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DOE OSTI2015

A NEW APPROACH TO DETERMINE OPTICALLY THICK H{sub 2} COOLING AND ITS EFFECT ON PRIMORDIAL STAR FORMATION

We present a new method for estimating the H{sub 2} cooling rate in the optically thick regime in simulations of primordial star formation. Our new approach is based on the TreeCol algorithm, which projects matter distributions onto a spherical grid to create maps of column densities for each fluid element in the computational domain. We have improved this algorithm by using the relative gas velocities to weight the individual matter contributions with the relative spectral line overlaps, in order to properly account for the Doppler effect. We compare our new method to the widely used Sobolev approximation, which yields an estimate for the column density based on the local velocity gradient and the thermal velocity. This approach generally underestimates the photon escape probability because it neglects the density gradient and the actual shape of the cloud. We present a correction factor for the true line overlap in the Sobolev approximation and a new method based on local quantities, which fits the exact results reasonably well during the collapse of the cloud, with the error in the cooling rates always being less than 10%. Analytical fitting formulae fail at determining the photon escape probability after formation of the first protostar (error of ∼40%) because they are based on the assumption of spherical symmetry and therefore break down once a protostellar accretion disk has formed. Our method yields lower temperatures and hence promotes fragmentation for densities above ∼10{sup 10} cm{sup –3} at a distance of ∼200 AU from the first protostar. Since the overall accretion rates are hardly affected by the cooling implementation, we expect Pop III stars to have lower masses in our simulations, compared to the results of previous simulations that used the Sobolev approximation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Meta Biome: a multiscale model integrating agent-based and metabolic networks to reveal spatial regulation in gut mucosal microbial communities

ABSTRACT Mucosal microbial communities (MMCs) are complex ecosystems near the mucosal layers of the gut essential for maintaining health and modulating disease states. Despite advances in high-throughput omics technologies, current methodologies struggle to capture the dynamic metabolic interactions and spatiotemporal variations within MMCs. In this work, we presentMetaBiome, a multiscale model integrating agent-based modeling (ABM), finite volume methods, and constraint-based models to explore the metabolic interactions within these communities. Integrating ABM allows for the detailed representation of individual microbial agents each governed by rules that dictate cell growth, division, and interactions with their surroundings. Through a layered approach—encompassing microenvironmental conditions, agent information, and metabolic pathways—we simulated different communities to showcase the potential of the model. Using ourin-silicoplatform, we explored the dynamics and spatiotemporal patterns of MMCs in the proximal small intestine and the cecum, simulating the physiological conditions of the two gut regions. Our findings revealed how specific microbes adapt their metabolic processes based on substrate availability and local environmental conditions, shedding light on spatial metabolite regulation and informing targeted therapies for localized gut diseases.MetaBiome provides a detailed representation of microbial agents and their interactions, surpassing the limitations of traditional grid-based systems. This work marks a significant advancement in microbial ecology, as it offers new insights into predicting and analyzing microbial communities. IMPORTANCE Our study presents a novel multiscale model that combines agent-based modeling, finite volume methods, and genome-scale metabolic models to simulate the complex dynamics of mucosal microbial communities in the gut. This integrated approach allows us to capture spatial and temporal variations in microbial interactions and metabolism that are difficult to study experimentally. Key findings from our model include the following: (i) prediction of metabolic cross-feeding and spatial organization in multi-species communities, (ii) insights into how oxygen gradients and nutrient availability shape community composition in different gut regions, and (iii) identification of spatiallyregulated metabolic pathways and enzymes inE. coli. We believe this work represents a significant advance in computational modeling of microbial communities and provides new insights into the spatial regulation of gut microbiome metabolism. The multiscale modeling approach we have developed could be broadly applicable for studying other complex microbial ecosystems.

