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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Composite matrix construction for structured grid adaptive mesh refinement

Structured-grid adaptive mesh refinement (SAMR) is an approach to mesh generation that supports structured access to data and adaptive mesh refinement for discretized partial differential equations (PDEs). Solution algorithms often require that an inverse of an operator be applied, a system of algebraic equations must be solved, and this process is often the primary computational cost in an application. SAMR is well suited to geometric multigrid solvers, which can be effective, but often do not adapt well to complex geometry including material coefficients. Algebraic multigrid (AMG) is more robust in the face of complex geometry, in both boundary conditions and internal material interfaces. AMG requires a stored matrix linearization of the operator. We discuss an approach, and an implementation in the Chombo block-structured AMR framework, for constructing composite grid matrices from a SAMR hierarchy of grids for use in linear solvers in the PETSc numerical library. We consider a case study with the Chombo-based BISICLES ice sheet modeling application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Interpolation methods and the accuracy of lattice-Boltzmann mesh refinement

A lattice-Boltzmann model to solve the equivalent of the Navier-Stokes equations on adap- tively refined grids is presented. A method for transferring information across interfaces between different grid resolutions was developed following established techniques for finite- volume representations. This new approach relies on a space-time interpolation and solving constrained least-squares problems to ensure conservation. The effectiveness of this method at maintaining the second order accuracy of lattice-Boltzmann is demonstrated through a series of benchmark simulations and detailed mesh refinement studies. These results exhibit smaller solution errors and improved convergence when compared with similar approaches relying only on spatial interpolation. Examples highlighting the mesh adaptivity of this method are also provided.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Micromechanisms of grain refinement during extrusion of Mg–0.3 at.% Al at low homologous temperature

Coarse grained Mg–0.3 at.% Al (0.33 in wt.%) alloy was processed by direct extrusion with a reduction ratio of 25:1 at a temperature of ∼ 433 K. The extrusion remainder was removed from the die and analysed in three distinct zones: the cast billet, the conical zone of extrusion die, and the as-extruded rod. The zones were characterized by electron backscatter diffraction (EBSD) and light microscopy techniques to identify the processes responsible for grain refinement. Complex networks of (10–12) twins in practically all grains produced a noticeable microstructural fragmentation even before the material reached the conical zone of the die. Deformation twinning extended up to the entrance zone of the conical die where it was followed by a continuous dynamic recrystallization (CDRX) that gradually changed low angle boundaries to high angle boundaries. It is apparent that geometrically necessary dislocations play a crucial role in the formation of new grain boundaries. CDRX results in a bimodal structure with grain diameters ∼ 3 and ∼ 30 μm. As a material flows through the conical zone, the ratio of large to small grains is progressively decreased by CDRX in favour of fine grains. The as-extruded microstructure (a rod 8 mm in diameter), with an average grain diameter of ∼ 2.1 μm, shows a strong texture where the vast majority of grains (99.99%) have the c-axis oriented at least 30° from the extrusion direction. - Highlights: • Coarse grained Mg–0.3 at.% Al alloy was extruded at temperature of ∼ 433 K. • Processes responsible for grain refinement were analysed in extrusion remainder. • In the first stage, complex (10–12) twinning produced a noticeable fragmentation. • Deformation twinning was followed by continuous dynamic recrystallization. • 99.99% of grains in extruded rod have c-axis oriented > 30° from extrusion direction.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Laser shock peening effect on the dislocation transitions and grain refinement of Al–Mg–Si alloy

