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Computational simulation methods for composite fracture mechanics

Structural integrity, durability, and damage tolerance of advanced composites are assessed by studying damage initiation at various scales (micro, macro, and global) and accumulation and growth leading to global failure, quantitatively and qualitatively. In addition, various fracture toughness parameters associated with a typical damage and its growth must be determined. Computational structural analysis codes to aid the composite design engineer in performing these tasks were developed. CODSTRAN (COmposite Durability STRuctural ANalysis) is used to qualitatively and quantitatively assess the progressive damage occurring in composite structures due to mechanical and environmental loads. Next, methods are covered that are currently being developed and used at Lewis to predict interlaminar fracture toughness and related parameters of fiber composites given a prescribed damage. The general purpose finite element code MSC/NASTRAN was used to simulate the interlaminar fracture and the associated individual as well as mixed-mode strain energy release rates in fiber composites.

Murthy, Pappu L. N.↗

Integrated Model of the Eye/Optic Nerve Head Biomechanical Environment

Visual Impairment and Intracranial Pressure (VIIP) syndrome is a concern for long-duration space flight. Previously, it has been suggested that ocular changes observed in VIIP syndrome are related to the cephalad fluid shift that results in altered fluid pressures [1]. We are investigating the impact of changes in intracranial pressure (ICP) using a combination of numerical models, which simulate the effects of various environment conditions, including finite element (FE) models of the posterior eye. The specific interest is to understand how altered pressures due to gravitational changes affect the biomechanical environment of tissues of the posterior eye and optic nerve sheath. METHODS: Additional description of the numerical modeling is provided in the IWS abstract by Nelson et al. In brief, to simulate the effects of a cephalad fluid shift on the cardiovascular and ocular systems, we utilized a lumped-parameter compartment model of these systems. The outputs of this lumped-parameter model then inform boundary conditions (pressures) for a finite element model of the optic nerve head (Figure 1). As an example, we show here a simulation of postural change from supine to 15 degree head-down tilt (HDT), with primary outcomes being the predicted change in strains at the optic nerve head (ONH) region, specifically in the lamina cribrosa (LC), retrolaminar optic nerve, and prelaminar neural tissue (PLNT). The strain field can be decomposed into three orthogonal components, denoted as the first, second and third principal strains. We compare the peak tensile (first principal) and compressive (third principal) strains, since elevated strain alters cell phenotype and induces tissue remodeling. RESULTS AND CONCLUSIONS: Our lumped-parameter model predicted an IOP increase of c. 7 mmHg after 21 minutes of 15 degree HDT, which agreed with previous reports of IOP in HDT [1]. The corresponding FEM simulations predicted a relative increase in the magnitudes of the peak tensile and compressive strains in the lamina cribrosa of 42 and 43, respectively (Fig. 2). The corresponding changes in the optic nerve strains were 17 and 39, while in the PLNT they were 47 and 43. These magnitudes of relative elevations in peak strains may induce a phenotypic response in resident mechano-responsive resident cells [2]. This approach may be expanded to investigate other environmental changes (e.g. parabolic flight). Through our VIIP SCHOLAR project, we will validate and improve these integrated models by measuring patient-specific changes in optic nerve sheath geometry in patients with idiopathic intracranial hypertension before and after lumbar puncture and CSF removal.

biomechanics↗

Simulating the Impact Response of Full-Scale Composite Airframe Structures

NASA Langley Research Center obtained a composite helicopter cabin structure in 2010 from the US Army's Survivable Affordable Repairable Airframe Program (SARAP) that was fabricated by Sikorsky Aircraft Corporation. The cabin had been subjected to a vertical drop test in 2008 to evaluate a tilting roof concept to limit the intrusion of overhead masses into the fuselage cabin. Damage to the cabin test article was limited primarily to the roof. Consequently, the roof area was removed and the remaining structure was cut into test specimens including a large subfloor section and a forward framed fuselage section. In 2011, NASA and Sikorsky entered into a cooperative research agreement to study the impact responses of composite airframe structures and to evaluate the capabilities of the explicit transient dynamic finite element code, LS-DYNA®, to simulate these responses including damage initiation and progressive failure. Most of the test articles were manufactured of graphite unidirectional tape composite with a thermoplastic resin system. However, the framed fuselage section was constructed primarily of a plain weave graphite fabric material with a thermoset resin system. Test data were collected from accelerometers and full-field photogrammetry. The focus of this paper will be to document impact testing and simulation results for the longitudinal impact of the subfloor section and the vertical drop test of the forward framed fuselage section.