Microbiology↗

DOE OSTI2023

Feasibility Evaluation of a Solid Phase Scalable HEA Cladding Manufacturing Route

First of a kind development result on two low-energy solid-phase processes applied on an irradiation-resistant alloy, NiCoFeCrCu 0.12 , are achieved and demonstrate moderate feasibility of successful tube fabrication using shear assisted processing and extrusion (ShAPE™) and friction stir layer deposition as a bulk manufacturing process. The scope of the work is performed in four phases: 1) direct tube manufacturing of the irradiation-resistant high-entropy alloy (HEA) composite with increased strength, 2) co-shear lining manufacturing process for the increased strength and corrosion-resistant, irradiation-tolerant HEAs, 3) ShAPE of the radially gradient corrosion resistance alloy, and 4) alloy development and fabrication enabled through friction stir additive manufacturing processes among others. This report describes the development activities from April to December 2023 to manufacture a direct customizable thin-walled tubular product from irradiation-tolerant composite high-entropy alloys (C-HEAs) while the overall project is continuing in 2024.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Heat Transport Hysteresis Generated Through Frequency Switching of a Time-Dependent Temperature Gradient

A stochastic energetics framework is applied to examine how periodically shifting the frequency of a time-dependent oscillating temperature gradient affects heat transport in a nanoscale molecular model. We specifically examine the effects that frequency switching, i.e., instantaneously changing the oscillation frequency of the temperature gradient, has on the shape of the heat transport hysteresis curves generated by a particle connected to two thermal baths, each with a temperature that is oscillating in time. Analytical expressions are derived for the energy fluxes in/out of the system and the baths, with excellent agreement observed between the analytical expressions and the results from nonequilibrium molecular dynamics simulations. We find that the shape of the heat transport hysteresis curves can be significantly altered by shifting the frequency between fast and slow oscillation regimes. We also observe the emergence of features in the hysteresis curves such as pinched loops and complex multi-loop patterns due to the frequency shifting. The presented results have implications in the design of thermal neuromorphic devices such as thermal memristors and thermal memcapacitors.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Detecting Anomalous Images in Astronomical Datasets

Abstract Environmental and instrumental conditions can cause anomalies in astronomical images, which can potentially bias all kinds of measurements if not excluded. Detection of the anomalous images is usually done by human eyes, which is slow and sometimes not accurate. This is an important issue in weak lensing studies, particularly in the era of large-scale galaxy surveys, in which image qualities are crucial for the success of galaxy shape measurements. In this work we present two automatic methods for detecting anomalous images in astronomical data sets. The anomalous features can be divided into two types: one is associated with the source images, and the other appears on the background. Our first method, called the entropy method, utilizes the randomness of the orientation distribution of the source shapes and the background gradients to quantify the likelihood of an exposure being anomalous. Our second method involves training a neural network (autoencoder) to detect anomalies. We evaluate the effectiveness of the entropy method on the Canada–France–Hawaii Telescope Lensing Survey (CFHTLenS) and Dark Energy Camera Legacy Survey (DECaLS DR3) data. In CFHTLenS, with 1171 exposures, the entropy method outperforms human inspection by detecting 12 of the 13 anomalous exposures found during human inspection and uncovering 10 new ones. In DECaLS DR3, with 17112 exposures, the entropy method detects a significant number of anomalous exposures while keeping a low false-positive rate. We find that although the neural network performs relatively well in detecting source anomalies, its current performance is not as good as the entropy method.

Astronomy & Astrophysics↗

NASA NTRS1971

An analysis and comparison of several trajectory optimization methods

The sensitivities of the convergence characteristics of the methods to initially assumed parameters and trial solution, convergence times, computer logic, and storage requirements are discussed. Numerical comparison of the convergence characteristics is made by considering a minimum time, low thrust, Earth-Mars transfer trajectory. A modified quasi-linearization method reduces convergence time by approximately 70% when compared with the generalized Newton-Raphson method and allows the terminal boundary to be specified by a general function of the problem variables. A uniquely specified and easily determined, time dependent weighting matrix for the gradient techniques accelerates the shaping of the optimal control program and improves the convergence characteristics during the terminal iterations. Convergence envelopes, indicating how sensitive the convergence characteristics are to initially assumed parameters, are plotted for the perturbation and quasi-linearization methods. Several iteration schemes are proposed which increase the size of the convergence envelopes and decrease the sensitivity of the method to initially assumed parameters.

