Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Limit Branch”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 595 records · Page 33

Limitations and improvements of one-dimensional beam dynamics

The static and dynamic behavior limitations of 1D beam modeling are discussed, with a view to the prediction of high frequency vibrations. A methodology is suggested whereby the construction of 3D dispersion curves is followed by the incorporation of asymptotical considerations to calculate the lowest high-frequency branches of the long-wave vibrations, as well as some short-wave vibrations. A comparison of the two will then yield the constraints for the one-dimensional composite beam modeling of both dynamic and static applications.

Atilgan, Ali R.↗

Hot bottom burning in asymptotic giant branch stars and its effect on oxygen isotopic abundances

A self-consistent calculation of asymptotic giant branch (AGB) evolution was carried out, including nucleosynthesis at the base of the convective envelope (hot bottom burning). Hot bottom burning was found to occur for stars between approximately 4.5 and approximately 7 solar mass, producing envelopes with O-18/O-16 less than or equal to 10(exp -6) and 10(exp -3) approximately less than or equal O-17/O-16 approximately less than or equal to 10(exp -1). The O-17 abundance depends sensitively on the nuclear O-17-destruction rate; this rate is only loosely constrained by the requirement that first and second dredge-up models match O-isotope observations of red giant branch (RGB) stars (Boothroyd, Sackmann, & Wasserburg 1994). In some cases, high mass-loss rates can terminate hot bottom burning before further O-17 enrichment takes place or even before all O-18 is destroyed. These predictions are in accord with the very limited stellar observations of J type carbon stars on the AGB and with some of the circumstellar Al2O3 grains from meteorites. In contrast, precise data from a number of grains and data from most low-mass S and C AGB stars (approximately less than 1.7 solar mass) lie in a region of the O-18/O-16 versus O-17/O-16 diagram that is not accessible by first and second dredge-up or by hot bottom burning. We conclude that for AGB stars, the standard models of stellar evolution are not in accord with these observations. We surmise that an additional mixing mechanism must exist that transports material from the cool bottom of the stellar convective envelope to a depth at which O-18 is destroyed. This 'cool bottom processing' mechanism on the AGB is similar to extra mixing mechanisms proposed to explain the excess C-13 (and depleted C-12) observed in the earlier RGB stage of evolution and the large Li-7 depletion observed in low-mass main-sequence stars.

Boothroyd, Arnold I.↗

Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis

Large scale implementation of high level computational theoretical chemical kinetics offers the prospect for dramatically improving the fidelity of combustion chemical modeling. To facilitate such efforts, we have developed a suite of codes, collectively referred to as AutoMech, that allow for the automatic prediction of the kinetics for large sets of reactions via ab initio transition-state-theory based master-equation calculations. The primary input is simply the mechanism, a dictionary relating chemically identifiable species descriptors (e.g., SMILES or InChIs) to species labels in the mechanism, and a specification of the electronic structure and transition state theory models to be implemented. Here we illustrate the current utility of AutoMech through a study of the initial stages of pyrolysis for 3 sets of fuels: sequences of alkanes, alcohols, and aldehydes. For simplicity, the analysis focuses on abstractions from the fuel by H, CH 3 , and OH, and the decomposition of the resulting radicals. Altogether, there are a total of 166 input channels in these sets (more than 363 forward reactions when expanded to the full set of elementary reactions). The code successfully produces high quality rate estimates (with apparent uncertainties less than a factor of two in limited comparisons with experiment) for > 95% of these. For the radical decomposition reactions, the analysis includes predictions for the pressure dependence of the kinetics. This wide-ranging exploration illustrates (i) the effect of different levels of prediction on the expected accuracy, (ii) the branching between abstractions at different sites for different abstractors, (iii) the dependence of the rates on the chemical structure, and (iv) the variation in radical stabilities across chemical families. These results, as well as the demonstrated feasibility of the methodology, should find further utility in the development of accurate rate expressions for arbitrary fuels. (c) 2020 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Elliott, Sarah N.↗

Theoretical study of the reaction mechanism and kinetics of the phenyl + propargyl association