Fasanella, Edwin L.↗

Effect of Ag3Sn nanoparticles and temperature on Cu6Sn5 IMC growth in Sn-xAg/Cu solder joints

Highlights: • The number density of Ag{sub 3}Sn grains precipitated upon Cu{sub 6}Sn{sub 5}, increases with Ag content and reflow temperature (T). • Raising of wt. % of Ag in solder and lowering of T can cause an increase in grain diameter of Ag{sub 3}Sn nanoparticles. • The blockading effect of Ag{sub 3}Sn particles on Cu{sub 6}Sn{sub 5} IMC growth is more pronounced in Sn-3Ag and Sn-3.5Ag alloys. • IMC suppressing nanoparticles can be utilized for solder materials design. - Abstract: The growing importance of Pb-free Sn-xAg solders and high cost of Ag has attracted the attention of researchers to perform experiment with solders with varied content of Ag element. In this study, Sn-xAg(0,1,2,3.5) solder balls on Cu substrate have been reflowed at 250/275/300 °C for 60 s and air cooled. Finite element method has been utilized to simulate the concentration and temperature during cooling. The experimental results suggest that the Cu flux through grain boundary diffusion is the dominant mechanism for Cu{sub 6}Sn{sub 5} intermetallic compound growth in Pure Sn and Sn-1Ag solders. When the Ag content is increased, as in case of Sn-3Ag and Sn-3.5Ag alloys; the shielding effect of Ag{sub 3}Sn nanoparticles is the determinant factor for affecting the thickness of Cu{sub 6}Sn{sub 5} IMC. Both Cu influx rate and shielding effect of Ag{sub 3}Sn nanoparticles are enhanced with the raise in pre-cooled isothermal reflow temperature. Sn-1Ag solder is observed to have the thickest Cu{sub 6}Sn{sub 5} IMC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Coupled thermal–hydrological–mechanical modeling of CO 2 -enhanced coalbed methane recovery

CO 2 -enhanced coalbed methane recovery, also known as CO 2 -ECBM, is a potential win-win approach for enhanced methane production while simultaneously sequestering injected anthropogenic CO 2 to decrease CO 2 emissions into the atmosphere. Here, CO 2 -ECBM is simulated using a coupled thermal–hydrological–mechanical (THM) numerical model that considers multiphase (gas and water) flow and solubility, multicomponent (CO 2 and CH 4 ) diffusion and adsorption, heat transfer and coal deformation. The coupled model is based on the TOUGH-FLAC simulator, which is applied here for the first time to model CO 2 -ECBM. The capacity of the simulator for modeling methane production is verified by a code-to-code comparison with the general-purpose finite-element solver COMSOL. Then, the TOUGH-FLAC simulator is applied in an isothermal simulation to study the variations in permeability evolution during a CO 2 -ECBM operation while considering four different stress-dependent permeability models that have been implemented into the simulator. Finally, the TOUGH-FLAC simulator is applied in non-isothermal simulations to model THM responses during a CO 2 -ECBM operation.Our simulations show that the permeability evolution, mechanical stress, and deformation are all affected by changes in pressure, temperature and adsorption swelling, with adsorption swelling having the largest effect. The calculated stress changes do not induce any mechanical failure in the coal seam, except near the injection well in one case of a very unfavorable stress field.

