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At least 1,243 records · Page 69

Stability of absorption phenomena in laser-thermal propulsion

The mean flow and stability characteristics of laser absorption phenomena in a choked converging-diverging nozzle are considered. Calculations are presented for a given nozzle geometry and a series of laser intensities. Gas absorptivities corresponding to a hydrogen-cesium mixture are used with different initial temperatures being selected to investigate the effects of changes in the shape of the k-T curve. Both stability and mean flow calculations are limited to the one-dimensional case. The mean flow results show a decrease in mass flow as laser power is increased, along with increasingly steep temperature profiles. Calculations span regions of partial and complete absorption. One region is found where multiple solutions exist. Local stability results indicate the u-c characteristic is the only unstable mode in the unheated case. Laser heat addition makes this mode more unstable and also destabilizes the u-characteristic. Numerical calculations of disturbance propagation show that the instability of the u-c disturbances is counteracted by their reflection to u + c disturbances at the upstream end. The growth of the u-disturbances is localized in regions where the temperature profile is steep and they are damped in other regions. The increasing destabilization that is observed with increased laser power is probably the reason for difficulty in obtaining converged mean flow solutions at high laser intensities.

Merkle, C. L.↗

Second generation spectrograph for the Hubble Space Telescope

The preliminary design for the Space Telescope Imaging Spectrograph (STIS), which has been selected by NASA for definition study for future flight as a second-generation instrument on the Hubble Space Telescope (HST), is presented. STIS is a two-dimensional spectrograph that will operate from 1050 A to 11,000 A at the limiting HST resolution of 0.05 arcsec FWHM, with spectral resolutions of 100, 1200, 20,000, and 100,000 and a maximum field-of-view of 50 x 50 arcsec. Its basic operating modes include echelle model, long slit mode, slitless spectrograph mode, coronographic spectroscopy, photon time-tagging, and direct imaging. Research objectives are active galactic nuclei, the intergalactic medium, global properties of galaxies, the origin of stellar systems, stelalr spectral variability, and spectrographic mapping of solar system processes.

Woodgate, B. E.↗

A two-dimensional air-to-air combat game - Toward an air-combat advisory system

Air-to-air combat is modeled as a discrete differential game, and by constraining the game to searching for the best guidance laws from the sets of those considered for each opponent, feedback and outcome charts are obtained which can be used to turn one of the automatic opponents into an intelligent opponent against a human pilot. A one-on-one two-dimensional fully automatic, or manned versus automatic, air-to-air combat game has been designed which includes both attack and evasion alternatives for both aircraft. Guidance law selection occurs by flooding the initial-condition space with four simulated fights for each initial condition, depicting the various attack/evasion strategies for the two opponents, and recording the outcomes. For each initial condition, the minimax method from differential games is employed to determine the best choice from the available strategies.

Neuman, Frank↗

Coupled multi-disciplinary composites behavior simulation

The capabilities of the computer code CSTEM (Coupled Structural/Thermal/Electro-Magnetic Analysis) are discussed and demonstrated. CSTEM computationally simulates the coupled response of layered multi-material composite structures subjected to simultaneous thermal, structural, vibration, acoustic, and electromagnetic loads and includes the effect of aggressive environments. The composite material behavior and structural response is determined at its various inherent scales: constituents (fiber/matrix), ply, laminate, and structural component. The thermal and mechanical properties of the constituents are considered to be nonlinearly dependent on various parameters such as temperature and moisture. The acoustic and electromagnetic properties also include dependence on vibration and electromagnetic wave frequencies, respectively. The simulation is based on a three dimensional finite element analysis in conjunction with composite mechanics and with structural tailoring codes, and with acoustic and electromagnetic analysis methods. An aircraft engine composite fan blade is selected as a typical structural component to demonstrate the CSTEM capabilities. Results of various coupled multi-disciplinary heat transfer, structural, vibration, acoustic, and electromagnetic analyses for temperature distribution, stress and displacement response, deformed shape, vibration frequencies, mode shapes, acoustic noise, and electromagnetic reflection from the fan blade are discussed for their coupled effects in hot and humid environments. Collectively, these results demonstrate the effectiveness of the CSTEM code in capturing the coupled effects on the various responses of composite structures subjected to simultaneous multiple real-life loads.

