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At least 199 records · Page 11

Multicenter molecular integrals for Slater orbitals of higher principal quantum numbers

As was shown earlier by Tai (1979), by using the Fourier-transform technique and properly coupling a pair of two-center exchange integrals, the multicenter molecular integrals can be cast into a simple expression upon which numerical procedures can be directly applied. In this paper, the procedure of Tai is extended to integrals involving orbitals with arbitrarily higher principal quantum number. The derivation is outlined, and the explicit expressions are presented for a three-center nuclear attraction integral and a four-center two-electron Coulomb repulsion integral of arbitrary higher states.

Tai, H.↗

Eutectic-Free Superalloy Made By Directional Solidification

By suitable control of thermal conditions in directional-solidification process, supperalloy structural and machine components (e.g., turbine blades) cast with microstructures enhancing resistance to fatigue. Specific version of process and thermal conditions chosen to reduce micro-segregation during solidification and to minimize or eliminate script carbide and eutectic-phase inclusions, which are brittle inclusions found to decrease resistance to fatigue.

Schmidt, Deborah Dianne↗

Hybrid cam bore sand core with metal chills for cast aluminum block

A system for making a hybrid cam bore sand core with metal chills for an engine block includes an engine block cast of an aluminum material. A camshaft bore extends through the engine block. A cam bore sand core with at least one metal chill is positioned within the camshaft bore. A body portion of the at least one metal chill is positioned in direct contact with a cam bearing surface of at least one cam bearing member during casting of the engine block to increase a cooling rate of the at least one cam bearing member and create a crystalline material depth of the cam bearing member having enhanced mechanical properties.

Petrus, Ronald J.↗

Fluid mechanics of directional solidification at reduced gravity

The primary objective of the proposed research is to provide additional groundbased support for the flight experiment 'Casting and Solidification Technology' (CAST). This experiment is to be performed in the International Microgravity Laboratory-1 (IML-1) scheduled to be flown on a space shuttle mission scheduled for 1992. In particular, we will provide data on the convective motion and freckle formation during directional solidification of NH4Cl from its aqueous solution at simulated parameter ranges equivalent to reducing the gravity from the sea-level value down to 0.1 g or lower. The secondary objectives of the proposed research are to examine the stability phenomena associated with the onset of freckles and the mechanisms for their subsequent growth and decline (to eventual demise of some) by state-of-the-art imaging techniques and to formulate mathematical models for the prediction of the observed phenomena.

Chen, C. F.↗

Recent Advances in Scalable, High‐Mass Loaded Electrodes for Grid‐Scale Energy Storage

Abstract The increasing electrification of daily life as well as the intermittent characteristic of renewable energy sources require viable solutions for grid‐scale energy storage. Critical considerations for grid storage applications are electrode mass loading and electrode thickness as these features govern battery pack energy density, an important factor in determining manufacturing costs. For this reason, there is increased interest in finding new ways of creating electrodes with high mass loading. In this review, various high‐mass loading fabrication approaches are considered for positive electrode materials used in batteries. The benchmark used for high mass loading is above 20 mg cm −2 , which is higher than the practical limit of conventional tape‐cast electrodes. Several different electrode approaches are described including templating, laser patterning, direct ink writing, and electrodeposition. A variety of materials are covered with the most prominent being LiFe(PO 4 ) (LFP), LiCoO 2 (LCO), and MnO 2 . In research to date, scalable electrochemical performance has been achieved with mass loadings over 100 mg cm −2 . Areal capacities as high as 14.7 mAh cm −2 at 1.82 mA cm −2 have been achieved in non‐aqueous electrolytes and 9.8 mAh cm −2 at 10 mA cm −2 in aqueous electrolytes. These results establish that the mass loading of electrodes can be scaled up without compromising their electrochemical properties.