01 COAL, LIGNITE, AND PEAT↗

Constraint energy minimizing generalized multiscale finite element method for multi-continuum Richards equations

In fluid flow simulation, the multi-continuum model is a useful strategy. When the heterogeneity and contrast of coefficients are high, the system becomes multiscale, and some kinds of reduced order methods are demanded. Combining these techniques with nonlinearity, we will consider in this paper a dual-continuum model which is generalized as a multi-continuum model for a coupled system of nonlinear Richards equations as unsaturated flows, in complex heterogeneous fractured porous media; and we will solve it by a novel multiscale approach utilizing the constraint energy minimizing generalized multiscale finite element method (CEM-GMsFEM). In particular, such a nonlinear system will be discretized in time and then linearized by Picard iteration (whose global convergence is proved theoretically). Subsequently, we tackle the resulting linearized equations by the CEM-GMsFEM and obtain proper offline multiscale basis functions to span the multiscale space (which contains the pressure solution). More specifically, we first introduce two new sources of samples, and the GMsFEM is used over each coarse block to build local auxiliary multiscale basis functions via solving local spectral problems, that are crucial for detecting high-contrast channels. Second, per oversampled coarse region, local multiscale basis functions are created through the CEM as constrainedly minimizing an energy functional. Various numerical tests for our approach reveal that the error converges with the coarse-grid size and that only few oversampling layers as well as basis functions are needed.

97 MATHEMATICS AND COMPUTING↗

NASA Tech Briefs, October 2003

Topics covered include: Cryogenic Temperature-Gradient Foam/Substrate Tensile Tester; Flight Test of an Intelligent Flight-Control System; Slat Heater Boxes for Thermal Vacuum Testing; System for Testing Thermal Insulation of Pipes; Electrical-Impedance-Based Ice-Thickness Gauges; Simulation System for Training in Laparoscopic Surgery; Flasher Powered by Photovoltaic Cells and Ultracapacitors; Improved Autoassociative Neural Networks; Toroidal-Core Microinductors Biased by Permanent Magnets; Using Correlated Photons to Suppress Background Noise; Atmospheric-Fade-Tolerant Tracking and Pointing in Wireless Optical Communication; Curved Focal-Plane Arrays Using Back-Illuminated High-Purity Photodetectors; Software for Displaying Data from Planetary Rovers; Software for Refining or Coarsening Computational Grids; Software for Diagnosis of Multiple Coordinated Spacecraft; Software Helps Retrieve Information Relevant to the User; Software for Simulating a Complex Robot; Software for Planning Scientific Activities on Mars; Software for Training in Pre-College Mathematics; Switching and Rectification in Carbon-Nanotube Junctions; Scandia-and-Yttria-Stabilized Zirconia for Thermal Barriers; Environmentally Safer, Less Toxic Fire-Extinguishing Agents; Multiaxial Temperature- and Time-Dependent Failure Model; Cloverleaf Vibratory Microgyroscope with Integrated Post; Single-Vector Calibration of Wind-Tunnel Force Balances; Microgyroscope with Vibrating Post as Rotation Transducer; Continuous Tuning and Calibration of Vibratory Gyroscopes; Compact, Pneumatically Actuated Filter Shuttle; Improved Bearingless Switched-Reluctance Motor; Fluorescent Quantum Dots for Biological Labeling; Growing Three-Dimensional Corneal Tissue in a Bioreactor; Scanning Tunneling Optical Resonance Microscopy; The Micro-Arcsecond Metrology Testbed; Detecting Moving Targets by Use of Soliton Resonances; and Finite-Element Methods for Real-Time Simulation of Surgery.

Source record↗

A large deformation multiphase continuum mechanics model for shock loading of soft porous materials

A large deformation, coupled finite-element (FE) model is developed to simulate the multiphase response of soft porous materials subjected to high strain-rate loading. The approach is based on the theory of porous media (TPM) at large deformations. Simplifications to the one-dimensional regime studied in the numerical simulations follow. An overview of several different time integration schemes is presented for the purpose of solving the nonlinear dynamic coupled balance of momenta (mixture and fluid) and balance of mass of the mixture equations. Numerical examples are presented for (i) verification against closed-form analytical solutions assuming small loads, (ii) demonstrating large deformation effects at high strain-rate, and (iii) showing differences in deformations between a single-phase elastodynamics model with occluded compressible pore fluid and a multiphase poroelastodynamics model at high strain-rate. The multiphase model shows that the relative motion of the pore fluid significantly dampens the deformation response of the solid skeleton as compared to the single-phase model, and makes it possible to extract quantitative values for the stresses of the different constituents, thereby allowing one to form preliminary conclusions about the onset of damage in the solid skeleton. The novelty of the current work is developing a multiphase, large deformation, mixture theory numerical model for high strain-rate loading of soft porous materials. It was discovered that explicit, adaptive time-stepping Runge–Kutta schemes offer high accuracy at relatively low cost when compared to traditional implicit or explicit central difference time-stepping schemes for shock-like loadings. Here, shock viscosity is added to the mixture momentum balance equation to regularize the shock front, and a stabilization term is added to the mixture mass balance equation to stabilize equal order interpolation finite elements for the coupled finite element solution of multiphase materials.

