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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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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Characterization of electromigration-induced short-range stress development in Al(0.25 at. % Cu) conductor line

Scanning x-ray microbeam topography and fluorescence experiments were conducted in situ to study the electromigration behavior of a 0.5 μm thick, 10 μm wide, and 200 μm long Al(0.25 at. % Cu) conductor line with 1.5 μm-thick SiO2 passivation on a single crystal Si substrate. The strain sensitivity of x-ray topography measurement allowed detailed examination of the electromigration-induced stress distribution and evolution in the conductor line in response to the depletion of Cu solute early in the electromigration process. Upon electromigration at 0.4 MA/cm2 and 303 °C, a short-range stress gradient was quickly induced by Al migration in the Cu-depleted cathode region to counteract further Al flow. The stress gradient was fully developed during the 5.3 h incubation time, extending over the critical Blech length of about 66 μm from the cathode end. Plastic deformation then occurred at the downstream end of the Cu-depleted region. The preferential electromigration of Cu did not cause detectable stress change outside the Cu-depleted region, except for the significant stress development from the Al2Cu precipitation at the anode end which appeared to initiate the fracture in the passivation. Preliminary finite difference modeling was undertaken to simulate the experimental observations, from which important parameters dictating electromigration in Al(Cu) line were extracted: an apparent effective valence of −5.6 and −1.9 for Cu and Al in Al(Cu), respectively, and a critical Cu concentration of 0.16 at. % above which Al grain boundary diffusion is effectively blocked.

Physics↗
NASA NTRS1999

Analysis of Composite Panels Subjected to Thermo-Mechanical Loads

The results of a detailed study of the effect of cutout on the nonlinear response of curved unstiffened panels are presented. The panels are subjected to combined temperature gradient through-the-thickness combined with pressure loading and edge shortening or edge shear. The analysis is based on a first-order, shear deformation, Sanders-Budiansky-type shell theory with the effects of large displacements, moderate rotations, transverse shear deformation, and laminated anisotropic material behavior included. A mixed formulation is used with the fundamental unknowns consisting of the generalized displacements and the stress resultants of the panel. The nonlinear displacements, strain energy, principal strains, transverse shear stresses, transverse shear strain energy density, and their hierarchical sensitivity coefficients are evaluated. The hierarchical sensitivity coefficients measure the sensitivity of the nonlinear response to variations in the panel parameters, as well as in the material properties of the individual layers. Numerical results are presented for cylindrical panels and show the effects of variations in the loading and the size of the cutout on the global and local response quantities as well as their sensitivity to changes in the various panel, layer, and micromechanical parameters.

Noor, Ahmed K.↗
DOE OSTI2025

A Simple, Scalable Large Deformation Solid Mechanics Implementation in the MOOSE Framework

This article describes a large deformation solid mechanics solver implemented as part of the freely available and open source MOOSE finite element simulation framework. The article documents the choices made in developing the solid mechanics framework and describes novel formulations for the gradient operator and constitutive modeling framework made to simplify implementations of different coordinate systems, stabilized gradient operators, and different constitutive model inputs and outputs. In the process, the article describes a new formulation that casts objective integration of the Cauchy stress as a linear transformation of the small stress rate. Finally, the article presents key implementation details and examines the parallel efficiency of the solid mechanics solver implemented in MOOSE. The implementation retains a good weak scaling efficiency beyond 1,000 parallel processes. The article includes a discussion of the factors limiting the parallel efficiency of implicit, large deformation solid mechanics codes on current high-performance computers, with the main current limitation being the scalability of the algebraic multigrid methods used to solve the linearized equilibrium equations.