Lewallen, J. M.↗

NASA NTRS1974

Theoretical prediction of thick wing and pylon-fuselage-fanpod-nacelle aerodynamic characteristics at subcritical speeds. Part 1: Theory and results

The theoretical development and the comparison of results with data of a thick wing and pylon-fuselage-fanpod-nacelle analysis are presented. The analysis utilizes potential flow theory to compute the surface velocities and pressures, section lift and center of pressure, and the total configuration lift, moment, and vortex drag. The skin friction drag is also estimated in the analysis. The perturbation velocities induced by the wing and pylon, fuselage and fanpod, and nacelle are represented by source and vortex lattices, quadrilateral vortices, and source frustums, respectively. The strengths of these singularities are solved for simultaneously including all interference effects. The wing and pylon planforms, twists, cambers, and thickness distributions, and the fuselage and fanpod geometries can be arbitrary in shape, provided the surface gradients are smooth. The flow through nacelle is assumed to be axisymmetric. An axisymmetric center engine hub can also be included. The pylon and nacelle can be attached to the wing, fuselage, or fanpod.

Tulinius, J. R.↗

NASA NTRS1982

Approximate analysis of thermal convection in a crystal-growth cell for Spacelab 3

The transient and steady thermal convection in microgravity is described. The approach is applicable to many three dimensional flows in containers of various shapes with various thermal gradients imposed. The method employs known analytical solutions to two dimensional thermal flows in simpler geometries, and does not require recourse to numerical calculations by computer.

Dressler, R. F.↗

NASA NTRS1982

Analysis of an existing experiment on the interaction of acoustic waves with a laminar boundary layer

The hot-wire anemometer amplitude data contained in the 1977 report of P. J. Shapiro entitled, ""The Influence of Sound Upon Laminar Boundary'' were reevaluated. Because the low-Reynolds number boundary layer disturbance data were misinterpreted, an effort was made to improve the corresponding disturbance growth rate curves. The data are modeled as the sum of upstream and downstream propagating acoustic waves and a wave representing the Tollmien-Schlichting (TS) wave. The amplitude and phase velocity of the latter wave were then adjusted so that the total signal reasonably matched the amplitude and phase angle hot-wire data along the plate laminar boundary layer. The revised rates show growth occurring further upstream than Shapiro found. It appears that the premature growth is due to the adverse pressure gradient created by the shape of the plate. Basic elements of sound propagation in ducts and the experimental and theoretical acoustic-stability literature are reviewed.

Schopper, M. R.↗

NASA NTRS1983

Contouring tunnel walls to achieve free-air flow over a transonic swept wing

The effects of wind-tunnel walls on the flow over a swept wing were greatly reduced by wall contouring. Significant reductions in spanwise pressure gradients were achieved by shaping all of the walls to conform to the streamlines over the model in free air. Surface pressure and oil-flow data were used to evaluate the effects of Mach and Reynolds numbers on the design. Comparisons of these data with inviscid calculations indicate that free-air flow is established at a Mach number of 0.74 and at Reynolds numbers above 4.7 million.

Mateer, G. G.↗

NASA NTRS1988

Laminar flow control is maturing

Recent research demonstrates that laminar flow (LF) can be reliable in flight and that the support system need not be complex. Shaping produces favorable pressure gradients for maintaining natural laminar flow (NLF), and laminar flow control (LFC) techniques such as full chord suction promise a fuel-saving payoff of up to 30 percent on long-range missions. For large aircraft, current research is concentrated on hybrid LFC concepts which combine suction and pressure-gradient control. At NASA Ames, an F-14 with variable wing sweep has been flight tested with smooth surface gloves on the wings; preliminary results indicate high transition Reynolds numbers to sweep angles as large as 25 deg. In addition, a 757 was flight tested with an NLF glove on the right wing just outboard of the engine pylon; and the LF was found to be suprisingly robust.