Engineering↗

A Mechanistic-Based Healing Model for Self-Healing Glass Seals Used in Solid Oxide Fuel Cells

The usage of self-healing glass as hermetic seals is a recent advancement in sealing technology development for the planar solid oxide fuel cells (SOFCs). Because of its capability of restoring the mechanical properties at elevated temperatures, the self-healing glass seal is expected to provide high reliability in maintaining the long-term structural integrity and functionality of SOFCs. In order to accommodate the design and to evaluate the effectiveness of such engineering seals under various thermo-mechanical operating conditions, computational modeling framework needs to be developed to accurately capture and predict the healing behavior of the glass material. In the present work, a mechanistic-based two-stage model was developed to study the stress and temperature-dependent crack healing of the self-healing glass materials. The model was first calibrated by experimental measurements combined with the kinetic Monte Carlo (kMC) simulation results and then implemented into the finite element analysis (FEA). The effects of various factors, i.e. stress, temperature, crack morphology, on the healing behavior of the glass were investigated and discussed.

30 DIRECT ENERGY CONVERSION↗

Calculation of the piezoelectric and flexoelectric effects in nanowires using a decoupled finite element analysis method

A simple and effective decoupled finite element analysis method was developed for simulating both the piezoelectric and flexoelectric effects of zinc oxide (ZnO) and barium titanate (BTO) nanowires (NWs). The piezoelectric potential distribution on a ZnO NW was calculated under three deformation conditions (cantilever, three-point, and four-point bending) and compared to the conventional fully coupled method. The discrepancies of the electric potential maximums from these two methods were found very small, validating the accuracy and effectiveness of the decoupled method. Both ZnO and BTO NWs yielded very similar potential distributions. Comparing the potential distributions induced by the piezoelectric and flexoelectric effects, we identified that the middle segment of a four-point bending NW beam is the ideal place for measuring the flexoelectric coefficient, because the uniform parallel plate capacitor-like potential distribution in this region is exclusively induced by the flexoelectric effect. This decoupled method could provide a valuable guideline for experimental measurements of the piezoelectric effects and flexoelectric effects in the nanometer scale.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Three-dimensional finite-element analysis of chevron-notched fracture specimens

Stress-intensity factors and load-line displacements were calculated for chevron-notched bar and rod fracture specimens using a three-dimensional finite-element analysis. Both specimens were subjected to simulated wedge loading (either uniform applied displacement or uniform applied load). The chevron-notch sides and crack front were assumed to be straight. Crack-length-to-specimen width ratios (a/w) ranged from 0.4 to 0.7. The width-to-thickness ratio (w/B) was 1.45 or 2. The bar specimens had a height-to-width ratio of 0.435 or 0.5. Finite-element models were composed of singularity elements around the crack front and 8-noded isoparametric elements elsewhere. The models had about 11,000 degrees of freedom. Stress-intensity factors were calculated by using a nodal-force method for distribution along the crack front and by using a compliance method for average values. The stress intensity factors and load-line displacements are presented and compared with experimental solutions from the literature. The stress intensity factors and load-line displacements were about 2.5 and 5 percent lower than the reported experimental values, respectively.

