Numerical studies of transient opposed-flow flames using adaptive time integration

Numerical simulations of unsteady opposed-flow flames are performed using an adaptive time integration method designed for differential-algebraic systems. The compressibility effect is considered in deriving the system of equations, such that the numerical difficulties associated with a high-index system are alleviated. The numerical method is implemented for systems with detailed chemical mechanisms and transport properties by utilizing the Chemkin software. Two test simulations are performeds hydrogen/air diffusion flames with an oscillatory strain rate and transient ignition of methane against heated air. Both results show that the rapid transient behavior is successfully captured by the numerical method.     

A mathematical study on a unified variational principle with two constrained parameters

In this paper, a parameterized variational principle based on a mixed functional obtained by a linear combination of the total potential energy functional, the modified Hellinger-Reissner functional, and the Hu-Washizu functional with two constrained parameters is proposed, and the mathematical characteristics of the variational equation of the principle are investigated for the analysis of boundary value problems in linear elasticity. It is first proved that the Euler-Lagrange equations of the variational equation is identical to the governing equations for the given problem. Then existence of the unique solution of the variational equation is systematically proved by showing that the energy bilinear form is weakly-coercive. As an application, the stress/strain smoothing can be obtained as a form of mixed FEM based on the variational equation.     

Efficient solving methods exploiting sparsity of matrix in real-time multibody dynamic simulation with relative coordinate formulation

In this paper, new methods for efficiently solving linear acceleration equations of multibody dynamic simulation exploiting sparsity for real-time simulation are presented. The coefficient matrix of the equations tends to have a large number of zero entries according to the relative joint coordinate numbering. By adequate joint coordinate numbering, the matrix has minimum off-diagonal terms and a block pattern of non-zero entries and can be solved efficiently. The proposed methods, using sparse Cholesky method and recursive block mass matrix method, take advantages of both the special structure and the sparsity of the coefficient matrix to reduce computation time. The first method solves thenxn sparse coefficient matrix for the accelerations, wheren denotes the number of relative coordinates. In the second method, for vehicle dynamic simulation, simple manipulations bring the original problem of dimensionnxn to an equivalent problem of dimension 6×6 to be solved for the accelerations of a vehicle chassis. For vehicle dynamic simulation, the proposed solution methods are proved to be more efficient than the classical approaches using reduced Lagrangian multiplier method. With the methods computation time for real-time vehicle dynamic simulation can be reduced up to 14 per cent compared to the classical approach.     

Effects of K2O Evaporation on the Structural Properties of KSbO3 Compounds

A specimen having a stoichiometric composition of KSbO₃·(KSb) calcined at 800°C has an R rhombohedral structure (RS), and changes to a Pn cubic structure (CS) when calcined at 1100°C. Finally, a <111>‐oriented rhombohedral phase is formed in the specimen calcined at 1230°C. K/Sb ratio decreases from 1.0 in RS, 0.93 in CS, and finally to 0.85 in <111>‐oriented rhombohedral phases. On the other hand, a specimen having a K‐excess composition of K_1.1SbO₃ calcined at 800°C shows a RS that is maintained in the K‐excess specimen calcined at 1230°C. The composition of these specimens is very close to KSb. Therefore, the RS with a space group of R is a stable form of KSbO₃. The formation of Pn cubic and <111>‐oriented R phases can be explained by the evaporation of K₂O during the calcination process at temperatures above 1100°C.     

MOCVD (BaxSr1−x)Ti1+yO3+z (BST) thin films for high frequency tunable devices

Abstract

We have investigated the structural and electrical characteristics of (Ba_xSr_1?x)Ti_1+yO_3+z (BST) thin films synthesized at 650°C on Pt/SiO₂/Si substrates using a large area, vertical metalorganic chemical vapor deposition (MOCVD) reactor equipped with a liquid delivery system. Films with a Ba/Sr ratio of 70/30 were studied, as determined using X-ray fluorescence spectroscopy (XRF) and Rutherford backscattering spectrometry (RBS). A substantial reduction of the dielectric loss was achieved when annealing the entire capacitor structure in air at 700°C. Dielectric tunability as high as 2.3:1 was measured for BST capacitors with the currently optimized processing conditions.     

Material property variations and defects of carbon/carbon brake disks monitored by ultrasonic methods

Several ultrasonic techniques were applied to carbon/carbon brake disks for the evaluation of spatial variations in material properties that are attributable to the manufacturing process. In a carbon/carbon brake disk manufactured by a combination of pitch impregnation and vapor infiltration methods, the spatial variation of ultrasonic velocity was measured and found to be consistent with the nonuniform densification behavior in the manufacturing process. Low frequency (e.g. 1–5 MHz) through-transmission scans were used for mapping out the material property inhomogeneity. These results were compared with that obtained by dry-coupling ultrasonics. A good correlation was found between ultrasonic velocity and material density on a set of small blocks cut out of the disk. Pulse-echo C-Scans (10–25 MHz) were used to image near-surface material property anomalies associated with certain steps in the manufacturing process. Ultrasonic velocities in the in-plane directions were affected more by the relative contents of fabric and chopped fiber, and less by the void content.     