Potential energy surface for the phenyl + propargyl radical recombination reaction has been studied at the CCSD(T)-F12/cc-pVTZ-f12//B3LYP/6-311G** level of theory for the closed-shell singlet species and at the triplet–singlet gap CASPT2/cc-pVTZ-CCSD(T)-F12/cc-pVTZ-f12//CASSCF/cc-pVTZ level of theory for the diradical species. High-pressure limit rate constants for the barrierless channels were evaluated with variable reaction coordinate transition state theory (VRC-TST). Rice–Ramsperger–Kassel–Marcus Master Equation (RRKM-ME) calculations have been performed to assess temperature- and pressure-dependent phenomenological rate constants and product branching ratios. Here, the entrance channels of the radical association reaction produce 3-phenyl-1-propyne and phenylallene which can further dissociate/isomerize into a variety of unimolecular and bimolecular products. Theoretical evidence is presented that, at combustion relevant conditions, the phenyl + propargyl recombination provides a feasible mechanism for the addition of a second five-member ring to the first six-member aromatic ring producing the prototype two-ring species indene and indenyl. Rate expressions for all important reaction channels in a broad range of temperatures and pressures have been generated for kinetic modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Formaldehyde reactions in dark clouds

The low-pressure reactions of formaldehyde (H2CO) with D(+), D2(+), D3(+), and He(+) are studied by the ion-cyclotron resonance technique. These reactions are potential loss processes for formaldehyde in cores of dark interstellar clouds. The deuterated reactants represent direct analogs for protons. Rate coefficients and branching ratios of product channels have been measured. Charge transfer is observed to be the dominant reaction of H2CO with D(+), D2(+), and He(+) ions. Only the D3(+) reaction exhibits a proton-transfer channel. All reactions proceed at rate coefficients near the collision limit. Proton-deuteron exchange reactions are found to be inefficient processes in the formaldehyde system.

Sen, A. D.↗

Extinction of the Stagnation Point Diffusion Flame: Effect of Conductive Heat Loss into Solid Interior

The flammability boundary of a solid is U-shaped with the ordinate as ambient oxygen percentage (or total pressure) and the abscissa represents flow velocity, gravity level, stretch rate, etc. The left side of the flammability boundary is the quenching branch, and the right side is the blow-off branch. Quenching is due to a weak flame whose heat release from combustion cannot overcome the excessive heat losses from, for example, radiation. Blow-off is due to a short gas residence time that is smaller than the chemical reaction time (traditionally referred to as the small Damköhler number effect). For thick solids, the heat conduction into the solid interior has a long transient after ignition before the solid temperature reaches the steady state. During this slow transient, there is excessive (i.e. more than that at the steady state) gas phase heat conduction into the solid interior. From the viewpoint of the quasi-static gaseous flame, this is an additional heat loss that will affect the gas flame's flammability. In this work, a previously developed one-dimensional axisymmetric stagnation-point diffusion flame model is extended to account for the excessive heat loss into the solid beyond the steady burning state. A non-dimensional excessive conductive heat loss parameter Ψ is defined in the paper to account for the transient solid effect. For each Ψ, the gas phase is considered reaching a quasi-steady state. Extensive numerical computations have been performed to determine the extinction boundary and the characteristics of near-limit flames. The U-shaped flammability boundary is now a series of boundaries with Ψ as a parameter. Flame structures under the same environment condition but with different Ψ are compared. For a given oxygen ambient, the extinction boundary Ψ vs stretch rate is an inverted U-shape. The boundary consists of a blowoff branch and a radiative quenching branch. Extensive computed data including flame and pyrolysis temperatures, burning rate, flame standoff distance, species concentration, and reaction rate are presented along the extinction boundaries. Heat balance analysis is performed for both the gas phase and the gas-solid interface. Along the extinction boundary, the relative importance of conduction, convection, radiation, and chemical reaction are analyzed in detail.

Stagnation point diffusion flame↗

Fractal analysis on Ag 2 O thin film using a data-driven approach

The synthesis of fractal Ag oxide (Ag 2 O) on the surface of Ag thin film has been achieved at room temperature by using Synchrotron X-ray irradiation. We have performed an automated quantitative analysis of a batch of 1879 fractal Ag 2 O patterns in a scanning electron microscopy (SEM) image within a radius of 2000 mm outward from the center of the X-ray beam. The morphology is similar to that of the diffusion-limited cluster aggregation (DLCA) model. The fractal dimension (D) of Ag 2 O is between 1.7 and 1.5 from the center to the edge. The area distribution density of fractal Ag 2 O follows a quadratic function with radius R. It is found that the branches’ number of fractal Ag 2 O is a key factor affecting the fractal dimension. The more branches the fractal has, the greater the D is. This is the first time that Ag fractal has been investigated by combining automated data analysis methods with batch experimental data. This data-driven approach provides a new research perspective for rationally regulating materials’ fractal morphology and performance.