Singhal, Surendra N.↗

A supercritical airfoil experiment

The purpose of this investigation is to provide a comprehensive data base for the validation of numerical simulations. The initial results of the study (single angle of attack) were presented in ref. 1, where the effects of various parameters and the adequacies of selected turbulence models were discussed. The objective of the present paper is to provide a tabulation of the experimental data. The data were obtained in the two-dimensional, transonic flowfield surrounding a supercritical airfoil. A variety of flows were studied in which the boundary layer at the trailing edge of the model was either attached or separated. Unsteady flows were avoided by controlling the Mach number and angle of attack. Surface pressures were measured on both the model and wind tunnel walls, and the flowfield surrounding the model was documented using a laser Doppler velocimeter (LDV). Although wall interference could not be completely eliminated, its effect was minimized by employing the following techniques. Sidewall boundary layers were reduced by aspiration, and upper and lower walls were contoured to accommodate the flow around the model and the boundary-layer growth on the tunnel walls. A data base with minimal interference from a tunnel with solid walls provides an ideal basis for evaluating the development of codes for the transonic speed range because the codes can include the wall boundary conditions more precisely than interference corrections can be made to the data sets.

Mateer, George G.↗

Design of Transpiration Cooled Thermal Protection Systems

This study explored three approaches for the utilization of transpiration cooling in thermal protection systems. One model uses an impermeable wall with boiling water heat transfer at the backface (Model I). A second model uses a permeable wall with a boiling water backface and additional heat transfer to the water vapor as it flows in channels toward the exposed surface (Model II). The third model also uses a permeable wall, but maintains a boiling condition at the exposed surface of the material (Model III). The governing equations for the models were developed in non-dimensional form and a comprehensive parametric investigation of the effects of the independent variables on the important dependent variables was performed. In addition, detailed analyses were performed for selected materials to evaluate the practical limitations of the results of the parametric study.

Callens, E. Eugene, Jr.↗

ROM-based Subset Selection Algorithm for Efficient Surrogate Modeling

This summary discusses a new methodology to support the construction of surrogate models for computationally expensive models with many input parameters and output responses. In realistic engineering calculations, such as thermal-hydraulics simulation, the cost of the simulation is typically expensive, especially when detailed models are employed to describe system behavior, thereby justifying the need for surrogate models. The cost of surrogate model construction is typically a function of the number of model parameters and the degree of model nonlinearity. For sufficiently complex models, the cost of constructing the surrogate model could be by itself overwhelmingly expensive, thereby diminishing its value. One key requirement of surrogate model construction is the ability to preselect the best parametric form to describe the model behavior over the expected range of parameter variations. This summary presents a new algorithm to help select the best approximation out of a template of functions using recent advances in reduced order modeling (ROM) techniques. The idea of selecting functions out of a template is typically referred to as subset selection in the statistical and applied mathematics community. Different from existing subset selection algorithms, we rely on ROM to help identify the most influential functions for the surrogate model. Previous work has shown that ROM can help reduce the effective dimensionality of the parameter space, which can help reduce the cost of surrogate model construction. In this summary, we adopt a different philosophy, where the fitting functions are treated as pseudo parameters and ROM is applied on the pseudo parameter space, with the result now being a ranked list of the pseudo parameters along with their contribution to the quality of the surrogate model fit. This approach allows the analyst to discard all terms that have negligible impact on the quantity of interest. A relap5 model is employed to demonstrate the application of the proposed methodology. (authors)

42 ENGINEERING↗

Compressive Sensing with Cross-Validation and Stop-Sampling for Sparse Polynomial Chaos Expansions