Applied computing → Computer-aided design↗
DOE OSTI2024

An Engineering Approach for Weld Creep Lifetime Assessment Based on Local Property Measurement

The localized creep failure in the heat-affected zone (HAZ) of Grade 91 steel weldments has been identified as one of the most important factors causing significantly shortened service lifetime and structural integrity issues of welded components in advanced fossil and nuclear power plants. To conduct a reliable creep lifetime assessment, a new engineering assessment approach has been developed by incorporating the experimentally determined local properties of the heterogeneous HAZ. By creep testing a purposely simulated HAZ specimen with in situ digital image correlation (DIC) technique, the highly gradient creep properties across the HAZ of Grade 91 steel was quantitatively measured. A physical creep cavitation constitutive model was proposed to investigate the local creep deformation and damage accumulation within the heterogeneous HAZ, which takes into account the nucleation of creep cavities and their growth by both grain boundary diffusion and creep deformation. The relationship among the local material property, creep strain accumulation, and evolution characteristic of creep cavities was established. The approach was then utilized to investigate the creep response and subsequent life for an ex-service 9% Cr steel weldment by incorporating the effects of pre-existing damages which developed and accumulated during long-term services. The predicted results exhibited quantitative agreement with the DIC measurement in terms of both nominal/local creep deformation as well as the subsequent life under the test conditions at 650 and 80 MPa.

Zhang, Wei↗
DOE OSTI2026

Low-Lying Excited States of Linear All- Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction

Polyenes serve as a rigorous test for theoretical models and electronic structure methods, playing a key role in advancing computational and theoretical chemistry. Here, we present a high-level theoretical investigation of linear, all-trans polyenes using energy gradients and nonadiabatic coupling vectors based on an MR-CISD wave function to describe electronic transitions involving the ground state (1 1 A g – ) and three low-lying excited states (2 1 A g – , 1 1 B u + , and 2 1 B u – ) of hexatriene, octatetraene, and decapentaene. This approach enables accurate evaluation of both adiabatic and vertical excitation and emission energies, yielding results in excellent agreement with experiment, as well as locating minima on the crossing seam between adiabatic states. Our results show that vertical excitation energies to the 1 1 B u + state are blue-shifted by 0.2–0.3 eV relative to the experimental absorption maximum, whereas the vertical emission energy from the 2 1 A g – state is red-shifted by ∼0.2 eV relative to the experimental emission maximum. Upon relaxation from the Franck–Condon geometry, the 2 1 A g – state stabilizes by around 1 eV, compared to 0.2–0.3 eV for the 1 1 B u + state. An analysis of the S 1 /S 0 crossing seam in hexatriene shows that its minimum involves asymmetric backbone deformations and provides an efficient channel for ultrafast internal conversion to the ground state, consistent with the absence of detectable fluorescence in this molecule. These results demonstrate the power of analytic gradients and nonadiabatic coupling vectors based on an MR-CISD wave function for accurately characterizing the electronic structure and photophysics of polyenes.

Excited states↗
NASA NTRS1992

Improved techniques for thermomechanical testing in support of deformation modeling

The feasibility of generating precise thermomechanical deformation data to support constitutive model development was investigated. Here, the requirement is for experimental data that is free from anomalies caused by less than ideal equipment and procedures. A series of exploratory tests conducted on Hastelloy X showed that generally accepted techniques for strain controlled tests were lacking in at least three areas. Specifically, problems were encountered with specimen stability, thermal strain compensation, and temperature/mechanical strain phasing. The source of these difficulties was identified and improved thermomechanical testing techniques to correct them were developed. These goals were achieved by developing improved procedures for measuring and controlling thermal gradients and by designing a specimen specifically for thermomechanical testing. In addition, innovative control strategies were developed to correctly proportion and phase the thermal and mechanical components of strain. Subsequently, the improved techniques were used to generate deformation data for Hastelloy X over the temperature range, 200 to 1000 C.

Castelli, Michael G.↗
DOE OSTI2021

Skyrme pseudopotentials at next-to-next-to-leading order: Construction of local densities and first symmetry-breaking calculations

