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At least 613 records · Page 34

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DOE OSTI2014

Accurate gradient approximation for complex interface problems in 3D by an improved coupling interface method

Most elliptic interface solvers become complicated for complex interface problems at those “exceptional points” where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule ( (1D63)) which is double-helix shape and composed of hundreds of atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Spontaneous imbibition in a square tube with corner films: theoretical model and numerical simulation

Spontaneous imbibition in an angular tube with corner films is a fundamental problem in many scientific and engineering processes. In this paper, a modified interacting capillary bundle model is developed to describe the liquid imbibition dynamics in a square tube with corner films. The square tube is decomposed into several interacting sub-capillaries and the local capillary pressure in each sub-capillary is derived based on the specific shape of its meniscus. The conductance of each sub-capillary is calculated using single-phase lattice Boltzmann simulation. The modified interacting capillary bundle model and color-gradient lattice Boltzmann method are used to simulate the liquid imbibition dynamics in the square tube with different fluid properties. The predictions by the modified interacting capillary bundle model match well with the lattice Boltzmann simulation results for different conditions, demonstrating the accuracy and robustness of the interacting capillary bundle model to describe the imbibition dynamics with corner films. In addition, the interacting capillary bundle model is helpful to investigate the mechanisms during spontaneous imbibition and the influences of fluid viscosity, surface tension, wetting phase contact angle and gravity on imbibition dynamics. Finally, a universal scaling law of imbibition dynamics for the main meniscus is developed and the scaling law for arc meniscus is also analyzed.

42 ENGINEERING↗

DOE OSTI2015

Local curvature analysis for classifying breast tumors: Preliminary analysis in dedicated breast CT

Purpose: The purpose of this study is to measure the effectiveness of local curvature measures as novel image features for classifying breast tumors. Methods: A total of 119 breast lesions from 104 noncontrast dedicated breast computed tomography images of women were used in this study. Volumetric segmentation was done using a seed-based segmentation algorithm and then a triangulated surface was extracted from the resulting segmentation. Total, mean, and Gaussian curvatures were then computed. Normalized curvatures were used as classification features. In addition, traditional image features were also extracted and a forward feature selection scheme was used to select the optimal feature set. Logistic regression was used as a classifier and leave-one-out cross-validation was utilized to evaluate the classification performances of the features. The area under the receiver operating characteristic curve (AUC, area under curve) was used as a figure of merit. Results: Among curvature measures, the normalized total curvature (C{sub T}) showed the best classification performance (AUC of 0.74), while the others showed no classification power individually. Five traditional image features (two shape, two margin, and one texture descriptors) were selected via the feature selection scheme and its resulting classifier achieved an AUC of 0.83. Among those five features, the radial gradient index (RGI), which is a margin descriptor, showed the best classification performance (AUC of 0.73). A classifier combining RGI and C{sub T} yielded an AUC of 0.81, which showed similar performance (i.e., no statistically significant difference) to the classifier with the above five traditional image features. Additional comparisons in AUC values between classifiers using different combinations of traditional image features and C{sub T} were conducted. The results showed that C{sub T} was able to replace the other four image features for the classification task. Conclusions: The normalized curvature measure contains useful information in classifying breast tumors. Using this, one can reduce the number of features in a classifier, which may result in more robust classifiers for different datasets.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Time-Resolved X-ray Operando Observations of Lithiation Gradients across the Cathode Matrix and Individual Oxide Particles during Fast Cycling of a Li-Ion Cell

Lithiated transition metal oxides serve as active materials in the positive electrode (cathode) of lithium-ion cells. During electrochemical cycling, lithium ions intercalate and deintercalate into these oxide particles. This behavior causes two types of lithiation gradients to emerge: (i) a bulk gradient across the depth of the cathode matrix (averaged over individual oxide particles) and (ii) a microscopic gradient across the particles themselves, which also depends on their location in the electrode. Here we show how both gradients can be studied using operando X-ray diffraction during 4C charge and 4C discharge. The oxide (de)lithiation is estimated from the unit cell parameters by indexing the X-ray diffraction spectra. By fitting the lithiation profiles with orthogonal polynomials, the bulk gradients across the electrode thickness are quantified. These gradients develop as the current flows through the cell and dissipate during open-circuit and potentiostatic-hold periods. Further details of lithiation dynamics can be obtained through shape analysis of the Bragg peaks. In particular, from electrochemical model simulations, we show that the width and skewness of the (003) peak track (de)lithiation fronts moving across the individual oxide particles.