This paper systematically investigates the effect of laser shock peening without coating parameters on the microstructural evolution, and dislocation configurations induced by ultra-high plastic strains and strain rates. Based on an analysis of optical microscopy, polarized light microscopy, transmission electron microscopy observations and residual stress analysis, the significant influence of laser shock peening parameters due to the effect of plasma generation and shock wave propagation has been confirmed. Although the optical microscopy results revealed no significant microstructural changes after laser shock peening, i.e. no heat effect zone and differences in the distribution of second-phase particles, expressive influence of laser treatment parameters on the laser shock induced craters was confirmed. Moreover, polarized light microscopy results have confirmed the existence of well-defined longish grains up to 455 μm in length in the centre of the plate due to the rolling effect, and randomly oriented smaller grains (20 μm × 50 μm) in the surface due to the static recrystallization effect. Laser shock peening is reflected in an exceptional increase in dislocation density with various configurations, i.e. dislocation lines, dislocation cells, dislocation tangles, and the formation of dense dislocation walls. More importantly, the microstructure is considerably refined due to the effect of strain deformations induced by laser shock peening process. The results have confirmed that dense dislocation structures during ultra-high plastic deformation with the addition of shear bands producing ultra-fine (60–200 nm) and nano-grains (20–50 nm). Furthermore, dislocation density was increased by a factor of 2.5 compared to the untreated material (29 × 10{sup 13} m{sup −2} vs. 12 × 10{sup 13} m{sup −2}). - Highlights: • LSPwC imparts high compressive residual stresses up to − 362 ± 31 MPa. • After LSPwC the microstructure is considerably refined via dislocation transitions. • Results confirmed ultra-fine (60–200 nm) and nano-grains (20–50 nm) after LSPwC. • Reasonable agreements between dislocation density and residual stress are obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Surface grain refinement of casting A380 aluminum alloy by ultrasonic-assisted surface mechanical grinding treatment

A novel surface processing technique, ultrasonic-assisted surface mechnical grinding treatment (U-SMGT), was proposed and applied to modify the surface micriostructure of the casting aluminum alloy (A380). Comprehensive post-process chracterization techniques including 3D profilometry, optical microscope, scanning electric microscopy (SEM), and electron backscatter diffraction (EBSD) were carried out to investigate the surface morphology and microstructure of the processed region (PR). It was found that a surface layer of grain refinement with a thickness of about 50 µm was formed. In the as-received base material (BM), large clusters of dendritic eutectic phase with a size of approximately 20 µm were isolated by α-Al matrix. Nano-indentation tests showed that hardness of the eutectic and α-Al in the as-received BM was 2.15 GPa and 1.2 GPa respectively. After U-SMGT, the large dendritic eutectic phase was broken down into much fine particles with an average size of 0.57 µm. These fine particles were uniformly distributed into the α-Al matrix. Nano-indentation measurement exhibited a hardness of 2.27 GPa within the processed region. The overall high hardness in the processed region is a result of the pinning effect of uniformly distributed fine dendrites and grain refinement of Al-matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microstructural refinement of an Al-Ce-Mg alloy via Shear Assisted Processing and Extrusion

Al-Ce alloys have attracted recent interest because of their high thermal stability due to the low solubility of Ce in the Al matrix. The Al 11 Ce 3 eutectic phase gives excellent strain hardening behavior and moderate high-temperature strength in the as-cast state. However, its strengthening effect is limited by its coarse as-cast structure. Therefore, alternative manufacturing methods such as additive manufacturing or equal channel angular pressing have been applied to refine the Al 11 Ce 3 phase to good effect. However, these techniques are both expensive and time-consuming. Therefore, this study aims to use Shear Assisted Processing and Extrusion (ShAPE), an emerging solid phase processing technique that is more easily scalable than the previously mentioned methods. ShAPE can produce useful cross-sections of an Al-8Ce-4Mg alloy while refining the Al 11 Ce 3 phase to produce a higher strength material. It was found that a low temperature ShAPE process can improve the room temperature yield strength by ~60 % compared to a binary Al-4Mg alloy. Additionally, the high-temperature yield strength of the Al-Ce alloys increased by 20%, with a simultaneous 15% improvement in ductility compared to the binary Al-Mg alloy. Finally, these results highlight the potential for ShAPE as a processing technique for Al-Ce alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Deacetylation and Mechanical Refining (DMR) and Deacetylation and Dilute Acid (DDA) Pretreatment of Corn Stover, Switchgrass, and a 50/50 Corn Stover/Switchgrass Blend