There is an ongoing quest to improve on the spectroscopic quality of nuclear energy density functionals (EDFs) of the Skyrme type through extensions of its traditional form. One direction for such activities is the inclusion of terms of higher order in gradients in the EDF. We report on exploratory symmetry-breaking calculations performed for an extension of the Skyrme EDF that includes central terms with four gradients at next-to-next-to-leading order (N2LO) and for which the high-quality parametrization SN2LO1 has been constructed recently. Up to now, the investigation of such functionals with higher-order terms was limited to infinite matter and spherically symmetric configurations of singly and doubly magic nuclei. We address here nuclei and phenomena that require us to consider axial and nonaxial deformation, both for reflection-symmetric and also reflection-asymmetric shapes, as well as the breaking of time-reversal invariance. Achieving these calculations demanded a number of formal developments. These all resulted from the formulation of the N2LO EDF requiring the introduction of new local densities with additional gradients that are not present in the EDF at NLO. Their choice is not unique, but can differ in the way the gradients are coupled. While designing a numerical implementation of N2LO EDFs in Cartesian three-dimensional coordinate-space representation, we have developed a novel definition and a new unifying notation for normal and pair densities that contain gradients at arbitrary order. Besides having mnemonic advantages, the new notation allows for the easy identification of redundancies and reducibilities in a given set of local densities, and the new definition makes it straightforward to construct densities that automatically adopt the symmetries of the many-body state they are constructed from. The resulting scheme resolves several issues with some of the choices that have been made for local densities in the past, in particular when breaking time-reversal symmetry. Guided by general practical considerations, we propose an alternative form of the N2LO contribution to the Skyrme EDF that is built from a different set of densities. It has exactly the same physics content, but is much more efficient to handle in formal discussions and, compared to the original formulation, leads to a substantial reduction of computational cost and memory requirements in deformed codes. As representative examples for the performance of SN2LO1, we have chosen the ground states of even-even Kr and Nd isotopes, the fission barrier of 240 Pu as well as the superdeformed rotational band of 194 Hg. Overall, for the nuclei and phenomena studied here, the SN2LO1 parametrization does not yet present a systematic improvement over standard NLO parametrizations. This finding calls for improved fit protocols that better discriminate between NLO and N2LO terms and better exploit the unique features of the additional degrees of freedom offered by the latter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1971

The pressure and deformation profile between two colliding lubricated cylinders

The pressure and deformation profiles between two colliding lubricated cylinders are obtained by solving the coupled, time-dependent elastohydrodynamic equations with an iterative procedure. The analysis includes effects which were not considered in a previous solution, namely, the effect of the lubricant compressibility and the effect of a lubricant with composite pressure-viscosity coefficients. It is found that the local approach velocity plays an important role during final stages of normal approach. It causes the lubricant to be entrapped within the contact region; neither the pressure nor the deformation profile converges to the Hertzian profile for a dry contact. The use of a smaller pressure-viscosity coefficient at high pressures reduces the sharp pressure gradient at the center of the contact and produces a much milder variation of load with respect to the film thickness. The effect of compressibility of the lubricant is found to be relatively small.

Lee, K.↗
NASA NTRS1988

Electrohydrodynamic migration of charged droplets in an insulating fluid

The motion of charged, conducting droplets present in an insulating fluid medium is analyzed under the action of an electric field, in microgravity. Previous analyses of this problem have considered the Maxwell stresses as the only driving force. In the present study, arguments from macroscopic thermodynamics and the molecular theory of surface tension are used to show that the surface tension gradients can be induced due to the variation of the electric potential on the interface. In the limit of Reynolds numbers small compared to unity, the terminal velocity of migration of the droplet is calculated under the combined action of the Maxwell stresses and the surface tension gradients. The results show that there are no surface tension gradients (i.e., no electric potential variation at the interface) in a case that is due to the convection of the surface charges, surface tension gradients do exist and tend to reduce the terminal velocity of the droplet. The shape of the droplet altered by the motion was also calculated, when the deformations from the spherical shape are small.

Balasubramaniam, R.↗
NASA NTRS1988

Electrohydrodynamic migration of charged droplets in an insulating fluid

The motion of charged, conducting droplets present in an insulating fluid medium is analyzed under the action of an electric field, in microgravity. Previous analyses of this problem have considered the Maxwell stresses as the only driving force. In the present study, arguments from macroscopic thermodynamics and the molecular theory of surface tension are used to show that the surface tension gradients can be induced due to the variation of the electric potential on the interface. In the limit of Reynolds numbers small compared to unity, the terminal velocity of migration of the droplet is calculated under the combined action of the Maxwell stresses and the surface tension gradients. The results show that there are no surface tension gradients (i.e., no electric potential variation at the interface) in a case that is due to the convection of the surface charges, surface tension gradients do exist and tend to reduce the terminal velocity of the droplet. The shape of the droplet altered by the motion was also calculated, when the deformations from the speherical shape are small.