36 MATERIALS SCIENCE↗

Advanced Method Optimization for Sampling and Analysis Instrumentation

This work presents a generalized approach for analytical method optimization that branches the gap between techniques historically employed and accurate modern optimization techniques suitable for various applications. The novelty of the described strategy is the utilization of multivariate, multiobjective optimization with Karush-Kuhn-Tucker conditions to bound the optimization space to solutions within the physical limitations of instrumentation. Briefly, the basic steps outlined in this paper are to (1) determine the objective(s) that should be maximized or minimized based on the goals of the analytical application, (2) conduct a screening experiment, (3) perform ANOVA to determine the parameters which have a statistically significant effect on the objective, (4) conduct an experiment (e.g., Box-Behnken design) to collect data for fitting the objective equation, and (5) determine the physical constraints of the parameters and solve the Lagrangian to determine the optimal method parameters. A broad approach to optimization target selection allows for robust method tuning to develop improved data sets amenable for chemometrics and machine learning algorithm development. Gas chromatography-mass spectrometry was selected as a use case due to its broad use across scientific fields and time-consuming method development involving numerous parameters. In conclusion, this strategy can reduce the cost of research, improve data quality, and enable the rapid development of new analytical technique.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Infrared spectroscopic measurements relevant to atmospheric remote sensing

SF6 is a synthetic chemical which is used in many industrial applications and as a meteorological tracer. This paper describes determinations of spectral absorption coefficients k-nu of SF6 measured in the central Q-branches of the nu(3)-fundamental at 947/cm at various temperature-pressure combinations representing tangent heights in solar-occultation experiments or layers in the atmosphere. Spectral data were also obtained for C2H4 and NH3 fundamental bands. Measurements were made with the Doppler-limited spectral resolution of a tunable diode laser spectrometer with a cryogenically cooled absorption cell, described by Varanasi and Chudamani (1992).

Varanasi, Prasad↗

Distributed Scheduling Architecture for Multi-Center Time-Based Metering

The Traffic Management Advisor (TMA) is an air traffic control automation system currently in use in seven Air Route Traffic Control Centers (ARTCCs) to enable time based metering to busy airports within their airspace. However, this system is limited to operation within a single ARTCC, within about a 200 nautical mile radius of the airport, and on relatively simple streams of traffic. The need for coordinated metering within a greater (300+ nautical mile) radius of an airport, on streams of traffic with significant branching, and across ARTCC boundaries, has been identified. Early tests revealed that TMA could not simply be scaled up to handle such a problem. Instead, a loosely coupled hierarchy of schedules, in which constraints from downstream schedules are passed upstream, is required. Such an architecture reduces the reliance on distant projections of arrival times, making schedules robust to changes in sequence and to additions of aircraft (such as aircraft departing inside the system s scheduling horizon). This architecture is also scaleable, easily reconfigurable, and can be networked together. As such, it can be adapted for use in any size or configuration of airspace and with any number of airports delivering restrictions. An implementation of this distributed scheduling architecture is currently undergoing testing in the TMA-Multi Center system. This paper describes the architecture and its motivation.

Landry, Steven↗

Physics-informed graphical neural network for power system state estimation

State estimation is highly critical for accurately observing the dynamic behavior of the power grids and minimizing risks from cyber threats. However, existing state estimation methods encounter challenges in accurately capturing power system dynamics, primarily because of limitations in encoding the grid topology and sparse measurements. Here, this paper proposes a physics-informed graphical learning state estimation method to address these limitations by leveraging both domain physical knowledge and a graph neural network (GNN). We employ a GNN architecture that can handle the graph-structured data of power systems more effectively than traditional data-driven methods. The physics-based knowledge is constructed from the branch current formulation, making the approach adaptable to both transmission and distribution systems. The validation results of three IEEE test systems show that the proposed method can achieve lower mean square error more than 20% than the conventional methods.

