Assembling nanowires from Mo-S clusters and effects of iodine doping on electronic structure

Using ab initio calculations, we find high stability of octahedral Mo6S8 clusters, which can further be condensed to form Mo3nS3n+2 (n, an integer) nanowires. These linear structures are energetically more favorable compared with other closed-packed polyhedral isomers of Mo-S clusters. The octahedral units in nanowires are stabilized by strong Mo-Mo interactions and p-d hybridization between Mo 4d and S 2p orbitals. There is a free electron-like band that crosses the Fermi energy in infinite nanowires and leads to their metallic character. Iodine doping acts as electron donor and can be used to tailor the electronic conductivity. For Mo12S8I4 nanowires, both electrons and holes are found to contribute to conduction. These nanowires are energetically more favorable than the experimentally obtained Mo12S6I12 nanowires.     

Synthesis and spectral characterization of surface‐enriched polymer‐supported phase transfer catalysts and their effects on alkylation of phenylacetone

Polymer‐supported phase transfer catalysts with active sites mostly on the surface were prepared by suspension copolymerization of styrene (St), divinylbenzene (DVB), and vinylbenzyl chloride (VBC) with AIBN, followed by the quaternization of the resulting copolymer beads with triethylamine. Active sites on the surface were achieved by the delayed addition of functional monomer (VBC) to the partially copolymerized St/DVB. Polymer beads enriched with active sites were characterized by SEM, EDAX, FTIR, and ESCA. The electron micrographs showed that the exterior surface of delayed‐addition functional monomer catalysts (type 1) has a large number of nodules attached to the surface compared to the smooth surface exhibited by the conventional type 2 catalyst upon the simultaneous addition of all three monomers. In the EDAX analysis up to a depth of 100 Å, the surface chloride of type 1 peak intensity is greater (compared with type 2), indicating the  CH₂Cl enrichment on the surface. In FTIR, the peak intensities of the C N stretching (quaternary onium group) in type 1 are greater than those of type 2, confirming the evidence of more quaternization on the surface than in the bulk. From ESCA analysis to a depth of about 30 Å, it was found that type 1 (beads) contains 26% and type 2 contains 14% of covalent chloride on the surface, which strongly supports the grafting of VBC on St/DVB. In the estimation found by the Volhard method, type 1 has 4.73 m eq g⁻¹ and type 2 has 2.29 m eq g⁻¹ of ionic chloride, thus supporting the surface grafting of VBC. The catalytic activity of these two different catalysts was tested by studying the reaction, that is, the C‐alkylation of phenylacetone. The rate constants of this reaction for type 1 are almost twofold greater than those of type 2, a finding that could uphold the preceding experimental observations. © 2000 John Wiley & Sons, Inc. J Appl Polym Sci 76: 408–418, 2000     

Enhancing nugget size and weldable current range of ultra-high-strength steel using multi-pulse resistance spot welding

ABSTRACT

This paper presents an innovative approach that uses a pulse-profile to improve the welding quality of CP1180 steel in resistance spot welding process. Three pulses with two cooling times were used in the developed multi-pulse welding (MPW) schedule. The experimental results show that the first pulse increases the contact area between the sheets to improve the current flow pattern. The second pulse was designed to extend the sheet-to-sheet contact area and corona bond for preventing rapid nugget growth. Using these designs, the nugget size was maximised through the third pulse. The maximum nugget size using the designed MPW schedule was 18.5% greater than that of the single-pulse welding schedule and the weldable current range was extended by 130%.     

Design,Development, Analysis and Comparison of Instrumented Irradiation Capsule for Online Determination of Uniaxial Creep Behavior in Structural Specimen Out-of-Pile Test Results with Analytical Results in FBTR

The main intent of this work is to develop an instrumented capsule for online determination of uniaxial creep behavior of SS 316L structural specimen. The irradiation capsule has three different zones located one over the other. In the bottom zone of the capsule, the specimen is located, with one end fixed to the bottom portion of capsule and the other end connected to a central tube through a connecting plug. In the top zone a linear variable differential transducer (LVDT) is placed and its core is passed through the central tube. The end point of the LVDT core touches the plug connected to the specimen to measure the elongation of the structural specimen. In this capsule setup, bellows are used to apply a load on the structural specimen with the use of pressurized argon gas. With the application of pressure, the bottom bellow will expand and the top bellow will get compressed. During this expansion of the bottom bellow, tensile load will be applied on the specimen, and the elongation of the structural specimen will be measured by the movement of the core of the LVDT. This paper discusses the details of the design, assembly of an out-of-pile version of instrumented capsule and its experimental results are compared with literature results. The creep experiments have been carried out at three different temperatures and three different stresses (269 MPa at 450 °C, 287 MPa at 500 °C and 306 MPa at 550 °C). Initially the capsule is filled with pre-pressurized argon gas at 6 MPa at room temperature. We have observed that the force/load due to argon gas pressure is the major component for the tensile loading of the specimen and 95% of the total load acts on the SS 316L specimen and remaining 5% load only acts on the bellow. Design concept of instrumented capsule for uniaxial creep measurement has been validated.     