Balasubramaniam, R.↗
NASA NTRS1993

The production of premixed flame surface area in turbulent shear flow

In the present work, we use three-dimensional Direct Numerical Simulation (DNS) of premixed flames in turbulent shear flow to characterize the effect of a mean shear motion on flame surface production. The shear is uniform in the unburnt gas, and simulations are performed for different values of the mean shear rate, S. The data base is then used to estimate and compare the different terms appearing in the Sigma-equation as a function of S. The analysis gives in particular the relative weights f the turbulent flow and mean flow components, a(sub T) and A(sub T), of the flame surface production term. This comparison indicates whether the dominant effects of a mean flow velocity gradient on flame surface area are implicit and scale with the modified turbulent flow parameters, kappa and epsilon, or explicit and scale directly with the rate of deformation.

Trouve, A.↗
NASA NTRS1994

Modeling fluvial erosion on regional to continental scales

The fluvial system is a major concern in modeling landform evolution in response to tectonic deformation. Three stream bed types (bedrock, coarse-bed alluvial, and fine-bed alluvial) differ in factors controlling their occurrence and evolution and in appropriate modeling approaches. Spatial and temporal transitions among bed types occur in response to changes in sediment characteristics and tectonic deformation. Erosion in bedrock channels depends upon the ability to scour or pluck bed material; this detachment capacity is often a power function of drainage area and gradient. Exposure of bedrock in channel beds, due to rapid downcutting or resistant rock, slows the response of headwater catchments to downstream baselevel changes. Sediment routing through alluvial channels must account for supply from slope erosion, transport rates, abrasion, and sorting. In regional landform modeling, implicit rate laws must be developed for sediment production from erosion of sub-grid-scale slopes and small channels.

Howard, Alan D.↗
NASA NTRS2002

The 1999 (Mw 7.1) Hector Mine, California, Earthquake: Near-Field Postseismic Deformation from ERS Interferometry

Interferometric synthetic aperture radar (InSAR) data over the area of the Hector Mine earthquake (Mw 7.1, 16 October 1999) reveal postseismic deformation of several centimeters over a spatial scale of 0.5 to 50 km. We analyzed seven SAR acquisitions to form interferograms over four time periods after the event. The main deformations seen in the line-of-sight (LOS) displacement maps are a region of subsidence (60 mm LOS increase) on the northern end of the fault, a region of uplift (45 mm LOS decrease) located to the northeast of the primary fault bend, and a linear trough running along the main rupture having a depth of up to 15 mm and a width of about 2 km. We correlate these features with a double left-bending, rightlateral, strike-slip fault that exhibits contraction on the restraining side and extension along the releasing side of the fault bends. The temporal variations in the near-fault postseismic deformation are consistent with a characteristic time scale of 135 + 42 or - 25 days, which is similar to the relaxation times following the 1992 Landers earthquake. High gradients in the LOS displacements occur on the fault trace, consistent with afterslip on the earthquake rupture. We derive an afterslip model by inverting the LOS data from both the ascending and descending orbits. Our model indicates that much of the afterslip occurs at depths of less than 3 to 4 km.

Jacobs, Allison↗
NASA NTRS1993

Models of thermal/chemical boundary layer convection: Potential application to Venus

The upper boundary layer of Venus is comprised of at least two distinct chemical components, mantle and crust. Fluid dynamical models of convection within Venus' mantle were primarily of the thermal boundary layer type. Models assessing the ability of convective mantle flows to deform the crust were undertaken, but models exploring the effects of a variable thickness crust on mantle convection were largely lacking. A Venusian crust of variable thickness could couple back into, and alter, the mantle flow patterns that helped create it, leading to deformation mechanisms not predicted by purely thermal boundary layer convection models. This possibility is explored through a finite element model of thermal/chemical boundary layer convection. Model results suggest that a crust of variable thickness can serve as a mantle flow driver by perturbing lateral temperature gradients in the upper mantle. Resulting mantle flow is driven by the combination of free convective and nonuniform crustal distribution. This combination can lead to a flow instability manifest in the occurrence of episodic mantle lithosphere subduction initiated at the periphery of a crustal plateau. The ability of a light, near surface, chemical layer to potentially alter mantle flow patterns suggest that mantle convection and the creation and/or deformation of such a chemical layer may be highly nonseparable problems on time scales of 10(exp 8) years.