Wagner, Richard D.↗

NASA NTRS1991

Exploratory study of in-plane streamline curvature effects on a turbulent boundary layer at a Mach number of 3

This report on a program to study in-plane streamline curvature effects in a turbulent boundary layer at a Mach number of 3. The original proposal, for a 3-year program to explore in-plane streamline curvature effects on a supersonic turbulent boundary layer using three-dimensional pressure fields generated by fins and wall geometry, ended after one year. The purpose of these tests was to compare these streamline curvature effects to the more classical two-dimensional curvature generated by wall shape and imposed pressure gradients, previously considered primarily in a plane normal to the floor. The studies were carried out in the Mach number of 3, 8 x 8 inch High Reynolds Number Supersonic Tunnel. The usual surface visualization and mean wall static pressures were supplemented by the use of many small high frequency wall static pressure gauges (Kulites) to get some indication of the amplification of boundary layer disturbances by the in-plane streamline curvature caused by the three-dimensional pressure fields imposed on the boundary layer.

Bogdonoff, Seymour M.↗

DOE OSTI2015

Methods of electrophoretic deposition for functionally graded porous nanostructures and systems thereof

In one embodiment, an aerogel includes a layer of shaped particles having a particle packing density gradient in a thickness direction of the layer, wherein the shaped particles are characterized by being formed in an electrophoretic deposition (EPD) process using an impurity. In another embodiment, a method for forming a functionally graded porous nanostructure includes adding particles of an impurity and a solution to an EPD chamber, applying a voltage difference across the two electrodes of the EPD chamber to create an electric field in the EPD chamber, and depositing the material onto surfaces of the particles of the impurity to form shaped particles of the material. Other functionally graded materials and methods are described according to more embodiments.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Geographic patterns and determinants of antibiotic resistomes in coastal sediments across complex ecological gradients

Coastal areas are highly influenced by terrestrial runoffs and anthropogenic disturbances, commonly leading to ecological gradients from bay, nearshore, to offshore areas. Although the occurrence and distribution of sediment antibiotic resistome are explored in various coastal environments, little information is available regarding geographic patterns and determinants of coastal sediment antibiotic resistomes across ecological gradients at the regional scale. Here, using high-throughput quantitative PCR, we investigated the geographic patterns of 285 antibiotic resistance genes (ARGs) in coastal sediments across a ~ 200 km scale in the East China Sea. Sediment bacterial communities and physicochemical properties were characterized to identify the determinants of sediments antibiotic resistome. Higher richness and abundance of ARGs were detected in the bay samples compared with those in nearshore and offshore samples, and significant negative correlations between the richness and/or abundance of ARGs and the distance to coastline (DTC) were identified, whereas different types of ARGs showed inconsistency in their relationships with DTC. The composition of antibiotic resistome showed significant correlations with nutrition-related variables (including NH 4 + -N, NO 3 − -N, and total phosphorus) and metals/metalloid (including As, Cu, Ni, and Zn), suggesting that terrestrial disturbances largely shape the antibiotic resistome. The Bipartite network showed strong associations between ARGs and mobile genetic elements (MGEs), and Partial Least Squares Path Modeling further revealed that terrestrial disturbance strength (as indicated by DTC) directly affected abiotic environmental conditions and bacterial community composition, and indirectly affected antibiotic resistome via MGEs. These findings provide insights into regional variability of sediment antibiotic resistome and its shaping path across complex ecological gradients, highlighting terrestrial disturbances as determinative forces in shaping coastal sediment antibiotic resistomes.