Here, compressive sensing is a powerful technique for recovering sparse solutions of underdetermined linear systems, which is often encountered in uncertainty quantification analysis of expensive and high-dimensional physical models. We perform numerical investigations employing several compressive sensing solvers that target the unconstrained LASSO formulation, with a focus on linear systems that arise in the construction of polynomial chaos expansions. With core solvers l1_ls, SpaRSA, CGIST, FPC_AS, and ADMM, we develop techniques to mitigate overfitting through an automated selection of regularization constant based on cross-validation, and a heuristic strategy to guide the stop-sampling decision. Practical recommendations on parameter settings for these techniques are provided and discussed. The overall method is applied to a series of numerical examples of increasing complexity, including large eddy simulations of supersonic turbulent jet-in-crossflow involving a 24-dimensional input. Through empirical phase-transition diagrams and convergence plots, we illustrate sparse recovery performance under structures induced by polynomial chaos, accuracy, and computational trade-offs between polynomial bases of different degrees, and practicability of conducting compressive sensing for a realistic, high-dimensional physical application. Across test cases studied in this paper, we find ADMM to have demonstrated empirical advantages through consistent lower errors and faster computational times.

97 MATHEMATICS AND COMPUTING↗

Metal-containing photopolymer resins generated by reduction of dissolved metal salts

According to one embodiment, a three-dimensional structure includes: at least one photopolymer having at least one metal dispersed throughout at least portions of a bulk of the structure. The structure is characterized by features having a horizontal and/or vertical feature resolution in a range from several hundred nanometers to several hundred microns. The portions of the bulk throughout which metal is dispersed may optionally be selectively determined. In more embodiments, the structure may have electroless plated metal formed on surfaces thereof, alternatively or in addition to the metal dispersed throughout the bulk of the structure. The electroless plating may be achieved without the use of a surface activation bath. Corresponding methods for forming various embodiments of such three dimensional structures are also disclosed.

36 MATERIALS SCIENCE↗

Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide

Five functional coordination polymers (formic-based CPs) namely: ([Cu{sub 2}(CHOO){sub 3}(bibp){sub 2}]·CHOO){sub n} (1), ([Co{sub 2}(CHOO){sub 3}(bibp){sub 2}]·NO{sub 3}·H{sub 2}O)n (2), ([Ni{sub 2}(CHOO){sub 3}(bibp){sub 2}]·NO{sub 3}·H{sub 2}O){sub n} (3) [Co(CHOO){sub 2}(bbibp)]{sub n} (4) and [Zn(CHOO){sub 2}(bbibp)]{sub n} (5) (bibp=4,4′-bis(imidazolyl)biphenyl, bbibp=4,4′-bis(benzoimidazo-1-yl)biphenyl) have been successfully hydrothermally synthesized using the in-situ hydrolysis of N, N′-dimethylformamide (DMF) as the source of formate. All of these five polymers were characterized by single-crystal X-ray diffraction, elemental analysis, IR spectra, powder X-ray diffraction (PXRD), and thermogravimetric (TG) analysis. Complexes 1–3 have the similar three-dimensional 3D kag topological framework built from the bibp ligand as the support member between the neighboring formic planes. Both complexes 4 and 5 have the similar one-dimensional 1D linear chain which is further assembled into 3D supermolecular structure by C–H…O hydrogen bonds. The dyes adsorption experiments have also been investigated systematically. The results show that complexes 2 and 3 exhibit high selective adsorption ability towards anionic dyes in their aqueous solution. Moreover, complex 2 displays good reversibility in the process of the dyes adsorption-release. Meanwhile, the unusual blocking phenomenon was firstly observed when complex 2 was in MO/OIV aqueous solutions with different concentration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Equilibration of Imine-Linked Polymers to Hexagonal Macrocycles Driven by Self-Assembly