Lenardic, A.↗
NASA NTRS1981

Existence of a natural instability not predicted by theory and connected to a wall deformation in a laminar boundary layer

Natural instability related to negative wall deformation was studied. It was shown that natural instabilities which propagate in a laminar boundary layer of a flat plate are in agreement with stability theory. It is found that if a wall has a deformation, a second frequency does exist, which is not predicted and is twice the first frequency. This second instable frequency only appears if there is a negative velocity gradient. The phenomenon is located very closely to the wall and drops off rapidly when moved away from it.

Gougat, P.↗
NASA NTRS1983

Stress studies in EFG

Stress distributions were calculated for a creep law to predict a rate of plastic deformation. The expected reduction in stresses is obtained. Improved schemes for calculating growth system temperature distributions were evaluated. Temperature field modeling examined the possibility of using horizontal temperature gradients to influence stress distribution in ribbon. The defect structure of 10 cm wide ribbon grown in the cartridge system was examined. A new feature is identified from an examination of cross sectional micrographs. It consists of high density dislocation bands extending through the ribbon thickness. A four point bending apparatus was constructed for high temperature study of the creep response of silicon, to be used to generate defects for comparison with as grown defects in ribbon. The feasibility of laser interferometric techniques for sheet residual stress distribution measurement is examined. The mathematical formalism for calculating residual stress from changes in surface topology caused by an applied stress in a rectangular specimen was developed, and the system for laser interferometric measurement to obtain surface topology data was tested on CZ silicon.

Source record↗
NASA NTRS1984

Augmented weak forms and element-by-element preconditioners: Efficient iterative strategies for structural finite elements. A preliminary study

A weak formulation in structural analysis that provides well conditioned matrices suitable for iterative solutions is presented. A mixed formulation ensures the proper representation of the problem and the constitutive relations are added in a penalized form. The problem is solved by a double conjugate gradient algorithm combined with an element by element approximate factorization procedure. The double conjugate gradient strategy resembles Uzawa's variable-length type algorithms the main difference is the presence of quadratic terms in the mixed variables. In the case of shear deformable beams these terms ensure that the proper finite thickness solution is obtained.

Muller, A.↗
DOE OSTI2024

Modeling-Based Design and Optimization of a Gradient Composite Transition Joint

An innovative additively manufactured gradient composite transition joint (AM-GCTJ) has been designed to join dissimilar metals, to address the pressing issue of premature failure observed in conventional dissimilar metal welds (DMWs) when subjected to increased cyclic operating conditions of fossil fuel power plants. The transition design, guided by computational modeling, developed a gradient composite material distribution, facilitating a smooth transition in material volume fraction and physical properties between different alloys. This innovative design seeks to alleviate structural challenges arising from distinct material properties, including high thermal stress and potential cracking issues resulting from the thermal expansion mismatch typically observed in conventional DMWs. In this study, we investigated the creep properties of transition joints comprising Grade 91 steel and 304 stainless steel through a combination of simulations and creep testing experiments. The implementation of a gradient composite design in the plate transition joint resulted in a significant enhancement of creep resistance when compared to the baseline conventional DMW. For instance, the creep rupture life of the transition joint was improved by > 400% in a wide range of temperature and stress testing conditions. Meanwhile, the failure location shifted to the base material of Grade 91 steel. Such enhancement can be primarily attributed to the strong mechanical constraint facilitated by the gradient composite design, which effectively reduced the stresses on the less creep-resistant alloy in the transition zone. Beyond examining plate joints, it is crucial to assess the deformation response of tubular transition joints under pressure loading and transient temperature conditions to substantiate and demonstrate the effectiveness of the design. The simulation results affirm that the tubular transition joint demonstrates superior resistance compared to its counterpart DMW when subjected to multiaxial stresses in tubular structures. In addition, optimization of the transition joint’s geometry dimensions has been conducted to diminish the accumulated deformation and enhance the service life. Lastly, the scalability and potential of the innovative transition joints for large-diameter pipe applications are addressed.

Zhang, Wei↗