The most economical feedstock available to future lignocellulosic biorefineries may be a feedstock blend. Corn stover, switchgrass, and a 50:50 blend of corn stover and switchgrass were subjected to three different dilute alkali deacetylation conditions in a 90 L reactor prior to either mechanical refining (DMR) in a disc refiner followed by a Szego mill or dilute acid pretreatment (DDA) at five different conditions in a 4 L batch steam explosion reactor. The forty-five DDA and nine DMR slurries were subjected to high solids enzymatic hydrolysis at an enzyme loading of 15 mg protein per gram cellulose using Novozymes Cellic CTec3 (DDA) or a 4:1 mix of Novozymes Cellic CTec3:HTec 3 (DMR). The highest glucose yield was achieved using DMR processed corn stover from the high severity deacetylation condition (92 °C and 100 kg NaOH/ODMT) at 95.9% ± 0.8%, while the greatest monomeric glucose yields for switchgrass were between 75% to 80%. The glucose yields from saccharification of the 50:50 corn stover/switchgrass blend was approximately the average of the two individual feedstocks for both DDA and DMR processes. Statistical analysis showed that for a given feedstock type dilute alkali deacetylation severity had a significant impact (p < 0.05) on enzymatic hydrolysis yields, and for a given deacetylation severity the feedstock type had a significant effect on glucose conversion with the addition of switchgrass resulting in lower glucose yields. A blending strategy to maximize enzymatic hydrolysis sugar yields while reducing carbohydrate solubilization during the alkaline treatment step was proposed that allows deacetylation of feedstocks with different recalcitrance at optimal conditions for that feedstock, then blending prior to enzymatic hydrolysis.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2011

Equal Channel Angular Pressing (ECAP) and Its Application to Grain Refinement of Al-Zn-Mg-Cu Alloy

Microstructure of a metal can be considerably changed by severe plastic deformation techniques such as high pressure torsion, extrusion and equal-channel angular pressing (ECAP). Among these methods, ECAP is particularly attractive because it has a potential for introducing significant grain refinement and homogeneous microstructure into bulk materials. Typically, it reduces the grain size to the submicrometer level or even nanometer range and thus produces materials that are capable of exhibiting unusual mechanical properties. In the present study, a test unites for equal channel angular pressing was constructed and this system was used for Al-Zn-Mg-Cu alloy. After the optimization tests, it was seen that the most effective lubricant for the dies was MoS{sub 2}, the pressing pressure was around 25-35 ton and the pressing speed was 2 mm/s. By using these parameters, the Al-Zn-Mg-Cu alloy was successfully ECAPed up to 14 passes at 200 deg. C using route C. After ECAP tests, the specimens were characterized by transmission electron microscope (TEM), hardness and macrostructural investigations. It was seen that the plastic deformation in the ECAPed specimens occurred from edge to the centre like whirlpool. In addition, the deformation intensity increased with increasing pass number. The grain size of the specimens effectively also decreased with increasing pass number. That is, while the grain size of unECAPed specimen was 10 {mu}m, this value decreased to 300 nm after 14 passes. At the beginning, while there was a banding tendency in the grains toward deformation direction, homogeneous and equiaxed grains were formed with increasing pass number. This grain refinement was as a result of an interaction between shear strain and thermal recovery during ECAP processing. Hardness measurements showed that the hardness values increased up to 4 passes, decreased effectively at 6th pass, again increased at 8th pass and after this pass, the hardness again decreased due to dynamic recrystallization.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The purification process on scintillator material (SrI{sub 2}: Eu) by zone-refinement technique

The thermal properties of Europium doped strontium iodide was analyzed through Thermogravimetric (TG) and differential thermal analyses (DTA). The melting point of europium doped strontium iodide is around 531°C. The hydrated and oxyhalide impurities were found before melting temperature. In order to remove these impurities we have done purification process by Zone-refinement technique. The effective output of purification of zone refining was also observed through the segregation of impurities.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Refining perovskite structures to pair distribution function data using collective Glazer modes as a basis

Structural modelling of octahedral tilts in perovskites is typically carried out using the symmetry constraints of the resulting space group. In most cases, this introduces more degrees of freedom than those strictly necessary to describe only the octahedral tilts. It can therefore be a challenge to disentangle the octahedral tilts from other structural distortions such as cation displacements and octahedral distortions. This paper reports the development of constraints for modelling pure octahedral tilts and implementation of the constraints in diffpy-CMI, a powerful package to analyse pair distribution function (PDF) data. The model in the program allows features in the PDF that come from rigid tilts to be separated from non-rigid relaxations, providing an intuitive picture of the tilting. The model has many fewer refinable variables than the unconstrained space group fits and provides robust and stable refinements of the tilt components. It further demonstrates the use of the model on the canonical tilted perovskite CaTiO 3 which has the known Glazer tilt system α + β – β – . The Glazer model fits comparably to the corresponding space-group model Pnma below r = 14 Å and becomes progressively worse than the space-group model at higher r due to non-rigid distortions in the real material.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Conformation-dependent backbone geometry restraints set a new standard for protein crystallographic refinement