GPS: a constraint-based gene position procurement in chromosome for solving large-scale multiobjective multiple knapsack problems

The multiple knapsack problem (MKP) forms a base for resolving many real-life problems. This has also been considered with multiple objectives in genetic algorithms (GAs) for proving its efficiency. GAs use self-adaptability to effectively solve complex problems with constraints, but in certain cases, self-adaptability fails by converging toward an infeasible region. This pitfall can be resolved by using different existing repairing techniques; however, this cannot assure convergence toward attaining the optimal solution. To overcome this issue, gene position-based suppression (GPS) has been modeled and embedded as a new phase in a classical GA. This phase works on the genes of a newly generated individual after the recombination phase to retain the solution vector within its feasible region and to improve the solution vector to attain the optimal solution. Genes holding the highest expressibility are reserved into a subset, as the best genes identified from the current individuals by replacing the weaker genes from the subset. This subset is used by the next generated individual to improve the solution vector and to retain the best genes of the individuals. Each gene’s positional point and its genotype exposure for each region in an environment are used to fit the best unique genes. Further, suppression of expression in conflicting gene’s relies on the requirement toward the level of exposure in the environment or in eliminating the duplicate genes from the environment. TheMKP benchmark instances from the OR-library are taken for the experiment to test the new model. The outcome portrays that GPS in a classical GA is superior in most of the cases compared to the other existing repairing techniques.     

Application of NSGA-II Algorithm to Single-Objective Transmission Constrained Generation Expansion Planning

This paper presents an application of elitist nondominated sorting genetic algorithm version II (NSGA-II), a multiobjective algorithm to a constrained single objective optimization problem, the transmission constrained generation expansion planning (TC-GEP) problem. The TC-GEP problem is a large scale and challenging problem for the decision makers (to decide upon site, capacity, type of fuel, etc.) as there exist a large number of combinations. Normally the TC-GEP problem has an objective and a set of constraints. To use NSGA-II, the problem is treated as a two-objective problem. The first objective is the minimization of cost and the second objective is to minimize the sum of normalized soft constraints violation. The hard constraints (must satisfy constraints) are treated as constraints only. To improve the performance of the NSGA-II, two modifications are proposed. In problem formulation the modification is virtual mapping procedure (VMP), and in NSGA-II algorithm, controlled elitism is introduced. The NSGA-II is applied to solve TC-GEP problem for modified IEEE 30-bus test system for a planning horizon of six years. The results obtained by NSGA-II are compared and validated against single-objective genetic algorithm and dynamic programming. The effectiveness of each proposed approach has also been discussed in detail.     

Characterization of the interface between LiCoO2 and Li7La3Zr2O12 in an all-solid-state rechargeable lithium battery

The interfacial layer formed between a lithium-ion conducting solid electrolyte, Li₇La₃Zr₂O₁₂ (LLZ), and LiCoO₂ during thin film deposition was characterized using a combination of microscopy and electrochemical measurement techniques. Cyclic voltammetry confirmed that lithium extraction occurs across the interface on the first cycle, although the nonsymmetrical redox peaks indicate poor electrochemical performance. Using analytical transmission electron microscopy, the reaction layer (∼50 nm) was analyzed. Energy dispersive X-ray spectroscopy revealed that the concentrations of some of the elements (Co, La, and Zr) varied gradually across the layer. Nano-beam electron diffraction of this layer revealed that the layer contained neither LiCoO₂ nor LLZ, but some spots corresponded to the crystal structure of La₂CoO₄. It was also demonstrated that reaction phases due to mutual diffusion are easily formed between LLZ and LiCoO₂ at the interface. The reaction layer formed during high temperature processing is likely one of the major reasons for the poor lithium insertion/extraction at LLZ/LiCoO₂ interfaces.     

Statistical analysis of high cycle fatigue investigations of cast magnesium alloys under transverse load

Magnesium is the lightest structural material used and it is important to explore its properties completely as it is used in aviation, automotive, communication etc., This paper reports the reliability analysis carried out on the high cycle fatigue investigations performed on cast AZ91 Magnesium alloys under transverse load. An Electro dynamic shaker system was used to apply transverse load on the specimens fabricated as per ASTM standard. Weibull analysis was under taken to check and compare the reliability of the investigations on gravity cast and low pressure cast AZ91 magnesium alloys.