Macrocyclesbased on directional bonding and dynamic covalentbond exchange can be design ed with specificpore shapes, sizes, andfunctionality.These sys- tems retain many of the design criteria and desirableas- pects of two-dimensional (2D) covalent organic frame- works (COFs)but are more easily processed. Here we access discrete hexagonal imine-linked macrocycles by condensing atruncated analogueof1,3,5-tris(4-aminophe- nyl)benzene(TAPB) with terephthaldehyde (PDA). The monomers first condense into polymers buteventually convertinto hexagonal macrocycles in high yield. The high selectivity for hexagonal macrocycles is enforcedby their aggregation and crystallization into layered struc- tures with more sluggish imine exchange. Their formation and exchange processes provide new insight into how imine-linked 2D COF simultaneously polymerize and crys- tallize. Solutions of theseassembled macrocycles were cast into oriented, crystalline films, expanding the poten- tial routes to 2D materials.

covalent organic frameworks↗

Absence of Dobrushin States for 2d Long-Range Ising Models

We consider the two-dimensional Ising model with long-range pair interactions of the form J{sub xy}∼|x−y|{sup −α} with α>2, mostly when J{sub xy}≥0. We show that Dobrushin states (i.e. extremal non-translation-invariant Gibbs states selected by mixed ± boundary conditions) do not exist. We discuss possible extensions of this result in the direction of the Aizenman–Higuchi theorem, or concerning fluctuations of interfaces. We also mention the existence of rigid interfaces in two long-range anisotropic contexts.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A predictive machine learning approach for microstructure optimization and materials design

This paper addresses an important materials engineering question: How can one identify the complete space (or as much of it as possible) of microstructures that are theoretically predicted to yield the desired combination of properties demanded by a selected application? We present a problem involving design of magnetoelastic Fe-Ga alloy microstructure for enhanced elastic, plastic and magnetostrictive properties. While theoretical models for computing properties given the microstructure are known for this alloy, inversion of these relationships to obtain microstructures that lead to desired properties is challenging, primarily due to the high dimensionality of microstructure space, multi-objective design requirement and non-uniqueness of solutions. These challenges render traditional search-based optimization methods incompetent in terms of both searching efficiency and result optimality. In this paper, a route to address these challenges using a machine learning methodology is proposed. A systematic framework consisting of random data generation, feature selection and classification algorithms is developed. In conclusion, experiments with five design problems that involve identification of microstructures that satisfy both linear and nonlinear property constraints show that our framework outperforms traditional optimization methods with the average running time reduced by as much as 80% and with optimality that would not be achieved otherwise.

36 MATERIALS SCIENCE↗

Prediction of exotic magnetic states in the alkali-metal quasi-one-dimensional iron selenide compound Na 2 FeSe 2

The magnetic and electronic phase diagram of a model for the quasi-one-dimensional alkali-metal iron selenide compound Na 2 FeSe 2 is presented. The novelty of this material is that the valence of iron is Fe 2+ , contrary to most other iron-chain compounds with valence Fe 3+ . Using first-principles techniques, we developed a three-orbital tight-binding model that reproduces the ab initio band structure near the Fermi level. Including Hubbard and Hund couplings and studying the model via the density-matrix renormalization group and Lanczos methods, we constructed the ground-state phase diagram. A robust region where the block state ↑↑↓↓↑↑↓↓ is stabilized was unveiled. The analog state in iron ladders, employing 2×2 ferromagnetic blocks, is by now well established, but in chains a block magnetic order has not been observed yet in real materials. The phase diagram also contains a large region of canonical staggered spin order ↑↓↑↓↑↓↑ at very large Hubbard repulsion. At the block-to-staggered transition region, an exotic phase is stabilized with a mixture of both states: an inhomogeneous orbital-selective charge density wave with the exotic spin configuration ↑↑↓↑↓↓↑↓. Our predictions for Na 2 FeSe 2 may guide crystal growers and neutron-scattering experimentalists towards the realization of block states in one-dimensional iron selenide chain materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The JLAB 3D program at 12 GeV (TMDs + GPDs)

