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) replication transcription complex (RTC) is a multi-domain protein responsible for replicating and transcribing the viral mRNA inside a human cell. Attacking RTC function with pharmaceutical compounds is a pathway to treating COVID-19. Conventional tools, e.g., cryo-electron microscopy and all-atom molecular dynamics (AAMD), do not provide sufficiently high resolution or timescale to capture important dynamics of this molecular machine. Consequently, we develop an innovative workflow that bridges the gap between these resolutions, using mesoscale fluctuating finite element analysis (FFEA) continuum simulations and a hierarchy of AI-methods that continually learn and infer features for maintaining consistency between AAMD and FFEA simulations. We leverage a multi-site distributed workflow manager to orchestrate AI, FFEA, and AAMD jobs, providing optimal resource utilization across HPC centers. Our study provides unprecedented access to study the SARS-CoV-2 RTC machinery, while providing general capability for AI-enabled multi-resolution simulations at scale.

Trifan, Anda↗