Reduced-physics model with symbolic regression using Bingo for fatigue life prediction of welds in shell structures.
Abstract not provided.
Carlson, Keven↗
SEARCH · Engineering Papers
Results for “SHELL MODELS”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Direct drive: Simulations and results from the National Ignition Facility
Direct-drive implosion physics is being investigated at the National Ignition Facility. The primary goal of the experiments is twofold: to validate modeling related to implosion velocity and to estimate the magnitude of hot-electron preheat. Implosion experiments indicate that the energetics is well-modeled when cross-beam energy transfer (CBET) is included in the simulation and an overall multiplier to the CBET gain factor is employed; time-resolved scattered light and scattered-light spectra display the correct trends. Trajectories from backlit images are well modeled, although those from measured self-emission images indicate increased shell thickness and reduced shell density relative to simulations. Sensitivity analyses indicate that the most likely cause for the density reduction is nonuniformity growth seeded by laser imprint and not laser-energy coupling. Hot-electron preheat is at tolerable levels in the ongoing experiments, although it is expected to increase after the mitigation of CBET. Future work will include continued model validation, imprint measurements, and mitigation of CBET and hot-electron preheat.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Nonlinear Analysis and Modeling of Tires
The objective of the study was to develop efficient modeling techniques and computational strategies for: (1) predicting the nonlinear response of tires subjected to inflation pressure, mechanical and thermal loads; (2) determining the footprint region, and analyzing the tire pavement contact problem, including the effect of friction; and (3) determining the sensitivity of the tire response (displacements, stresses, strain energy, contact pressures and contact area) to variations in the different material and geometric parameters. Two computational strategies were developed. In the first strategy the tire was modeled by using either a two-dimensional shear flexible mixed shell finite elements or a quasi-three-dimensional solid model. The contact conditions were incorporated into the formulation by using a perturbed Lagrangian approach. A number of model reduction techniques were applied to substantially reduce the number of degrees of freedom used in describing the response outside the contact region. The second strategy exploited the axial symmetry of the undeformed tire, and uses cylindrical coordinates in the development of three-dimensional elements for modeling each of the different parts of the tire cross section. Model reduction techniques are also used with this strategy.
Noor, Ahmed K.↗
Reactive flow modeling of initial density effect on divergence JB-9014 detonation driving
A serious of experiments were designed and the results were represented in this paper, in which 2 mm thickness cooper shells were impacted by explosives named JB-9014 with different densities, and the surface velocities of the OFHC shells were measured. The comparison of experimental data shows the free surface velocity of the OFHC shell increase with the IHE density. Numerical modeling, which occupied phenomenological reactive flow rate model using the two-dimensional Lagrange hydrodynamic code, were carried out to simulate the above experiments, and empirical adjustments on detonation velocity and pressure and Pier Tang’s adjustments on EOS of detonation products were both introduced in our numerical simulation work. The computational results agree well with that of experiments, and the numerical results with original parameters of products and the adjusted ones of JB-9014 could describe the density effect distinctly.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Solvation Structure of 237 Np 4+ in a Noncomplexing Environment
Here, the solvation structure of an Np 4+ ion in an aqueous, noncomplexing and nonoxidizing environment of trifluoromethanesulfonic (triflic) acid was investigated with X-ray absorption spectroscopy (XAS) combined with ab initio molecular dynamics (AIMD) and time-dependent density functional theory (TDDFT) calculations. Np L III -edge X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) data were collected for Np 4+ in 1, 3, and 7 M triflic acid using a laboratory-scale spectrometer and separately at a synchrotron facility, producing data sets in excellent agreement. TDDFT calculations revealed a weak pre-edge feature not previously reported for Np L III -edge XANES. AIMD modeling results showed differences in the hydration shell of the Np 4+ ion at different concentrations of triflic acid; these results are supported by the experiment. EXAFS fit models to the experiment resulted in similar coordination of Np 4+ in noncomplexing aqueous media as reported in the literature for 1 M perchloric acid but, together with calculations, revealed more than one distance between Np and O atoms in 7 M triflic acid. These results imply monodentate coordination with sulfonate groups in 7 M triflic acid and suggest the possibility of proto-neptunyl species in relatively low-concentration Np 4+ acid solutions.
Boglaienko, Daria V. [Pacific Northwest National L↗
Testing techniques and comparisons between theory and test for vibration modes of ring stiffened truncated-cone shells.
Vibration tests were carried out on truncated-cone shells with widely spaced ring stiffeners. The models were excited by an air shaker for LF modes and by small electrodynamic shakers for HF modes. The Novozhilov thin shell theory according to which a ring is an assembly of an arbitrary number of segments, each being a short truncated-cone shell of uniform thickness, is used in the analysis of the results. A mobile, noncontacting, displacement-sensitive sensor system developed by the author was used in the tests. Tests results are given for a free-free 60-deg cone and for a clamped-free 60-deg cone. The tests are characterized as having considerable value for the classification of prevalent multimode responses in shells of this type.