The Jefferson Lab CEBAF accelerator is undergoing an upgrade that will increase the beam energy up to 12 GeV. The three experimental Halls operating in the 6-GeV era are upgrading their detectors to adapt their performances to the new available kinematics, and a new Hall (D) is being built. The investigation of the three-dimensional nucleon structure both in the coordinate and in the momentum space represents an essential part of the 12-GeV physics program, and several proposals aiming at the extraction of related observables have been already approved in Hall A, B and C. In this proceedings, the focus of the JLab 3D program will be described, and a selection of proposals will be discussed.

43 PARTICLE ACCELERATORS↗

Microbiome-enabled genomic selection improves prediction accuracy for nitrogen-related traits in maize

Root-associated microbiomes in the rhizosphere (rhizobiomes) are increasingly known to play an important role in nutrient acquisition, stress tolerance, and disease resistance of plants. However, it remains largely unclear to what extent these rhizobiomes contribute to trait variation for different genotypes and if their inclusion in the genomic selection protocol can enhance prediction accuracy. To address these questions, we developed a microbiome-enabled genomic selection method that incorporated host SNPs and amplicon sequence variants from plant rhizobiomes in a maize diversity panel under high and low nitrogen (N) field conditions. Our cross-validation results showed that the microbiome-enabled genomic selection model significantly outperformed the conventional genomic selection model for nearly all time-series traits related to plant growth and N responses, with an average relative improvement of 3.7%. The improvement was more pronounced under low N conditions (8.4–40.2% of relative improvement), consistent with the view that some beneficial microbes can enhance N nutrient uptake, particularly in low N fields. However, our study could not definitively rule out the possibility that the observed improvement is partially due to the amplicon sequence variants being influenced by microenvironments. Using a high-dimensional mediation analysis method, our study has also identified microbial mediators that establish a link between plant genotype and phenotype. Some of the detected mediator microbes were previously reported to promote plant growth. The enhanced prediction accuracy of the microbiome-enabled genomic selection models, demonstrated in a single environment, serves as a proof-of-concept for the potential application of microbiome-enabled plant breeding for sustainable agriculture.

60 APPLIED LIFE SCIENCES↗

Catalytic Chemistry on Oxide Nanostructures

Metal oxides represent one of the most important and widely employed materials in catalysis. Extreme variability of their chemistry provides a unique opportunity to tune their properties and to utilize them for the design of highly active and selective catalysts. For bulk oxides, this can be achieved by varying their stoichiometry, phase, exposed surface facets, defect, dopant densities and numerous other ways. Further, distinct properties from those of bulk oxides can be attained by restricting the oxide dimensionality and preparing them in the form of ultrathin films and nanoclusters as discussed throughout this book. In this chapter we focus on demonstrating such unique catalytic properties brought by the oxide nanoscaling. In the highlighted studies planar models are carefully designed to achieve minimal dispersion of structural motifs and to attain detailed mechanistic understanding of targeted chemical transformations. Detailed level of morphological and structural characterization necessary to achieve this goal is accomplished by employing both high-resolution imaging via scanning probe methods and ensemble-averaged surface sensitive spectroscopic methods. Three prototypical examples illustrating different properties of nanoscaled oxides in different classes of reactions are selected.

Asthagiri, Aravind↗

Orbit Design Based on the Global Maps of Telecom Metrics

In this paper we describe an orbit design aide tool, called Telecom Orbit Analysis and Simulation Tool(TOAST). Although it can be used for studying and selecting orbits for any planet, we solely concentrate on its use for Mars. By specifying the six orbital elements for an orbit, a time frame of interest, a horizon mask angle, and some telecom parameters such as the transmitting power, frequency, antenna gains, antenna losses, link margin, received threshold powers for the rates, etc. this tool enables the user to view the animation of the orbit in two and three-dimensional different telecom metrics at any point on the Mars, namely the global planetary map.

Mars orbiter↗