Xiong, Shangling↗

DOE OSTI2017

Additive manufacturing of complex-shaped graded TiC/steel composites

Complex-shaped TiCx ceramic preforms with a gradient of carbon content in the titanium carbide phase (x changes from 0.7 to 0.98) were fabricated for the first time by Binder jet 3D printing technology. The complex-shaped preforms were infiltrated with molten carbon steel (0.7 wt.%C). Thermodynamic considerations showed that carbon could be transferred from titanium carbide to steel and vice versa according to the initial concentration of carbon (activity) in both phases. After infiltration, solidification and slow cooling, a microstructural gradient was obtained throughout the steel matrix from ferrite, in the region where the steel was in contact with titanium carbide of low carbon content (x=0.7), to pearlite, in the region where the steel underwent interactions with stoichiometric titanium carbide (x=0.98). After annealing at 900°C and quenching in oil, a structural gradient in the steel matrix from ferrite to martensite was obtained, resulting in a hardness gradient of 700-1600 HV. The suggested processing approach allows for fabrication of complex-shaped graded composites with the desired property gradient suitable for a wide range of practical applications.

36 MATERIALS SCIENCE↗

NASA NTRS1989

The development of two-dimensional object identification techniques

This report marks the end of the first year of an anticipated three year effort to study methods for numerically identifying objects according to shape in two dimensions. The method is based upon comparing the unit gradient of an observed object and the unit gradient of a standard object over a specified range of points. The manner in which the gradients are compared forms the basis of a shape recognition scheme, which is then applied to simple closed plane figures. The gradient based method is calibrated by using various distorted objects in comparison with a set of standard reference objects. The use of pattern recognition techniques for computer identification of two-dimensional figures will be investigated during the second and third years of this project.

Lebby, Gary↗

DOE OSTI2021

Numerical assessment of the new V-shape small-angle slot divertor on DIII-D

The small-angle slot (SAS) divertor of the DIII-D tokamak, and its upcoming upgrade, the V-shape small-angle slot (SAS-V) divertor, are numerically investigated using the SOLPS-ITER code package, including the effect of particle drifts, for a range of plasma density, heating power, strike point position in the slot, and for both magnetic field directions. The simulations show that the electron temperature near the strike point is reduced in SAS-V compared to SAS, for both magnetic field directions, such that SAS-V achieves divertor detachment at a lower value of the outboard mid-plane separatrix electron density. The detachment threshold is lower because the V-shape focuses recycling neutrals on the V-end, densifying and cooling the plasma in the slot. At sufficiently high density, the V-shape also reduces the radial gradient of the temperature profile at the target, which in turns reduces the radial electric field and the E x B drift velocities, further densifying and cooling the plasma in the slot and leading to detachment. The V-shape effect, however, is reduced for higher heating power. With more heating power, the detachment density increases, reducing the ionization mean free path of recycled neutrals, which therefore become less sensitive to target shape changes. Furthermore, this suggests that in a fusion reactor, where the heating power is high, optimization of the divertor target shape needs to be combined with other strategies to lower the detachment density, such as in-slot injection of low-Z impurities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1993

Drop dynamics in space and interference with acoustic field (M-15)

The objective of the experiment is to study contactless positioning of liquid drops, excitation of capillary waves on the surface of acoustically levitated liquid drops, and deformation of liquid drops by means of acoustic radiation pressure. Contactless positioning technologies are very important in space materials processing because the melt is processed without contacting the wall of a crucible which can easily contaminate the melt specifically for high melting temperatures and chemically reactive materials. Among the contactless positioning technologies, an acoustic technology is especially important for materials unsusceptible to electromagnetic fields such as glasses and ceramics. The shape of a levitated liquid drop in the weightless condition is determined by its surface tension and the internal and external pressure distribution. If the surface temperature is constant and there exist neither internal nor external pressure perturbations, the levitated liquid drop forms a shape of perfect sphere. If temperature gradients on the surface and internal or external pressure perturbations exist, the liquid drop forms various modes of shapes with proper vibrations. A rotating liquid drop was specifically studied not only as a classical problem of theoretical mechanics to describe the shapes of the planets of the solar system, as well as their arrangement, but it is also more a contemporary problem of modern non-linear mechanics. In the experiment, we are expecting to observe various shapes of a liquid drop such as cocoon, tri-lobed, tetropod, multi-lobed, and doughnut.

Yamanaka, Tatsuo↗