Raju, I. S.↗

Turbomachinery Simulation Impact on Design, Understanding, and Optimization

This presentation shows the impact of Turbomachinery Simulation from simple analytical simulation to high fidelity CFD and Finite Element Analysis on the design of turbomachinery and the understanding of flow physics that is then used to improve design approaches. The impact of Optimization is also presented. The best approach for the tool development is to work with a compressor, fan, or turbine designer or to work on the design process directly. The presentation represents the work and impact of the author over his 45-year career and provides insight for both new and experienced engineers. The presentation explores applications of distortion from a downstream fan frame, the first uses of 3D CFD for fan, compressor and turbine design, and approaches to optimization for performance and structures.

optimization↗

Electrostatic focal spot correction for x-ray tubes operating in strong magnetic fields

Purpose: A close proximity hybrid x-ray/magnetic resonance (XMR) imaging system offers several critical advantages over current XMR system installations that have large separation distances (∼5 m) between the imaging fields of view. The two imaging systems can be placed in close proximity to each other if an x-ray tube can be designed to be immune to the magnetic fringe fields outside of the MR bore. One of the major obstacles to robust x-ray tube design is correcting for the effects of the MR fringe field on the x-ray tube focal spot. Any fringe field component orthogonal to the x-ray tube electric field leads to electron drift altering the path of the electron trajectories. Methods: The method proposed in this study to correct for the electron drift utilizes an external electric field in the direction of the drift. The electric field is created using two electrodes that are positioned adjacent to the cathode. These electrodes are biased with positive and negative potential differences relative to the cathode. The design of the focusing cup assembly is constrained primarily by the strength of the MR fringe field and high voltage standoff distances between the anode, cathode, and the bias electrodes. From these constraints, a focusing cup design suitable for the close proximity XMR system geometry is derived, and a finite element model of this focusing cup geometry is simulated to demonstrate efficacy. A Monte Carlo simulation is performed to determine any effects of the modified focusing cup design on the output x-ray energy spectrum. Results: An orthogonal fringe field magnitude of 65 mT can be compensated for using bias voltages of +15 and −20 kV. These bias voltages are not sufficient to completely correct for larger orthogonal field magnitudes. Using active shielding coils in combination with the bias electrodes provides complete correction at an orthogonal field magnitude of 88.1 mT. Introducing small fields (<10 mT) parallel to the x-ray tube electric field in addition to the orthogonal field does not affect the electrostatic correction technique. However, rotation of the x-ray tube by 30° toward the MR bore increases the parallel magnetic field magnitude (∼72 mT). The presence of this larger parallel field along with the orthogonal field leads to incomplete correction. Monte Carlo simulations demonstrate that the mean energy of the x-ray spectrum is not noticeably affected by the electrostatic correction, but the output flux is reduced by 7.5%. Conclusions: The maximum orthogonal magnetic field magnitude that can be compensated for using the proposed design is 65 mT. Larger orthogonal field magnitudes cannot be completely compensated for because a pure electrostatic approach is limited by the dielectric strength of the vacuum inside the x-ray tube insert. The electrostatic approach also suffers from limitations when there are strong magnetic fields in both the orthogonal and parallel directions because the electrons prefer to stay aligned with the parallel magnetic field. These challenging field conditions can be addressed by using a hybrid correction approach that utilizes both active shielding coils and biasing electrodes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Integration of Electromagnetic Geophysics Forward Simulation in Coupled Flow and Geomechanics for Monitoring a Gas Hydrate Deposit Located in the Ulleung Basin, East Sea, Korea

We investigate the feasibility of electromagnetic (EM) geophysics methods to detect the dissociation of gas hydrate specifically from a gas hydrate deposit located in the Ulleung Basin, East Sea, Korea via an integrated flow-geomechanics-EM geophysics simulation. To this end, coupled flow and geomechanics simulation is first performed with the multiple porosity model employed, where a mixed formulation with the finite volume (FV) and finite element (FE) methods are taken for the flow and geomechanics, respectively. From the saturation and porosity fields obtained from the coupled flow and geomechanics, the electrical conductivity model is established for the EM simulation. Solving the partial differential equation of electrical diffusion which is linearized using the 3D finite element method (FEM), the EM fields are then computed. For numerical experiments, particularly two approaches in the configuration for the EM methods are compared in this contribution: the surface-to-surface and the surface-to-borehole methods. When the surface-to-surface EM method is employed, the EM is found to be less sensitive, implying low detectability. Especially for the short term of production, the low detectability is attributed to the similarity of electrical resistivity between the dissociated gas (CH4) and hydrate as well as the specific dissociation pattern within the intercalated composites of the field. On the other hand, when the surface-to-borehole EM method is employed, its sensitivity to capture the produced gas flow is improved, confirming its detectability in monitoring gas flow. Hence, the EM geophysics simulation integrated with coupled flow and geomechanics can be a potential tool for monitoring gas hydrate deposits.