Ideal values of bond angles and lengths used as external restraints are crucial for the successful refinement of protein crystal structures at all but the highest of resolutions. The restraints in common usage today have been designed based on the assumption that each type of bond or angle has a single ideal value independent of context. However, recent work has shown that the ideal values are, in fact, sensitive to local conformation, and as a first step toward using such information to build more accurate models, ultra-high resolution protein crystal structures have been used to derive a conformation-dependent library (CDL) of restraints for the protein backbone (Berkholz et al. 2009. Structure. 17, 1316). Here, we report the introduction of this CDL into the Phenix package and the results of test refinements of thousands of structures across a wide range of resolutions. These tests show that use of the conformation dependent library yields models that have substantially better agreement with ideal main-chain bond angles and lengths and, on average, a slightly enhanced fit to the X-ray data. No disadvantages of using the backbone CDL are apparent. In Phenix usage of the CDL can be selected by simply specifying the cdl=True option. This successful implementation paves the way for further aspects of the context-dependence of ideal geometry to be characterized and applied to improve experimental and predictive modelling accuracy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Error Characteristics of Two Grid Refinement Approaches in Aquaplanet Simulations: MPAS-A and WRF

This study compares the error characteristics associated with two grid refinement approaches including global variable resolution and nesting for high resolution regional climate modeling. The global variable resolution model, Model for Prediction Across Scales-Atmosphere (MPAS-A), and the limited area model, Weather Research and Forecasting (WRF) model, are compared in an idealized aqua-planet context. For MPAS-A, simulations have been performed with a quasi-uniform resolution global domain at coarse (1°) and high (0.25°) resolution, and a variable resolution domain with a high resolution region at 0.25° configured inside a coarse resolution global domain at 1° resolution. Similarly, WRF has been configured to run on a coarse (1°) and high (0.25°) tropical channel domain as well as a nested domain with a high resolution region at 0.25° nested two-way inside the coarse resolution (1°) tropical channel. The variable resolution or nested simulations are compared against the high resolution simulations. Both models respond to increased resolution with enhanced precipitation. Limited and significant reduction in the ratio of convective to non-convective precipitation. The limited area grid refinement induces zonal asymmetry in precipitation (heating), accompanied by zonal anomalous Walker like circulations and standing Rossby wave signals. Within the high resolution limited area, the zonal distribution of precipitation is affected by advection in MPAS-A and by the nesting strategy in WRF. In both models, 20 day Kelvin waves propagate through the high-resolution domains fairly unaffected by the change in resolution (and the presence of a boundary in WRF) but increased resolution strengthens eastward propagating inertio-gravity waves.

58 GEOSCIENCES↗
DOE OSTI2025

The Alamo multiphysics solver for phase field simulations with strong-form mechanics and block structured adaptive mesh refinement

Alamo is a high-performance scientific code that uses block-structured adaptive mesh refinement to solve such problems as: the ignition and burn of solid rocket propellant, plasticity, damage and fracture in materials undergoing loading, and the interaction of compressible flow with eroding solid materials. Alamo is powered by AMReX, and provides a set of unique methods, models, and algorithms that enable it to solve solid-mechanics problems (coupled to other physical behavior such as fluid flow or thermal diffusion) using the power of block-structured adaptive mesh refinement.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Wavelet-based local mesh refinement for rainfall–runoff simulations

A wavelet-based local mesh refinement (wLMR) strategy is designed to generate multiresolution and unstructured triangular meshes from real digital elevation model (DEM) data for efficient hydrological simulations at the catchment scale. The wLMR strategy is studied considering slope- and curvature-based refinement criteria to analyze DEM inputs: the slope-based criterion uses bed elevation data as input to the wLMR strategy, whereas the curvature-based criterion feeds the bed slope data into it. The performance of the wLMR meshes generated by these two criteria is compared for hydrological simulations; first, using three analytical tests with the systematic variation in topography types and then by reproducing laboratory- and real-scale case studies. The bed elevation on the wLMR meshes and their simulation results are compared relative to those achieved on the finest uniform mesh. Repeated analytical tests show that the slope- and curvature-based criteria are equally effective with the wLMR strategy, and that it is easier to decide which criterion to take in relation to the (regular) shape of the topography. For the realistic case studies: (i) slope analysis provides a better metric to assess the correlation of a wLMR mesh to the fine uniform mesh and (ii) both criteria predict outlet hydrographs with a close predictive accuracy to that on the uniform mesh, but the curvature-based criterion is found to slightly better capture the channeling patterns of real DEM data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Segmental Refinement: A Multigrid Technique for Data Locality