Naumann, E. C.↗
Analysis of shell type structures subjected to time dependent mechanical and thermal loading
A general mathematical model and solution methodologies for analyzing structural response of thin, metallic shell-type structures under large transient, cyclic or static thermomechanical loads is considered. Among the system responses, which are associated with these load conditions, are thermal buckling, creep buckling and ratchetting. Thus, geometric as well as material-type nonlinearities (of high order) can be anticipated and must be considered in the development of the mathematical model.
Simitses, G. J.↗
Helfrich-Hurault elastic instabilities driven by geometrical frustration
Here, the Helfrich-Hurault (HH) elastic instability is a well-known mechanism behind patterns that form as a result of strain upon liquid crystal systems with periodic ground states. In the HH model, layered structures undulate and buckle in response to local, geometric incompatibilities in order to maintain the preferred layer spacing. Classic HH systems include cholesteric liquid crystals under electromagnetic field distortions and smectic liquid crystals under mechanical strains, where both materials are confined between rigid substrates. However, richer phenomena are observed when undulation instabilities occur in the presence of deformable interfaces and variable boundary conditions. Understanding how the HH instability is affected by deformable surfaces is imperative for applying the instability to a broader range of materials. In this review, the HH mechanism is reexamined and special focus is given to how the boundary conditions influence the response of lamellar systems to geometrical frustration. Lamellar liquid crystals confined within a spherical shell geometry are used as the model system. Made possible by the relatively recent advances in microfluidics within the past 15 years, liquid crystal shells are composed entirely of fluid interfaces and have boundary conditions that can be dynamically controlled at will. Past and recent work that exemplifies how topological constraints, molecular anchoring conditions, and boundary curvature can trigger the HH mechanism in liquid crystals with periodic ground states is examined. The review ends by identifying similar phenomena across a wide variety of materials, both biological and synthetic. The fact that the HH mechanism is a generic and often overlooked response of periodic materials to geometrical frustration is highlighted.
42 ENGINEERING↗
Radiative lifetimes of zincblende CdSe/CdS quantum dots
Recent synthetic advances have made available very monodisperse zincblende CdSe/CdS quantum dots having near-unity photoluminescence quantum yields. Because of the absence of nonradiative decay pathways, accurate values of the radiative lifetimes can be obtained from time-resolved PL measurements. Radiative lifetimes can also be obtained from the Einstein relations, using the static absorption spectra and the relative thermal populations in the angular momentum sublevels. We found that one of the inputs into these calculations is the shell thickness, and it is useful to be able to determine shell thickness from spectroscopic measurements. We use an empirically corrected effective mass model to produce a “map” of exciton wavelength as a function of core size and shell thickness. These calculations use an elastic continuum model and the known lattice and elastic constants to include the effect of lattice strain on the band gap energy. The map is in agreement with the known CdSe sizing curve and with the shell thicknesses of zincblende core/shell particles obtained from TEM images. Furthermore, if selenium–sulfur diffusion is included and lattice strain is omitted from the calculation then the resulting map is appropriate for wurtzite CdSe/CdS quantum dots synthesized at high temperatures, and this map is very similar to one previously reported (J. Am. Chem. Soc. 2009, 131, 14299). Radiative lifetimes determined from time-resolved measurements are compared to values obtained from the Einstein relations, and found to be in excellent agreement. For a specific core size (2.64 nm diameter, in the present case), radiative lifetimes are found to decrease with increasing shell thickness. Thus, this is similar to the size dependence of one-component CdSe quantum dots and in contrast to the size dependence in type-II quantum dots.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A balancing act: manipulating reactivity of shape-controlled metal nanocatalysts through bimetallic architecture
Manipulating the electronic structure of metal nanocrystals is one way of altering their catalytic activities. This ability is demonstrated by introducing a Au interior to shape-controlled Pd nanocrystals, producing core@shell Au@Pd nanoparticles with varying shell thicknesses. As revealed by X-ray photoelectron spectroscopy, the electronic structure of the Pd shell depends on its thickness. These core@shell nanocrystals were used to catalyze two model reactions: selective hydrogenation of 2-hexyne and oxidation of formic acid, where different reactivities were found also as a function of shell thickness. The comparison of particles with varying bimetallic architecture but identical geometric features provides insight into how electronic regulation in a catalytic reaction can be achieved. Finally, it is concluded that a balance in binding interaction between the molecular substrate and catalyst surface is necessary to design an efficient catalyst and can be achieved with shape-controlled core@shell nanocrystals.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Application of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC: The Concept of the Apparent Lattice Parameter (alp)
Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.