depressurization↗

Nondestructive Evaluation of Stress Corrosion Cracking in a Welded Steel Plate Using Guided Ultrasonic Waves

Stress corrosion cracking (SCC) had occurred in early-generation high-level nuclear waste tanks constructed by welding carbon steel. This paper describes an ultrasonic inspection system and its fundamental ability to detect and quantify the length of SCC on thick welded steel plates. The finite element method (FEM) was applied to simulate the welding process to estimate the welding residual stress field. Growth of stress corrosion cracks is driven by crack stress intensities exceeding the subcritical cracking threshold intensity. The subject plate was experimentally inspected with ultrasonic nondestructive evaluation (NDE) techniques to characterize the extent of SCC. The NDE system uses a piezoelectric transducer to generate guided waves in the thick steel plate, and a scanning laser Doppler vibrometer (SLDV) to measure multidimensional time–space wavefield data over a user-defined scanning area in the plate surface. The measured wavefield data can show wave interactions in a localized area in the plate due to the presence of the discontinuities of the SCC. To generate an inspection image that can precisely show the crack’s location and/or the dimension, the wavefield data are further processed to generate inspection image that maps the entire sample plate so the crack can be clearly identified in the plate while its length can be readily estimated. In conclusion, the ultrasonic test results for crack length agree well with the visually estimated length and are close to that predicted by the FEM for cracks in the weld residual stress field.

36 MATERIALS SCIENCE↗

Single-Bubble Flow Boiling Phenomena - Interface Tracking Simulation

Boiling, as one of the most efficient heat transfer mechanisms, is widely used in various engineering systems. Better understanding and modeling of this process remains a major challenge in multiphase flow research. The distribution of vapor in boiling system affects the heat transfer rate and may cause unfavorable conditions, such as heater burn-out. A number of flow regimes have been observed experimentally. In general, there are three regimes under boiling conditions: nucleate boiling, transition boiling, and film boiling. The nucleate boiling regime is categorized into partial boiling regime and fully developed nucleate boiling, according to behavior of bubble dynamics and heat transfer characteristics. In the first region, as the wall temperature increases, the fraction of the wall surface subject to nucleate boiling increases until bubble formation occupies the entire heated surface. Heat transfer in this region is a complex mixture of single-phase forced convection and nucleate boiling. As bubble density increases, bubbles turn to coalesce and form insulating vapor patches, which impedes liquid flow back to the surface. The heat transfer rate under this condition reduces dramatically. This point is called Critical Heat Flux (CHF), which leads to boiling crisis. The behavior of boiling crisis is dependent on local fluid conditions due to bubble growth and departure. Experiments are the ultimate tool for boiling model development and verification, but they still lack some capabilities needed for better understanding of the local mechanism of this phenomena. It's difficult to capture many important details at the pressure/temperature conditions of interest using experimental techniques, such as full three dimensional measurements of velocity and temperature distribution and estimates of heat flux partitioning during the boiling process. The interface tracking simulation (ITS) is one of the promising approaches to describe heat transfer of boiling phenomena and their underlying mechanisms. The advances of high performance computing (HPC) in recent years made it possible to apply DNS to a wide variety of adiabatic flows. Some work has been done to implement evaporation / condensation models as well. Lee and Nydahl performed a numerical simulation of bubble growth and departure assuming that the bubble has the shape of a truncated sphere and a micro-layer exists during bubble growth. A 2-D cylindrical bubbles simulation has been done by Son with a simplified model to predict the heat flux in a thin liquid micro-layer. A direct simulation of 2D film boiling is conducted by Juric and Tryggvason. The film boiling, below critical pressure with a modified Level Set Method, is studied by Son and Dhir. Ose and Kunugi have developed a boiling and condensation model on subcooled boiling phenomena. Fuchs performed numerical simulations of bubble growth and departure considering wall conduction effects. Fully transient heat and fluid flow is modeled with a free surface of a rising bubble and a periodic calculation of the whole cycling of a growing, detaching, and rising bubble. Mukherjee and Kandikar have done a numerical simulation of an evaporating meniscus on a moving heated surface with level set method. The heat transfer associated with the advancing and receding contact angle has been studied. To develop the capability of physics-based boiling process, in the presented work the energy and momentum equations are coupled to simulate single-bubble growth scenarios. For a single bubble simulation in infinite liquid, the analytical solution exists and can be compared with the numerical results for verification purposes. The presented capabilities will be utilized in the large scale DNS of boiling flows in the future. The finite-element based code, PHASTA is used for the simulation. It is a parallel, hierarchic, higher-order accurate, adaptive, stabilized, transient analysis flow solver, which has been shown to be an effective tool for a wide range of single and two-phase flow problems. It has been shown to be highly scalable on top supercomputers ({approx}85% scaling on up to 3 million mesh partitions using a 92 billion element mesh . PHASTA has been shown to reliably predict the details of adiabatic bubbly flows as well as single-phase flows with heat transfer. To develop the capability of physics-based boiling process, in the presented work the energy and momentum equations are coupled to simulate a single-bubble growth scenario. For a single bubble growth in superheated water, the analytical solution exists and can be compared with the numerical results for verification purposes. The second-order accurate spatial and time discretization is used for the flow solver in the presented work. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