43 PARTICLE ACCELERATORS↗

Study of the lineshape of X ( 3872 ) using B decays to D 0 D ¯ * 0 K

We present a study of the X⁡(3872) lineshape in the decay B →X(3872)⁢K →D 0 $\overline{D}$ *0 ⁢K using a data sample of 772 ×10 6 B$\overline{B}$ pairs collected at the Y⁡(4⁢S) resonance with the Belle detector at the KEKB asymmetric-energy e +⁢ e - collider. The peak near the threshold in the D 0 $\overline{D}$ *0 invariant mass spectrum is fitted using a relativistic Breit-Wigner lineshape. We determine the mass and width parameters to be m BW =3873.7⁢1$^{+0.56}_{-0.50⁢}$(stat) ±0.13⁢(syst) MeV/c 2 and Γ BW =5.2$^{+2.2}_{-1.5}$⁢(stat) ±0.4⁢(syst) MeV, respectively. The branching fraction is found to be $\mathscr{B}$⁡(B + → X⁡(3872)⁢K + ) × $\mathscr{B}$⁡(X⁡(3872) → D 0 $\overline{D}$ *0 ) = (0.9⁢7$^{+0.21}_{-0.18}$⁢(stat) ± 0.10⁢(syst)) ×10 -4 . The signal from B 0 decays is observed for the first time with 5.2σ significance, and the ratio of branching fractions between charged and neutral B decays is measured to be $\mathscr{B}$(B 0 → X⁡(3872)⁢K 0 )/$\mathscr{B}$⁡(B + →X⁡(3872)⁢K + ) =1.34$^{+0.47}_{-0.40}$⁢(stat) $^{+0.10}_{-0.12}$⁢(syst). The peak is also studied using a Flatté lineshape. We determine the lower limit on the D 0 $\overline{D}$ * coupling constant g to be 0.075 at 95% credibility in the parameter region where the ratio of g to the mass difference from the D 0 $\overline{D}$ *0 threshold is equal to -15.11 GeV -1 , as measured by LHCb.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Microbiome Variation Across Two Hemlock Species With Hemlock Woolly Adelgid Infestation

The hemlock woolly adelgid ( Adelges tsugae , HWA), an invasive insect, is devastating native hemlock populations in eastern North America, and management outcomes have so far had limited success. While many plant microbiomes influence and even support plant immune responses to insect herbivory, relatively little is known about the hemlock microbiome and its interactions with pathogens or herbivores such as HWA. Using 16S rRNA and ITS gene amplicon sequencing, we characterized the needle, branch, root, and rhizosphere microbiome of two hemlock species, Tsuga canadensis and T. sieboldii , that displayed low and high levels of HWA populations. We found that both archaeal/bacterial and fungal needle communities, as well as the archaeal/bacterial branch and root communities, varied in composition in both hemlock species relative to HWA population levels. While host species and plant-associated habitats explained a greater proportion of the variance in the microbiome than did HWA population level, high HWA populations were associated with enrichment of 100 likely fungal pathogen sequence variants across the four plant-associated habitats (e.g., needle, branch, root, rhizosphere) compared to trees with lower HWA populations. This work contributes to a growing body of literature linking plant pathogens and pests with the changes in the associated plant microbiome and host health. Furthermore, this work demonstrates the need to further investigate plant microbiome effects across multiple plant tissues to understand their influences on host health.

16S rRNA↗

Trace Metal Dynamics and Limitations on Biogeochemical Cycling in Wetland Soils and Hyporheic Zones

Biogeochemical cycling in subsurface aquatic systems is driven by anaerobic microbial processes that employ metalloenzymes. Pure culture studies reveal that low availability of trace metals may inhibit methanogenesis, mercury methylation, and reduction of N 2 O to N 2 during denitrification. However, whether such limitations occur in natural subsurface aquatic systems is currently unclear. This project sought to establish mechanistic links between trace metal availability and biogeochemical transformations in subsurface systems. Integrated field and laboratory studies of trace metal availability and biogeochemical processes were conducted in riparian wetlands in the Tims Branch watershed at the Savannah River Site, marsh wetlands at Argonne National Laboratory, and the streambed of East Fork Poplar Creek at Oak Ridge National Laboratory, with supplemental work with wetland soils from sites in Missouri and Florida.

54 ENVIRONMENTAL SCIENCES↗

High Bio-Content Thermoplastic Polyurethanes from Azelaic Acid

To realize the commercialization of sustainable materials, new polymers must be generated and systematically evaluated for material characteristics and end-of-life treatment. Polyester polyols made from renewable monomers have found limited adoption in thermoplastic polyurethane (TPU) applications, and their broad adoption in manufacturing may be possible with a more detailed understanding of their structure and properties. To this end, we prepared a series of bio-based crystalline and amorphous polyester polyols utilizing azelaic acid and varying branched or non-branched diols. The prepared polyols showed viscosities in the range of 504–781 cP at 70 °C, with resulting TPUs that displayed excellent thermal and mechanical properties. TPUs prepared from crystalline azelate polyester polyol exhibited excellent mechanical properties compared to TPUs prepared from amorphous polyols. These were used to demonstrate prototype products, such as watch bands and cup-shaped forms. Importantly, the prepared TPUs had up to 85% bio-carbon content. Studies such as these will be important for the development of renewable materials that display mechanical properties suitable for commercially viable, sustainable products.