Palosz, B.↗
Deep generative modeling for volume reconstruction in cryo-electron microscopy
Not Available
59 BASIC BIOLOGICAL SCIENCES↗
Incorporation of Plasticity and Damage Into an Orthotropic Three-Dimensional Model with Tabulated Input Suitable for Use in Composite Impact Problems
The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites under impact conditions is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within commercial transient dynamic finite element codes, several features have been identified as being lacking in the currently available material models that could substantially enhance the predictive capability of the impact simulations. A specific desired feature pertains to the incorporation of both plasticity and damage within the material model. Another desired feature relates to using experimentally based tabulated stress-strain input to define the evolution of plasticity and damage as opposed to specifying discrete input properties (such as modulus and strength) and employing analytical functions to track the response of the material. To begin to address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed for implementation within the commercial code LS-DYNA. The plasticity model is based on extending the Tsai-Wu composite failure model into a strain-hardening based orthotropic plasticity model with a non-associative flow rule. The evolution of the yield surface is determined based on tabulated stress-strain curves in the various normal and shear directions and is tracked using the effective plastic strain. The effective plastic strain is computed by using the non-associative flow rule in combination with appropriate numerical methods. To compute the evolution of damage, a strain equivalent semi-coupled formulation is used, in which a load in one direction results in a stiffness reduction in multiple coordinate directions. A specific laminated composite is examined to demonstrate the process of characterizing and analyzing the response of a composite using the developed model.
Impact↗
Incorporation of Plasticity and Damage Into an Orthotropic Three-Dimensional Model with Tabulated Input Suitable for Use in Composite Impact Problems
The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites under impact conditions is becoming critical as these materials are gaining increased usage in the aerospace and automotive industries. While there are several composite material models currently available within commercial transient dynamic finite element codes, several features have been identified as being lacking in the currently available material models that could substantially enhance the predictive capability of the impact simulations. A specific desired feature pertains to the incorporation of both plasticity and damage within the material model. Another desired feature relates to using experimentally based tabulated stress-strain input to define the evolution of plasticity and damage as opposed to specifying discrete input properties (such as modulus and strength) and employing analytical functions to track the response of the material. To begin to address these needs, a combined plasticity and damage model suitable for use with both solid and shell elements is being developed for implementation within the commercial code LS-DYNA. The plasticity model is based on extending the Tsai-Wu composite failure model into a strain-hardening based orthotropic plasticity model with a non-associative flow rule. The evolution of the yield surface is determined based on tabulated stress-strain curves in the various normal and shear directions and is tracked using the effective plastic strain. The effective plastic strain is computed by using the non-associative flow rule in combination with appropriate numerical methods. To compute the evolution of damage, a strain equivalent semi-coupled formulation is used, in which a load in one direction results in a stiffness reduction in multiple coordinate directions. A specific laminated composite is examined to demonstrate the process of characterizing and analyzing the response of a composite using the developed model.
Impact↗
Technoeconomic optimization of superalloy supercritical CO 2 microtube shell-and-tube-heat exchangers
Heat exchangers are critical components of aerospace systems and improve efficiency of operation by providing waste heat recovery. Supercritical CO has emerged as a promising candidate working fluid due to its potential in increasing the power density of heat exchangers. In this paper, a generalized costing model is developed to estimate the capital costs incurred to manufacture microtube shell-and-tube heat exchangers. This model is utilized in conjunction with an accurate and efficient 2D numerical shell-and-tube heat exchanger performance prediction model to conduct optimization studies with two key objectives – minimization of cost and maximization of heat exchanger power density – on supercritical CO microtube heat exchangers utilizing superalloy Haynes 282 as the solid material. A methodology is then demonstrated to optimize these heat exchangers using Particle Swarm Optimization for aerospace applications and highly compact and cost-effective optimal designs with power density around 20 and cost per conductance less than 5 $ ∙ K/W are obtained.