(003) peak↗

DOE OSTI2016

The Composition and Spatial Patterns of Bacterial Virulence Factors and Antibiotic Resistance Genes in 19 Wastewater Treatment Plants

Bacterial pathogenicity and antibiotic resistance are of concern for environmental safety and public health. Accumulating evidence suggests that wastewater treatment plants (WWTPs) are as an important sink and source of pathogens and antibiotic resistance genes (ARGs). Virulence genes (encoding virulence factors) are good indicators for bacterial pathogenic potentials. To achieve a comprehensive understanding of bacterial pathogenic potentials and antibiotic resistance in WWTPs, bacterial virulence genes and ARGs in 19 WWTPs covering a majority of latitudinal zones of China were surveyed by using GeoChip 4.2. A total of 1610 genes covering 13 virulence factors and 1903 genes belonging to 11 ARG families were detected respectively. The bacterial virulence genes exhibited significant spatial distribution patterns of a latitudinal biodiversity gradient and a distance-decay relationship across China. Moreover, virulence genes tended to coexist with ARGs as shown by their strongly positive associations. In addition, key environmental factors shaping the overall virulence gene structure were identified. This study profiles the occurrence, composition and distribution of virulence genes and ARGs in current WWTPs in China, and uncovers spatial patterns and important environmental variables shaping their structure, which may provide the basis for further studies of bacterial virulence factors and antibiotic resistance in WWTPs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Modeling Manufacturing Impacts on Aging and Reliability of Polyurethane Foams

Polyurethane is a complex multiphase material that evolves from a viscous liquid to a system of percolating bubbles, which are created via a CO2 generating reaction. The continuous phase polymerizes to a solid during the foaming process generating heat. Foams introduced into a mold increase their volume up to tenfold, and the dynamics of the expansion process may lead to voids and will produce gradients in density and degree of polymerization. These inhomogeneities can lead to structural stability issues upon aging. For instance, structural components in weapon systems have been shown to change shape as they age depending on their molding history, which can threaten critical tolerances. The purpose of this project is to develop a Cradle-to-Grave multiphysics model, which allows us to predict the material properties of foam from its birth through aging in the stockpile, where its dimensional stability is important.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Morphology of calcite crystals in clast coatings from four soils in the Mojave desert region

Pedogenic calcite-crystal coatings on clasts were examined in four soils along an altitudinal gradient on Kyle Canyon alluvium in southern Nevada. Clast coatings were studied rather than matrix carbonate to avoid the effects of soil matrix on crystallization. Six crystal sizes and shapes were recognized and distinguished. Equant micrite was the dominant crystal form with similar abundance at all elevations. The distributions of five categories of spar and microspar appear to be influenced by altitudinally induced changes in effective moisture. In the drier, lower elevation soils, crystals were equant or parallel prismatic with irregular, interlocking boundaries while in the more moist, higher elevation soils they were randomly oriented, euhedral, prismatic, and fibrous. There was little support for the supposition that Mg(+2) substitution or increased (Mg + Ca)/HCO3 ratios in the precipitating solution produced crystal elongation.

Chadwick, Oliver A.↗

NASA NTRS1959

Stability of a Horizontal Fluid Layer with Unsteady Heating from Below and Time-Dependent Body Force

The stability of a horizontal layer of fluid in an accelerated container heated unsteadily from below was investigated theoretically, assuming an incompressible fluid with small density changes resulting from heating. The critical Rayleigh numbers based on the over-all density differential are much higher than for the static case, are dependent only on the density distribution, and instantaneous value of the acceleration, and are independent of Prandtl number and rate of change of temperature and body force field. The initial motion corresponds to approximately the same cell shape as for the static case. Rate of transition of temperature perturbations from a stable to an unstable condition is proportional to the rate of increase of the temperature gradient in the region well removed from the walls; rate of transition of the slow motion is proportional to the Prandtl number and rate of increase of the body force field.