White, Makena [Department of Materials Science and↗

Symmetry-breaking in double gyroid block copolymer films by non-affine distortion

Soft-matter bicontinuous networks find a double gyroid structure from block copolymer (BCP) self-assembly. A gyroid structure composed of dissimilar blocks has proven its potential as a soft crystal capable of tuning structural periodicity and symmetry, of which the lattice dimension is variable with molecular weight of the polymer. Using an asymmetric polystyrene- b -poly(methyl methacrylate) (PS- b -PMMA), in this study we show that the self-assembled gyroid films formed via a solvent vapor annealing (SVA) process undergo unique structural distortion due to directional deformation immediately upon deswelling. During the SVA process with PS- b -PMMA films, transient cylinders developed from the as-cast morphology transform into a cubic gyroid structure in a swollen state. Rapid and spontaneous deswelling processes -the manners in which the films contract along the z-direction while retaining an enlarged lateral dimension of the cubic form -lead to triclinic gyroid structures with z-directional contraction ratios ( C z ) of 2.5 and 2.0, respectively. Our X-ray analysis reveals that the deswelling process of the swollen gyroid films produces a notable symmetry-breaking in non-affine gyroid structure that elicits several forbidden reflections such as {110} and {200} reflections. For further characterization of the symmetry-breaking, we delineate the structural features of noncubic gyroid films by computing electron-density difference maps assisted with X-ray measurements. Level-set approach is accordingly developed to quantitate the structural characteristics of the maps in terms of inversion symmetry-breaking, suggesting its possible application to optical Weyl photonic crystals.

36 MATERIALS SCIENCE↗

Model-Based Reconstruction for Collimated Beam Ultrasound Systems

Collimated beam ultrasound systems are a novel technology for imaging inside multi-layered structures such as geothermal wells. Such systems include a transmitter and multiple receivers to capture reflected signals. Common algorithms for ultrasound reconstruction use delay-and-sum (DAS) approaches; these have low computational complexity but produce inaccurate images in the presence of complex structures and specialized geometries such as collimated beams.In this paper, we propose a multi-layer, ultrasonic, model-based iterative reconstruction algorithm designed for collimated beam systems. We introduce a physics-based forward model to accurately ac-count for the propagation of a collimated ultrasonic beam in multi-layer media and describe an efficient implementation using binary search. We model direct arrival signals, detector noise, and a spatially varying image prior, then cast the reconstruction as a maximum a posteriori estimation problem. Using simulated and experimental data we obtain significantly fewer artifacts relative to DAS while running in near real time using commodity compute resources.

Alanazi, Abdulrahman M.↗

Directionally solidified eutectic gamma-gamma nickel-base superalloys

A directionally solidified multivariant eutectic gamma-gamma prime nickel-base superalloy casting having improved high temperature properties was developed. The alloy is comprised of a two phase eutectic structure consisting essentially of on a weight percent base, 6.0 to 9.0 aluminum, 5.0 to 17.0 tantalum, 0-10 cobalt, 0-6 vanadium, 0-6 rhenium, 2.0-6.0 tungsten, and the balance being nickel, subject to the proviso that the sum of the atomic percentages of aluminum plus tantalum is within the range of from 19-22, and the ratio of atomic percentages of tantalum to aluminum plus tantalum is within the range of from 0.12 to 0.23. Embedded within the gamma nickel-base matrix are aligned eutectic gamma prime phase (primarily nickel-aluminum-tantalum) reinforcing fibers.

Jackson, M. R.↗

Silicon ribbon growth by a capillary action shaping technique

Substantial improvements in ribbon surface quality are achieved with a higher melt meniscus than that attainable with the film-fed (EFG) growth technique. A capillary action shaping method is described in which meniscus shaping for the desired ribbon geometry occurs at the vertex of a wettable die. As ribbon growth depletes the melt meniscus, capillary action supplies replacement material. Topics discussed cover experimental apparatus and growth procedures; die materials investigations, fabrication and evaluation; process development for 25 mm, 38 mm, 50 mm and 100 mm silicon ribbons; and long grain direct solidification of silicon. Methods for the structural and electrical characterization of cast silicon ribbons are assessed as well as silicon ribbon technology for the 1978 to 1986 period.

Schwuttke, G. H.↗

Creep shear behavior of the oxide dispersion strengthened superalloy MA 6000E

The shear rupture life of the oxide dispersion strengthened (ODS) superalloy MA 6000E was determined at 650 and 760 C was 250 MPa. Comparisons were made at 760 C with the conventional cast superalloy B-1900+Hf, the ODS alloy MA 754, and the directionally solidified eutectic alloy gamma/gamma prime-delta was 170 MPa, and for B-1900+Hf was 360 MPa. The ODS alloy MA 6000E and gamma/gamma prime-delta failed with very little indication of ductile accommodation. Both MA 754 and B-1900+Hf showed some ductile tearing. Fracture surfaces of the ODS alloy MA 754 showed discontinuities similar size, shape, and roughness to its grain structure, but the fracture surfaces of MA 6000E were much smoother than its grain boundaries.