42 ENGINEERING↗
Independent Fuel Property Effects of Fuel Volatility on Low Temperature Heat Release and Fuel Autoignition (Final Report)
This Cooperative Research and Development Agreement (CRADA) project between Argonne National Laboratory (ANL), Oak Ridge National Laboratory (ORNL), and Shell Global Solutions (Shell) was initiated as part of a Directed Funding Opportunity (DFO) call for proposals from the Co-Optimization of Fuels and Engines (Co-Optima) initiative. Shell had observed that volatile fuels suppress low temperature heat release (LTHR) more than expected based on conventional gasoline autoignition metrics: research octane number (RON) and motor octane number (MON). The role of LTHR contributes to autoignition phenomena for both boosted spark ignition (BSI) and advanced compression ignition (ACI) combustion modes. ACI combustion modes are applicable to large engines in the hard-to-electrify applications such as off-road, rail, and marine. Thus, having a reliable understanding of autoignition phenomena, including being able to accurately account for the effects of fuel volatility, is particularly important as new synthetic and bio-fuel compositions are considered.This CRADA project aimed to test the hypothesis that the decreased LTHR is due to preferential evaporation of multicomponent fuels when using direct injection (DI) fueling technology, creating composition and reactivity stratification. A custom set of fuels was designed and blended to test this hypothesis by Shell, with experimental engine studies at ORNL and engine combustion modeling by ANL. However, the initial experimental findings did not show the expected effect of fuel volatility suppressing LTHR. Instead, the LTHR propensity observed was independent of the fuel volatility. Due to the unexpected experimental result, the remainder of the experimental effort was redirected to study the effect of fuel volatility on emissions under spark-ignited cold-start conditions. However, as with the LTHR experiments, the cold start effort did not show a meaningful effect of fuel volatility on cold start emissions. Meanwhile, improved engine CFD models have been developed for both LTHR and cold start operations for the Shell fuels with different volatilities. While the simulation efforts were not pursued further due to the insignificant effects of fuel volatility as shown in experiments, the models developed can be easily retooled for off-road, rail, and marine applications.
09 BIOMASS FUELS↗
Fuel/Basket Degradation Modeling Summary
This report documents the activities in a preliminary phase of development for three models: 1) waste package breach model, 2) fuel/basket degradation model, and 3) dual-purpose canister (DPC) crush model. The waste package breach model describes the coupling of mass flow, heat transport, and canister shell deformation in response to a heat-generating (criticality) event. The fuel/basket degradation model describes potential weakening and disaggregation of the DPC structure from corrosion, possibly accelerated by seismic ground motion. Progressively degraded three-dimensional (3D) configurations of the fuel, basket, and shell are generated for future analysis of reactivity (with as-loaded DPC fuel characteristics). Another important application for the fuel/basket degradation model is validation of the two stylized degradation cases currently being used by other investigators for analysis of the as-loaded DPC inventory under disposal conditions. The DPC crush model investigates stability of a typical DPC after breach of the disposal overpack allows fluids from the repository near-field environment to penetrate and externally pressurize the canister shell. Preliminary results show that large deformation of the DPC could occur for external pressure on the order of 10 to 15 MPa, or the shell could be stable (not collapse) with pressure of 20 MPa or greater if the basket plates are fully welded at the connections.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
XMM-Newton and Chandra Observations of the Galaxy Group NGC 5044: Evidence for Limited Multiphase Hot Gas - 1
Using new XMM and Chandra observations, we present an analysis of the temperature structure of the hot gas within a radius of 100 kpc of the bright nearby galaxy group NGC 5044. A spectral deprojection analysis of data extracted from circular annuli reveals that a two-temperature model (2T) of the hot gas is favored over single-phase or cooling flow (M = 4.5 +/- 0.2 solar mass/yr) models within the central approx.30 kpc. Alternatively, the data can be fitted equally well if the temperature within each spherical shell varies continuously from approx.T(sub h) to T(sub c) approx. T(sub h)/2, but no lower. The high spatial resolution of the Chandra data allows us to determine that the temperature excursion T(sub h) approaches T(sub c) required in each shell exceeds the temperature range between the boundaries of the same shell in the best-fitting single-phase model. This is strong evidence for a multiphase gas having a limited temperature range. We do not find any evidence that azimuthal temperature variations within each annulus on the sky can account for the range in temperatures within each shell. We provide a detailed investigation of the systematic errors on the derived spectral models considering the effects of calibration, plasma codes, bandwidth, variable NH, and background rate. We find that the RGS gratings and the EPIC and ACIS CCDs give fully consistent results when the same models are fitted over the same energy ranges for each instrument. The cooler component of the 2T model has a temperature (T(sub c) approx. 0.7 keV) similar to the kinetic temperature of the stars. The hot phase has a temperature (T(sub h) approx. 1.4 keV) characteristic of the virial temperature of the solar mass halo expected in the NGC 5044 group. However, in view of the morphological disturbances and X-ray holes visible in the Chandra image within R approx. equals 10 kpc, bubbles of gas heated to approx.T(sub h) in this region may be formed by intermittent AGN feedback. Some additional heating at larger radii may be associated with the evolution of the cold front near R approx. 50 kpc, as suggested by the sharp edge in the EPIC images. Subject headings: cooling flows - galaxies: formation - galaxies: halos - intergalactic medium - X-rays: galaxies: clusters
Buote, David A.↗