Electrocatalytic Reduction of CO2 to Ethylene by Molecular Cu‐Complex Immobilized on Graphitized Mesoporous Carbon

The electrochemical reduction of carbon dioxide (CO₂) to hydrocarbons is a challenging task because of the issues in controlling the efficiency and selectivity of the products. Among the various transition metals, copper has attracted attention as it yields more reduced and C2 products even while using mononuclear copper center as catalysts. In addition, it is found that reversible formation of copper nanoparticle acts as the real catalytically active site for the conversion of CO₂ to reduced products. Here, it is demonstrated that the dinuclear molecular copper complex immobilized over graphitized mesoporous carbon can act as catalysts for the conversion of CO₂ to hydrocarbons (methane and ethylene) up to 60%. Interestingly, high selectivity toward C2 product (40% faradaic efficiency) is achieved by a molecular complex based hybrid material from CO₂ in 0.1 m KCl. In addition, the role of local pH, porous structure, and carbon support in limiting the mass transport to achieve the highly reduced products is demonstrated. Although the spectroscopic analysis of the catalysts exhibits molecular nature of the complex after 2 h bulk electrolysis, morphological study reveals that the newly generated copper cluster is the real active site during the catalytic reactions.     

Determination of atomistic deformation of tricalcium silicate paste with high-volume fly ash

We examined the effect of incorporating high-volume fly ash on the atomic arrangement and interatomic deformation behavior of calcium silicate hydrates in tricalcium silicate paste upon exposure to external forces. The interatomic structural changes and strains under compressive load were assessed using synchrotron in situ high-energy X-ray scattering-based atomic pair distribution function analysis. Three different types of strains, which were (a) macroscopic strains from gauges on the surfaces of specimen, (b) strains in a reciprocal space (Bragg peak shift), and (c) strains in real space (PDF peak shift), were compared to each other. All monitored and calculated strains for tricalcium silicate-fly ash (50 wt% fly ash) paste were compared with the counterparts of the pure tricalcium silicate paste. Pair distribution function analysis in the range of r < 10 Å indicated that the atomic arrangement of tricalcium silicate-fly ash was similar to that of synthetic calcium silicate hydrates followed by that of pure tricalcium silicate paste. Moreover, the pair distribution function refinement results revealed that the calcium silicate hydrate structure in tricalcium silicate-fly ash paste was similar to tobermorite 11 Å, unlike that in pure tricalcium silicate paste. The interatomic strain of tricalcium silicate-fly ash in the real space (r < 20 Å) was smaller than that of tricalcium silicate under compression, which suggested that the incompressibility of calcium silicate hydrates at atomistic scale was enhanced by the incorporation of fly ash into it. This was likely to be caused by the increased silicate polymerization of calcium silicate hydrates, which was attributed to the increase in the amount of silicate in their structure via the addition of fly ash.     

Flexible Hard Coating: Glass‐Like Wear Resistant,Yet Plastic‐Like Compliant,Transparent Protective Coating for Foldable Displays

A flexible hard coating for foldable displays is realized by the highly cross‐linked siloxane hybrid using structure–property relationships in organic–inorganic hybridization. Glass‐like wear resistance, plastic‐like flexibility, and highly elastic resilience are demonstrated together with outstanding optical transparency. It provides a framework for the application of siloxane hybrids in protective hard coatings with high scratch resistance and flexibility for foldable displays.     

Homogeneous 2D MoTe2 p–n Junctions and CMOS Inverters formed by Atomic‐Layer‐Deposition‐Induced Doping

Recently, α‐MoTe₂, a 2D transition‐metal dichalcogenide (TMD), has shown outstanding properties, aiming at future electronic devices. Such TMD structures without surface dangling bonds make the 2D α‐MoTe₂ a more favorable candidate than conventional 3D Si on the scale of a few nanometers. The bandgap of thin α‐MoTe₂ appears close to that of Si and is quite smaller than those of other typical TMD semiconductors. Even though there have been a few attempts to control the charge‐carrier polarity of MoTe₂, functional devices such as p–n junction or complementary metal–oxide–semiconductor (CMOS) inverters have not been reported. Here, we demonstrate a 2D CMOS inverter and p–n junction diode in a single α‐MoTe₂ nanosheet by a straightforward selective doping technique. In a single α‐MoTe₂ flake, an initially p‐doped channel is selectively converted to an n‐doped region with high electron mobility of 18 cm² V^?1 s^?1 by atomic‐layer‐deposition‐induced H‐doping. The ultrathin CMOS inverter exhibits a high DC voltage gain of 29, an AC gain of 18 at 1 kHz, and a low static power consumption of a few nanowatts. The results show a great potential of α‐MoTe₂ for future electronic devices based on 2D semiconducting materials.