304L Can Crush Validation Studies

Accurate prediction of ductile behavior of structural alloys up to and including failure is essential in component or system failure assessment, which is necessary for nuclear weapons alteration and life extensions programs of Sandia National Laboratories. Modeling such behavior requires computational capabilities to robustly capture strong nonlinearities (geometric and material), rate- dependent and temperature-dependent properties, and ductile failure mechanisms. This study's objective is to validate numerical simulations of a high-deformation crush of a stainless steel can. The process consists of identifying a suitable can geometry and loading conditions, conducting the laboratory testing, developing a high-quality Sierra/SM simulation, and then drawing comparisons between model and measurement to assess the fitness of the simulation in regards to material model (plasticity), finite element model construction, and failure model. Following previous material model calibration, a J 2 plasticity model with a microstructural BCJ failure model is employed to model the test specimen made of 304L stainless steel. Simulated results are verified and validated through mesh and mass-scaling convergence studies, parameter sensitivity studies, and a comparison to experimental data. The converged mesh and degree of mass-scaling are the mesh discretization with 140,372 elements, and a mass scaling with a target time increment of 1.0e-6 seconds and time step scale factor of 0.5, respectively. Results from the coupled thermal-mechanical explicit dynamic analysis are comparable to the experimental data. Simulated global force vs displacement (F/D) response predicts key points such as yield, ultimate, and kinks of the experimental F/D response. Furthermore, the final deformed shape of the can and field data predicted from the analysis are similar to that of the deformed can, as measured by 3D optical CMM scans and DIC data from the experiment.

36 MATERIALS SCIENCE↗

Electromagnetic Extended Finite Elements for High-Fidelity Multimaterial Problems LDRD Final Report

Surface effects are critical to the accurate simulation of electromagnetics (EM) as current tends to concentrate near material surfaces. Sandia EM applications, which include exploding bridge wires for detonator design, electromagnetic launch of flyer plates for material testing and gun design, lightning blast-through for weapon safety, electromagnetic armor, and magnetic flux compression generators, all require accurate resolution of surface effects. These applications operate in a large deformation regime, where body-fitted meshes are impractical and multimaterial elements are the only feasible option. State-of-the-art methods use various mixture models to approximate the multi-physics of these elements. The empirical nature of these models can significantly compromise the accuracy of the simulation in this very important surface region. We propose to substantially improve the predictive capability of electromagnetic simulations by removing the need for empirical mixture models at material surfaces. We do this by developing an eXtended Finite Element Method (XFEM) and an associated Conformal Decomposition Finite Element Method (CDFEM) which satisfy the physically required compatibility conditions at material interfaces. We demonstrate the effectiveness of these methods for diffusion and diffusion-like problems on node, edge and face elements in 2D and 3D. We also present preliminary work on h -hierarchical elements and remap algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