Goldstein, Arthur W.↗

NASA NTRS2006

Improving Thermomechanical Properties of SiC/SiC Composites

Today, a major thrust toward improving the thermomechanical properties of engine components lies in the development of fiber-reinforced silicon carbide matrix composite materials, including SiC-fiber/SiC-matrix composites. These materials are lighter in weight and capable of withstanding higher temperatures, relative to state-of-the-art metallic alloys and oxide-matrix composites for which maximum use temperatures are in the vicinity of 1,100 C. In addition, the toughness or damage tolerance of the SiC-matrix composites is significantly greater than that of unreinforced silicon-based monolithic ceramics. For successful application in advanced engine systems, the SiC-matrix composites should be able to withstand component service stresses and temperatures for the desired component lifetimes. Inasmuch as the high-temperature structural lives of ceramic materials are typically limited by creep-induced growth of flaws, a key property required of such composite materials is high resistance to creep under conditions of use. Also, the thermal conductivity of the materials should be as high as possible so as to minimize component thermal gradients and thermal stresses. A state-of-the-art SiC-matrix composite is typically fabricated in a three-step process: (1) fabrication of a component-shaped architectural preform reinforced by thermally stable high-performance fibers, (2) chemical-vapor infiltration (CVI) of a fiber-coating material such as boron nitride (BN) into the preform, and (3) infiltration of an SiC-based matrix into the remaining porosity in the preform. Generally, the matrices of the highest-performing composites are fabricated by initial use of a CVI SiC matrix component that is typically more thermally stable and denser than matrix components formed by processes other than CVI. As such, the initial SiC matrix component made by CVI provides better environmental protection to the coated fibers embedded within it. Also, the denser CVI SiC imparts to the composite better resistance to propagation of cracks, enhanced thermal conductivity, and higher creep resistance.

DiCarlo, James A.↗

DOE OSTI2016

SU-F-I-19: MRI Positive Contrast Visualization of Prostate Brachytherapy Seeds Using An Integrated Laplacian-Based Phase Processing

Purpose: To propose a new method that provides a positive contrast visualization of the prostate brachytherapy seeds using the phase information from MR images. Additionally, the feasibility of using the processed phase information to distinguish seeds from calcifications is explored. Methods: A gel phantom was constructed using 2% agar dissolved in 1 L of distilled water. Contrast agents were added to adjust the relaxation times. Four iodine-125 (Eckert & Ziegler SML86999) dummy seeds were placed at different orientations with respect to the main magnetic field (B0). Calcifications were obtained from a sheep femur cortical bone due to its close similarity to human bone tissue composition. Five samples of calcifications were shaped into different dimensions with lengths ranging between 1.2 – 6.1 mm.MR imaging was performed on a 3T Philips Achieva using an 8-channel head coil. Eight images were acquired at eight echo-times using a multi-gradient echo sequence. Spatial resolution was 0.7 × 0.7 × 2 mm, TR/TE/dTE = 20.0/2.3/2.3 ms and BW = 541 Hz/pixel. Complex images were acquired and fed into a two-step processing pipeline: the first includes phase unwrapping and background phase removal using Laplacian operator (Wei et al. 2013). The second step applies a specific phase mask on the resulting tissue phase from the first step to provide the desired positive contrast of the seeds and to, potentially, differentiate them from the calcifications. Results: The phase-processing was performed in less than 30 seconds. The proposed method has successfully resulted in a positive contrast of the brachytherapy seeds. Additionally, the final processed phase image showed difference between the appearance of seeds and calcifications. However, the shape of the seeds was slightly distorted compared to the original dimensions. Conclusion: It is feasible to provide a positive contrast of the seeds from MR images using Laplacian operator-based phase processing.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1995

Shape optimization of single- and two-element airfoils on multiblock grids

A multiblock, discrete sensitivity analysis method is used to couple a direct optimization method and a flow analysis method. The domain is divided into smaller subdomains for which the sensitivities are obtained separately. Then, an effective sensitivity equation is solved to complete the coupling of all the sensitivity information. The flow analysis is based on the thin-layer Navier-Stokes equations solved by an implicit, upwind-biased, finite-volume method. The method of feasible directions is used for the present gradient-based optimization approach. First, a transonic airfoil is optimized to investigate the behavior of the method in highly nonlinear flows as well as the effect of different blocking strategies on the procedure. A supercritical airfoil is produced from an initially symmetric airfoil with multiblocking affecting the path but not the final shape. Secondly, a two-element airfoil is shape optimized in subsonic flow to demonstrate the present method's capability of shaping aerodynamically interfering elements simultaneously. For a very low and a very high Reynolds number cases, the shape of the main airfoil and the flap are optimized to yield improved lift-to-drag ratios.