Glasgow, T. K.↗

BOLT II Forebody Surface Measurement Analysis

Surface impression molds of the nosetip/forebody interface, discrete tripping elements, and other surface imperfections were formed on the BOLT II flight vehicle prior to its launch in March 2022. The silicon-rubber molds cast on the interface between the nickel nosetip and the stainless steel forebody were measured using a 3D optical measurement system and a stylus profilometer and were evaluated for step direction and height. The step around the nosetip/forebody interface was found to vary in both magnitude and direction, but values were generally modest with most samples below 60 μm across the span and only two samples, both cast in the gutter, with step values larger than 100 μm. Impressions of the secondary-side tripping elements were strictly scanned with the optical device and similar methods were used to calculate trip height as step height. The measured centerline trip height was 2623 ±12 μm, while the leading-edge, quadrant 2 and 3, trip heights were 897 ±5 μm and 891 ±18 μm, respectively. Surface imperfections on the nose and forebody were also evaluated. Surface roughness values and spectra were estimated, and profiles were extracted across the imperfections to quantify the magnitude of those features.

Trip height↗

An alternating-direction implicit algorithm for unsteady potential flow

An implicit finite-difference scheme is presented for the efficient computation of unsteady potential flow about airfoils. The formulation uses density and the velocity potential as dependent variables and is cast in conservation form to assure the theoretically correct determination of shockwave location and speed. To enable boundary conditions to be imposed directly on the airfoil surface, a time-varying sheared-rectilinear coordinate transformation is employed. Calculated time-history solutions on a pulsating airfoil are compared with the results of other unsteady transonic codes, including a previous method of the authors. The present method is demonstrated to be unconditionally stable and to give accurate solutions with sharply resolved shocks.

Chipman, R.↗

An alternating-direction-implicit algorithm for the unsteady potential equation in conservation form

An implicit finite difference scheme for an efficient computation of unsteady potential flow about airfoils is presented. The formulation uses density and velocity potential as dependent variables, and is cast in conservation form to assure the theoretically correct determination of shockwave location and speed. To enable boundary conditions to be imposed directly on the airfoil surface, a time varying sheared rectilinear coordinate transformation is employed. Calculated time history solutions on a pulsating airfoil are compared with the results of another unsteady transonic code. It is concluded that the method has excellent numerical stability and gives accurate solutions with sharply resolved shocks.

Chipman, R. R.↗

Identification of Vehicle Health Assurance Related Trends

Trend analysis in aviation as related to vehicle health management (VHM) was performed by reviewing the most current statistical and prognostics data available from the National Transportation Safety Board (NTSB) accident, the Federal Aviation Administration (FAA) incident, and the NASA Aviation Safety Reporting System (ASRS) incident datasets. In addition, future directions in aviation technology related to VHM research areas were assessed through the Commercial Aviation Safety Team (CAST) Safety Enhancements Reserved for Future Implementations (SERFIs), the National Transportation Safety Board (NTSB) Most-Wanted List and recent open safety recommendations, the National Research Council (NRC) Decadal Survey of Civil Aeronautics, and the Future Aviation Safety Team (FAST) areas of change. Future research direction in the VHM research areas is evidently strong as seen from recent research solicitations from the Naval Air Systems Command (NAVAIR), and VHM-related technologies actively being developed by aviation industry leaders, including GE, Boeing, Airbus, and UTC Aerospace Systems. Given the highly complex VHM systems, modifications can be made in the future so that the Vehicle Systems Safety Technology Project (VSST) technical challenges address inadequate maintenance crew's trainings and skills, and the certification methods of such systems as recommended by the NTSB, NRC, and FAST areas of change.

Phojanamongkolkij, Nipa↗

Predicting rare events using neural networks and short-trajectory data

Estimating the likelihood, timing, and nature of events is a major goal of modeling stochastic dynamical systems. When the event is rare in comparison with the timescales of simulation and/or measurement needed to resolve the elemental dynamics, accurate prediction from direct observations becomes challenging. In such cases a more effective approach is to cast statistics of interest as solutions to Feynman-Kac equations (partial differential equations). Here, we develop an approach to solve Feynman-Kac equations by training neural networks on short-trajectory data. Our approach is based on a Markov approximation but otherwise avoids assumptions about the underlying model and dynamics. This makes it applicable to treating complex computational models and observational data. Additionally, we illustrate the advantages of our method using a low-dimensional model that facilitates visualization, and this analysis motivates an adaptive sampling strategy that allows on-the-fly identification of and addition of data to regions important for predicting the statistics of interest. Finally, we demonstrate that we can compute accurate statistics for a 75-dimensional model of sudden stratospheric warming. This system provides a stringent test bed for our method.