59 BASIC BIOLOGICAL SCIENCES↗

A Mixed Integer Efficient Global Optimization Algorithm with Multiple Infill Strategy - Applied to a Wing Topology Optimization Problem

With the advancement in high performance computing and numerical optimization techniques,engineering design optimization problems are becoming more complex, larger scale,higher fidelity, and computationally more demanding, requiring longer run times than ever before. There exists methodologies and techniques that can address some of these challenges but very few can address all, and most are limited in the extent that these concerns can be addressed. With the goal of addressing such challenging engineering problems, we developed anew optimization framework, named AMIEGO, that combines concepts from surrogate-based optimization approaches, gradient-based numerical methods, Partial Least Squares, evolutionary algorithms, and Branch-and-Bound, providing newer capabilities that were not previouslyperceived. However, the original version of this framework, in the process of adaptive samplingto explore and exploit the design space, finds only a single sample point per iteration. The efforthere builds upon this previously developed optimization framework to include multiple infillsampling capability that combines the concept of generalized expected improvement function,unsupervised learning, and multi-objective evolutionary technique. To demonstrate, AMIEGOwith the multiple infill capability (called AMIEGO-MIMOS) solves a series of increasingly difficultengineering design optimization problems. The results reveal the performance of the newapproach is problem dependent. When applied to a ten-bar truss problem, the newly proposedmultiple infill strategy consistently leads to a better design solutions when compared to theexisting CPTV method (implemented with the context of the AMIEGO framework). On theother hand, when applied to a mixed-integer high fidelity wing topology optimization problem- MIMOS, despite showing a steeper convergence at the start, eventually leads to an inferiorsolution as compared to CPTV approach. These results also reveal that a small number ofstarting points, in general, are sufficient to lead to a good overall solution.

Mixed-integer optimization↗

Adaptive nonequilibrium design of actin-based metamaterials: Fundamental and practical limits of control

The adaptive and surprising emergent properties of biological materials self-assembled in far-from-equilibrium environments serve as an inspiration for efforts to design nanomaterials. In particular, controlling the conditions of self-assembly can modulate material properties, but there is no systematic understanding of either how to parameterize external control or how controllable a given material can be. Here, we demonstrate that branched actin networks can be encoded with metamaterial properties by dynamically controlling the applied force under which they grow and that the protocols can be selected using multi-task reinforcement learning. These actin networks have tunable responses over a large dynamic range depending on the chosen external protocol, providing a pathway to encoding “memory” within these structures. Interestingly, we obtain a bound that relates the dissipation rate and the rate of “encoding” that gives insight into the constraints on control—both physical and information theoretical. Taken together, these results emphasize the utility and necessity of nonequilibrium control for designing self-assembled nanostructures.

59 BASIC BIOLOGICAL SCIENCES↗

Annual Herbaceous Plants Exhibit Altered Morphological Traits in Response to Altered Precipitation and Drought Patterns in Semiarid Sandy Grassland, Northern China

The frequency and intensity of extreme precipitation events and severe drought are predicted to increase in semiarid areas due to global climate change. Plant morphological traits can reflect plant responses to a changing environment, such as altered precipitation or drought patterns. In this study, we examined the response of morphological traits of root, stem, leaf and reproduction meristems of annual herbaceous species to altered precipitation and drought patterns in a semiarid sandy grassland. The study involved a control treatment (100% of background precipitation) and the following six altered precipitation treatments: (1) P(+): precipitation increased by 30%, (2) P(++): precipitation increased by 60%, (3) P(-): precipitation decreased by 30%, (4) P(--): precipitation decreased by 60%, (5) drought 1 (D1): 46-day drought from May 1st to June 15th, and (6) drought 2 (D2): 46-day drought from July 1st to August 15th. P(++) significantly increased root length, flower length-to-width ratio, both P(+) and P(++) significantly increased stem length and flower number in the plant growing seasons, while all of them decreased under P(-) and P(--). The annual herbaceous plants marginally increased the number of second-level stem branches and stem diameter in order to better resist the severe drought stress under P(--). P(+) and P(++) increased the root, stem, leaf, and flower dry weight, with the flower dry weight accounting for a larger proportion than the other aboveground parts. Under D2, the plants used the limited water resources more efficiently by increasing the root-to-shoot ratio compared with P(-), P(--) and D1, which reflects biomass allocation to belowground increased. The linear mixed-effects models and redundancy analysis showed that the root-to-shoot ratio and the dry weight of various plant components were significantly affected by morphological traits and altered precipitation magnitude. Our results showed that the herbaceous species have evolved morphological trait responses that allow them to adapt to climate change. Such differences in morphological traits may ultimately affect the growing patterns of annual herbaceous species, enhancing their drought-tolerant capacity in semiarid sandy grassland during the ongoing climate change.

Sun, Shan-Shan↗