Lacasse, James M.↗

DOE OSTI2022

Degradation Reduces Microbial Richness and Alters Microbial Functions in an Australian Peatland

Abstract Peatland ecosystems cover only 3% of the world’s land area; however, they store one-third of the global soil carbon (C). Microbial communities are the main drivers of C decomposition in peatlands, yet we have limited knowledge of their structure and function. While the microbial communities in the Northern Hemisphere peatlands are well documented, we have limited understanding of microbial community composition and function in the Southern Hemisphere peatlands, especially in Australia. We investigated the vertical stratification of prokaryote and fungal communities from Wellington Plains peatland in the Australian Alps. Within the peatland complex, bog peat was sampled from the intact peatland and dried peat from the degraded peatland along a vertical soil depth gradient (i.e., acrotelm, mesotelm, and catotelm). We analyzed the prokaryote and fungal community structure, predicted functional profiles of prokaryotes using PICRUSt, and assigned soil fungal guilds using FUNGuild. We found that the structure and function of prokaryotes were vertically stratified in the intact bog. Soil carbon, manganese, nitrogen, lead, and sodium content best explained the prokaryote composition. Prokaryote richness was significantly higher in the intact bog acrotelm compared to degraded bog acrotelm. Fungal composition remained similar across the soil depth gradient; however, there was a considerable increase in saprotroph abundance and decrease in endophyte abundance along the vertical soil depth gradient. The abundance of saprotrophs and plant pathogens was two-fold higher in the degraded bog acrotelm. Soil manganese and nitrogen content, electrical conductivity, and water table level (cm) best explained the fungal composition. Our results demonstrate that both fungal and prokaryote communities are shaped by soil abiotic factors and that peatland degradation reduces microbial richness and alters microbial functions. Thus, current and future changes to the environmental conditions in these peatlands may lead to altered microbial community structures and associated functions which may have implications for broader ecosystem function changes in peatlands.

Environmental Sciences & Ecology↗

DOE OSTI2017

Lensing Constraints on the Mass Profile Shape and the Splashback Radius of Galaxy Clusters

The lensing signal around galaxy clusters can, in principle, be used to test detailed predictions for their average mass profile from numerical simulations. However, the intrinsic shape of the profiles can be smeared out when a sample that spans a wide range of cluster masses is averaged in physical length units. This effect especially conceals rapid changes in gradient such as the steep drop associated with the splashback radius, a sharp edge corresponding to the outermost caustic in accreting halos. We optimize the extraction of such local features by scaling individual halo profiles to a number of spherical overdensity radii, and apply this method to 16 X-ray-selected, high-mass clusters targeted in the Cluster Lensing And Supernova survey with Hubble. By forward-modeling the weak- and strong-lensing data presented by Umetsu et al., we show that, regardless of the scaling overdensity, the projected ensemble density profile is remarkably well described by a Navarro–Frenk–White (NFW) or Einasto profile out to R∼2.5 h{sup −1} Mpc, beyond which the profiles flatten. We constrain the NFW concentration to c{sub 200c}=3.66±0.11 at M{sub 200c}≃1.0×10{sup 15} h{sup −1} M{sub ⊙}, consistent with and improved from previous work that used conventionally stacked lensing profiles, and in excellent agreement with theoretical expectations. Assuming the profile form of Diemer and Kravtsov and generic priors calibrated from numerical simulations, we place a lower limit on the splashback radius of the cluster halos, if it exists, of R{sub sp}{sup 3D}/r{sub 200m}>0.89 (R{sub sp}{sup 3D}>1.83 h{sup −1} Mpc) at 68% confidence. The corresponding density feature is most pronounced when the cluster profiles are scaled by r{sub 200m}, and smeared out when scaled to higher overdensities.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

The Curvature-Augmented Closest Point method with vesicle inextensibility application