97 MATHEMATICS AND COMPUTING↗

Carbide Particle Redistribution in U-10Mo Alloy during Hot and Cold Rolling Processes: Synthetic Microstructure-Based Finite-Element Approach

The influence of initial carbide particle distribution features on particle fracture and the evolution of stringer distribution within an alloy of uranium with 10 weight percent molybdenum during cold rolling was investigated in this study. This work will provide guidance to casting optimization work and identify actionable process changes to eliminate the surface features directly attributed to carbides. In a previous study, various synthetic microstructure-based finite-element (FE) models were generated with consideration of different parameters (i.e., particle shape, particle volume fraction, and particle distribution), and used to examine the effects of hot rolling on the microstructure evolution. In this study, microstructures after ~80% hot rolling were used as the initial microstructures for the subsequent cold rolling simulation. Plane-strain compression loading was employed in the FE models to simulate cold rolling with reductions from ~80% to ~94%. Stringer analyses with the consideration of particle fracture were then performed with the simulated cold rolling results. The results of void evolution analyses show that microstructures with elliptical particles incorporate a much larger (almost double) void volume fraction than those with circular particles, indicating that the elliptical particles are fractured more easily than the circular ones. The results from the fracture mode analyses show that, under the adopted simple compression loading assumption, almost all the particles (i.e., >99%) were fractured by tensile separation. The results of stringer analyses show that, during cold rolling, the stringer volume fractions increase substantially due to the particle fracture, especially for the microstructures with the elliptical particles, and that the stringer volume fractions from stringers comprising many particles tend to increase faster. The maximum stringer lengths for the microstructures with circular particles tend to remain constant or decrease during cold rolling, whereas those for elliptical particles tend to slightly increase after a slight decrease. The number of particles at the surface increases very rapidly due to particle fracture during cold rolling.

36 MATERIALS SCIENCE↗

The Isothermal Dendritic Growth Experiment

The growth of dendrites is one of the commonly observed forms of solidification encountered when metals and alloys freeze under low thermal gradients, as occurs in most casting and welding processes. In engineering alloys, the details of the dendritic morphology directly relates to important material responses and properties. Of more generic interest, dendritic growth is also an archetypical problem in morphogenesis, where a complex pattern evolves from simple starting conditions. Thus, the physical understanding and mathematical description of how dendritic patterns emerge during the growth process are of interest to both scientists and engineers. The Isothermal Dendritic Growth Experiment (IDGE) is a basic science experiment designed to measure, for a fundamental test of theory, the kinetics and morphology of dendritic growth without complications induced by gravity-driven convection. The IDGE, a collaboration between Rensselaer Polytechnic Institute, in Troy NY, and NASA's Lewis Research Center (LeRC) was developed over a ten year period from a ground-based research program into a space flight experiment. Important to the success of this flight experiment was provision of in situ near-real-time teleoperations during the spaceflight experiment.

Glicksman, M. E.↗

Unraveling compacted graphite evolution during solidification of cast iron using in-situ synchrotron X-ray tomography

In spite of many years of research, the physical phenomena leading to the evolution of compacted graphite (CG) during solidification is still not fully understood. In particular, it is unknown how highly branched CG aggregates form and evolve in the semi-solid, and how local microstructural variations at micrometer length scale affect this growth process. We present here the first time-resolved synchrotron tomography combined with a bespoke high-temperature environmental cell that allows direct observation of the evolution of CG and relates this dynamic process to the local surrounding microstructures in a cast iron sample during repeated melting and solidification. Distinct processes are identified for the formation of CG involving the nucleation, growth, development of branches and interconnection of graphite particles, ultimately evolving into highly branched graphite aggregates with large sizes and low sphericities. CG is found to nucleate with a spheroidal or a plate-like shape, developing branches induced by high carbon concentration, e.g. thin melt channels. Additionally, CG grows much faster than spheroidal graphite during subsequent cooling in solid state. The direct visualization of the dynamic solidification process provides unprecedented new insights into formation mechanisms of CG and correlating factors such as local microstructural variations, and guides the development of CG iron solidification models.

36 MATERIALS SCIENCE↗