Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system

The total energies of Laves phases in the Cr–Nb and Zr–Cr systems have been calculated by the pseudo-potential VASP code with a full relaxation of all structural parameters. The special quasirandom structures (SQSs) have been constructed and their total energies have been calculated by the VASP code to predict the enthalpies of mixing for bcc and hcp solid solution phases. The phonon calculations for the C14 and C15 Laves phases have been performed to analyze the phase stability at elevated temperatures. The experimental study on the Zr–Cr system has been carried out at different temperatures to determine the phase boundaries. Based on these results, thermodynamic models of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr systems have been developed in this work by using the CALPHAD approach.     

An analytical model for optimizing the performance of graphene based silicon Schottky barrier solar cells

In this paper, a model taking into account the effects of carrier loss mechanisms has been developed. The model simulates the photovoltaic properties of the graphene/n-type silicon Schottky barrier solar cells (G/n-Si_SBSC), and it can reproduce the experimentally determined parameters of the G/n-Si_SBSC. To overcome the low efficiencies of G/n-Si_SBSC, their performances have been optimized by modifying the work function of graphene and Si properties, accounted for variation of its thickness and doping level. The obtained results show that the work function of graphene has the major impact on the device performance. Also, the temperature dependence of the G/n-Si_SBSC performance is investigated.     

A bi-layer optimization approach for a hybrid flow shop scheduling problem involving controllable processing times in the steelmaking industry

A steelmaking-continuous casting (SCC) scheduling problem is an example of complex hybrid flow shop scheduling problem (HFSSP) with a strong industrial background. This paper investigates the SCC scheduling problem that involves controllable processing times (CPT) with multiple objectives concerning the total waiting time, earliness/tardiness and adjusting cost. The SCC scheduling problem with CPT is seldom discussed in the existing literature. This study is motivated by the practical situation of a large integrated steel company in which the just-in-time (JIT) and cost-cutting production strategy have become a significant concern. To address this complex HFSSP, the scheduling problem is decomposed into two subproblems: a parallel machine scheduling problem (PMSP) in the last stage and an HFSSP in the upstream stages. First, a hybrid differential evolution (HDE) algorithm combined with a variable neighborhood decomposition search (VNDS) is proposed for the former subproblem. Second, an iterative backward list scheduling (IBLS) algorithm is presented to solve the latter subproblem. The effectiveness of this bi-layer optimization approach is verified by computational experiments on well-designed and real-world scheduling instances. This study provides a new perspective on modeling and solving practical SCC scheduling problems.     

Nonlinear response in glass fibre non-crimp fabric reinforced vinylester composites

This paper addresses the nonlinear stress-strain response in glass fibre non-crimp fabric reinforced vinylester composite laminates subjected to in-plane tensile loading. The nonlinearity is shown to be a combination of brittle and plastic failure. It is argued that the shift from plastic to brittle behaviour in the vinylester is caused by the state of stress triaxiality caused by the interaction between fibre and vinylester. A model combining damage and plasticity is calibrated and evaluated using data from extensive experimental testing. The onset of damage is predicted using the Puck failure criterion, and the evolution of damage is calibrated from the observed softening in plies loaded in transverse tension. Shear loading beyond linear elastic response is observed to result in irreversible strains. A yield criterion is implemented for shear deformation. A strain hardening law is fitted to the stress-strain response observed in shear loaded plies. Experimental results from a selection of laminates with different layups are used to verify the numerical models. A complete set of model parameters for predicting elastic behaviour, strength and post failure softening is presented for glass fibre non-crimped fabric reinforced vinylester. The predicted behaviour from using these model parameters are shown to be in good agreement with experimental results.     

Performance improvement of conventional and inverted polymer solar cells with hydrophobic fluoropolymer as nonvolatile processing additive

The morphology of the photoactive layer critically affects the performance of the bulk heterojunction polymer solar cells (PSCs). To control the morphology, we introduced a hydrophobic fluoropolymer polyvinylidene fluoride (PVDF) as nonvolatile additive into the P3HT:PCBM active layer. The effect of PVDF on the surface and the bulk morphology were investigated by atomic force microscope and transmission electron microscopy, respectively. Through the repulsive interactions between the hydrophilic PCBM and the hydrophobic PVDF, much more uniform phase separation with good P3HT crystallinity is formed within the active layer, resulting enhanced light harvesting and improved photovoltaic performance in conventional devices. The PCE of the conventional device can improve from 2.40% to 3.07% with PVDF additive. The PVDF distribution within the active layer was investigated by secondary ion mass spectroscopy, confirming a bottom distribution of PVDF. Therefore, inverted device structure was designed, and the PCE can improve from 2.81% to 3.45% with PVDF additive. Our findings suggest that PVDF is a promising nonvolatile processing additive for high performance polymer solar cells.     

Oxide-Scale Evolution on a New Ni–Fe-Based Superalloy at High Temperature

Oxidation of Metals - The isothermal oxidation behavior and oxide-scale evolution on a newly developed Ni–Fe-based superalloy were investigated. Three oxidation stages were generally...     

A novel approach to adaptive relational association rule mining

The paper focuses on the adaptive relational association rule mining problem. Relational association rules represent a particular type of association rules which describe frequent relations that occur between the features characterizing the instances within a data set. We aim at re-mining an object set, previously mined, when the feature set characterizing the objects increases. An adaptive relational association rule method, based on the discovery of interesting relational association rules, is proposed. This method, called ARARM (Adaptive Relational Association Rule Mining) adapts the set of rules that was established by mining the data before the feature set changed, preserving the completeness. We aim to reach the result more efficiently than running the mining algorithm again from scratch on the feature-extended object set. Experiments testing the method's performance on several case studies are also reported. The obtained results highlight the efficiency of the ARARM method and confirm the potential of our proposal.     

Enhancement of optical and electrical properties of SILAR deposited ZnO thin films through fluorine doping and vacuum annealing for photovoltaic applications

Undoped and fluorine doped ZnO thin films were deposited onto glass substrates using successive ionic layer adsorption and reaction (SILAR) technique and then annealed at 350 °C in vacuum ambience. The F doping level was varied from 0 to 15 at% in steps of 5 at%. The XRD analysis showed that all the films are polycrystalline with hexagonal wurtzite structure and preferentially oriented along the (002) plane. Crystallite sizes were found to increase when 5 at% of F is doped and then decreased with further doping. It was seen from the SEM images that the doping causes remarkable changes in the surface morphology and the annealing treatment results in well-defined grains with an improvement in the grain size irrespective of doping level. All the films exhibit good transparency (>70%) after vacuum annealing. Electrical resistivity of the film was found to be minimum (1.32×10⁻³ Ω cm) when the fluorine doping level was 5 at%.