Here, the Closest Point method, initially developed by Ruuth and Merriman, allows for the numerical solution of surface partial differential equations without the need for a parameterization of the surface itself. Surface quantities are embedded into the surrounding domain by assigning each value at a given spatial location to the corresponding value at the closest point on the surface. This embedding allows for surface derivatives to be replaced by their Cartesian counterparts (e.g. ∇ s =∇). This equivalence is only valid on the surface, and thus, interpolation is used to enforce what is known as the side condition away from the surface. To improve upon the method, this work derives an operator embedding that incorporates curvature information, making it valid in a neighborhood of the surface. With this, direct enforcement of the side condition is no longer needed. Comparisons in R 2 and R 3 show that the resulting Curvature-Augmented Closest Point method has better accuracy and requires less memory, through increased matrix sparsity, than the Closest Point method, while maintaining similar matrix condition numbers. To demonstrate the utility of the method in a physical application, simulations of inextensible, bi-lipid vesicles evolving toward equilibrium shapes are also included.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Observation of a new pedestal stability regime in MAST Upgrade H-mode plasmas

Abstract The first pedestal stability and structure analysis on the new MAST Upgrade (MAST-U) spherical tokamak H-mode plasmas is presented. Our results indicate that MAST-U pedestals are close to the low toroidal mode number ( n ) peeling branch of the peeling-ballooning instability, in contrast with MAST H-mode pedestals which were deeply in the high- n ballooning branch. This offers the possibility of reaching the ELM-free quiescent H-mode (Burrell et al 2005 Plasma Phys. Control. Fusion 47 B37–B52) or high-performance super H-mode (Snyder et al 2015 Nucl. Fusion 55 083026; Snyder et al 2019 Nucl. Fusion 59 086017) regimes. In addition, the coupling between the peeling and ballooning branches is weak in MAST-U, suggesting that a path to very high pedestal pressure gradient at high density may exist with sufficient heating power. A possible explanation for the differences between MAST and MAST-U pedestal stability is given in terms of plasma shaping parameters, in particular squareness and elongation, as well as the pedestal top temperature and collisionality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Functional Traits Resolve Mechanisms Governing the Assembly and Distribution of Nitrogen-Cycling Microbial Communities in the Global Ocean

Microorganisms drive much of the marine nitrogen (N) cycle, which jointly controls the primary production in the global ocean. However, our understanding of the microbial communities driving the global ocean N cycle remains fragmented. Focusing on “who is doing what, where, and how?”, this study draws a clear picture describing the global biogeography of marine N-cycling microbial communities by utilizing the Tara Oceans shotgun metagenomes. The marine N-cycling communities are highly variable taxonomically but relatively even at the functional trait level, showing clear functional redundancy properties. The functional traits and taxonomic groups are shaped by the same set of geo-environmental factors, among which, depth is the major factor impacting marine N-cycling communities, differentiating mesopelagic from epipelagic communities. Latitudinal diversity gradients and distance-decay relationships are observed for taxonomic groups, but rarely or weakly for functional traits. The composition of functional traits is strongly deterministic as revealed by null model analysis, while a higher degree of stochasticity is observed for taxonomic composition. Integrating multiple lines of evidence, in addition to drawing a biogeographic picture of marine N-cycling communities, this study also demonstrated an essential microbial ecological theory—determinism governs the assembly of microbial communities performing essential biogeochemical processes; the environment selects functional traits rather than taxonomic groups; functional redundancy underlies stochastic taxonomic community assembly.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1991

Thermoelastic vibration test techniques

The structural integrity of proposed high speed aircraft can be seriously affected by the extremely high surface temperatures and large temperature gradients throughout the vehicle's structure. Variations in the structure's elastic characteristics as a result of thermal effects can be observed by changes in vibration frequency, damping, and mode shape. Analysis codes that predict these changes must be correlated and verified with experimental data. The experimental modal test techniques and procedures used to conduct uniform, nonuniform, and transient thermoelastic vibration tests are presented. Experimental setup and elevated temperature instrumentation considerations are also discussed. Modal data for a 12 by 50 inch aluminum plate heated to a temperature of 475 F are presented. These data show the effect of heat on the plate's modal characteristics. The results indicated that frequency decreased, damping increased, and mode shape remained unchanged as the temperature of the plate was increased.

Kehoe, Michael W.↗

NASA NTRS1991

Thermoelastic vibration test techniques

Kehoe, Michael W.↗