We investigate a technique - segmental refinement (SR) - proposed by Brandt in the 1970s as a low memory multigrid method. The technique is attractive for modern computer architectures because it provides high data locality, minimizes network communication, is amenable to loop fusion, and is naturally highly parallel and asynchronous. The network communication minimization property was recognized by Brandt and Diskin in 1994; we continue this work by developing a segmental refinement method for a finite volume discretization of the 3D Laplacian on massively parallel computers. An understanding of the asymptotic complexities, required to maintain textbook multigrid efficiency, are explored experimentally with a simple SR method. A two-level memory model is developed to compare the asymptotic communication complexity of a proposed SR method with traditional parallel multigrid. Performance and scalability are evaluated with a Cray XC30 with up to 64K cores. We achieve modest improvement in scalability from traditional parallel multigrid with a simple SR implementation.

3D Laplacian↗
DOE OSTI2019

An Industrial Membrane System Suitable for Distributed Used Oil Re-refining

Under this SBIR project, Media and Process Technology Inc (MPT) has achieved ~60% cost reduction and system foot print of its ceramic membrane product, which leads to successful commercialization of its industrial ceramic membrane process to large scale applications. Ceramic membrane is known for its rugged materials and performance reliability; however, it has been limited in niche applications due to its cost and footprint. The low-cost ceramic membrane thus developed under this project has been field tested successfully in our semi-works production facility for used oil re-refining. Our membrane subsystem of our re-refining production capacity was tripled through the installation of this low-cost high packing density of ceramic membranes. In addition, we have successfully field tested/demonstrated with a pilot unit in two large scale applications for refinery FCC slurry upgrading and decoker/amine scrubber wastewater treatment. Commercialization of these two applications in oil refineries are currently actively pursued by our commercialization partner. With regard to the membrane product sales, we have produced >500 m 2 ceramic membranes for two full-scale installations for industrial oil/water separations in 2017, which is equivalent to ~50% of the annual US ceramic membrane market size. We will continue to push our low-cost high packing density ceramic membrane developed from this project for large scale applications, which are not currently occupied by existing ceramic membranes.

02 PETROLEUM↗
DOE OSTI2019

Exponential Strong Converse for Successive Refinement with Causal Decoder Side Information

We consider the k-user successive refinement problem with causal decoder side information and derive an exponential strong converse theorem. The rate-distortion region for the problem can be derived as a straightforward extension of the two-user case by Maor and Merhav (2008). We show that for any rate-distortion tuple outside the rate-distortion region of the k-user successive refinement problem with causal decoder side information, the joint excess-distortion probability approaches one exponentially fast. Our proof follows by judiciously adapting the recently proposed strong converse technique by Oohama using the information spectrum method, the variational form of the rate-distortion region and Hölder’s inequality. The lossy source coding problem with causal decoder side information considered by El Gamal and Weissman is a special case (k = 1) of the current problem. Therefore, the exponential strong converse theorem for the El Gamal and Weissman problem follows as a corollary of our result.

42 ENGINEERING↗
NASA NTRS2005

Calibration Refinements in Support of MISR

The Multi-angle Imaging SpectroRadiometer (MISR) is one of five instruments on-board the EOSI Terra spacecraft, and has collected science data since March 2000. A multi-angle capability is provided by ninecameras, which view up to 70' forward and aft of the spacecraft track and enable unique geophysical retrievals. Throughout its mission, a calibration team has made periodic refinements to the process used to calibrate MISR. These have resulted in improved absolute, and band and camera-relative calibrations, as well as in derived geophysical data products. Data reprocessing is on-going, such that these refinements also improve previous data acquisitions. The calibration process is believed to be mature at this time, with no other changes anticipated. Bimonthly deployments of the on-board-calibrator continue to monitor instrument response degradations, and provide correction coefficients needed to maintain the accuracy of the radiance products.

refinements↗