Electronic structure and absolute band edge position of tetragonal AgInS2 photocatalyst: A hybrid density functional study

Energy bands, effective mass of carriers, absolute band edge positions and optical properties of tetragonal AgInS₂ were calculated using a first-principles approach with the exchange correlation described by B3LYP hybrid functional. The results indicate that tetragonal AgInS₂ has a direct band gap of 1.93 eV, which reproduce well experimental value. Calculated effective masses of electrons and holes are both small which are beneficial to separation and migration of electron and hole pairs. This implies that AgInS₂ has good photocatalytic performance. The calculated optical characteristics indicate that AgInS₂ has a slight anisotropy for both the real and imaginary parts of the dielectric function and exhibits large optical absorption in the visible light region. Furthermore, the calculated band edge positions in (100), (010) and (001) surfaces indicate that tetragonal AgInS₂ is beneficial to the reduction and oxidation of water to hydrogen and oxygen under visible light irradiation.     

Monomer casting nylon-6-b-polyether amine copolymers: Synthesis and properties

MC nylon-6-b-polyether amine copolymers were prepared with macro-initiator based on amino-terminated polyether amine functionalized with isocyanate via in-situ polymerization. It was found that the introduction of polyether amine delayed the polymerization process of caprolactam by increasing apparent activation energy and pre-exponential factor, resulting in the decrease of molecular weight of nylon-6. The motion of molecular chain of the copolymers was easy because of the decreased hydrogen bonds and weakened inter-molecular forces. The physical entanglement of molecular chains of the copolymers was significant and strong which increased the entanglement density. Only the nylon-6 phase crystallized in the copolymers and the crystal grain size, spherulite size and crystallinity of the copolymers decreased. A small amount of γ crystal formed at high polyether amine content. The copolymers presented obvious strain hardening behavior in stress-strain curves and the loss factor dramatically increased while the glass transition temperature and storage module decreased. The fracture surface of the copolymers became rough and presented hairy structure, indicating that the toughening mechanism of the copolymers corresponded to the multi-layer crack extension mechanism.     

Fatigue limit evaluation of various martensitic stainless steels with new robust thermographic data analysis

Thermography represents an important tool to study fatigue behaviour of materials.In this work, the fatigue limit of martensitic and precipitation hardening stainless steels has been determined with thermographic methods. Despite their use in corrosive and cryogenic environments, there is a data lack in literature concerning the study of fatigue behaviour.The peculiarity of these materials is the brittle behaviour: therefore, during fatigue tests the characteristic small deformations determine small changes of temperature. Thus, to properly determine the fatigue limit of aforementioned stainless steels, a more accurate setup is necessary in order to correctly detect surface temperature of specimens due to dissipation heat sources.In literature, different procedures have already been proposed to evaluate the fatigue limit from thermal data but very few works lead to an early detection of dissipation process which can obtain a further reduction of overall testing time. The aim of the paper is to propose a new robust thermal data analysis procedure for estimating fatigue limit of stainless steels in automatable way.     

Distributed wireless power transfer in sensor networks with multiple Mobile Chargers

We investigate the problem of efficient wireless power transfer in wireless sensor networks. In our approach, special mobile entities (called the Mobile Chargers) traverse the network and wirelessly replenish the energy of sensor nodes. In contrast to most current approaches, we envision methods that are distributed and use limited network information. We propose four new protocols for efficient charging, addressing key issues which we identify, most notably (i) what are good coordination procedures for the Mobile Chargers and (ii) what are good trajectories for the Mobile Chargers. Two of our protocols (DC, DCLK) perform distributed, limited network knowledge coordination and charging, while two others (CC, CCGK) perform centralized, global network knowledge coordination and charging. As detailed simulations demonstrate, one of our distributed protocols outperforms a known state of the art method, while its performance gets quite close to the performance of the powerful centralized global knowledge method.     

Inverted pendulum stabilization: Characterization of codimension-three triple zero bifurcation via multiple delayed proportional gains

The paper considers the problem of stabilization of systems possessing a multiple zero eigenvalue at the origin. The controller that we propose, uses multiple delayed measurements instead of derivative terms. Doing so, we increase the performances of the closed loop in presence of system uncertainties and/or noisy measurements. The problem formulation and the analysis is presented through a classical engineering problem which is the stabilization of an inverted pendulum on a cart moving horizontally. On one hand, we perform a nonlinear analysis of the center dynamics described by a three dimensional system of ordinary differential equations with a codimension-three triple zero bifurcation. On the other hand, we present the complementary stability analysis of the corresponding linear time invariant system with two delays describing the behavior around the equilibrium. The aim of this analysis is to characterize the possible local bifurcations. Finally, the proposed control scheme is numerically illustrated and discussed.     

Geometry of 3D MAT and its application to moulding surfaces

This paper investigates the differential geometry of 3D MAT (medial axis transform) using the moving frame and differential form. After constructing the mapping relation and moving frames around both the MA (medial axis) point and the associated boundary points, various curves are defined to serve as carriers for the study. Based on analysis of the infinitesimal translation and rotation of the moving frames, the relations of distance differentials, rotation vectors and differential invariants are derived. Furthermore, a special case in the 3D MAT, the normal form, is defined for the moulding surfaces, where the 3D problem can be converted into a 2D one.     

Mechanical properties of graphene films enhanced by homo-telechelic functionalized polymer fillers via π–π stacking interactions

Most researches on graphene/polymer composites are focusing on improving the mechanical and electrical properties of polymers at low graphene content instead of paying attention to constructing graphene’s macroscopic structures. In current study the homo-telechelic functionalized polyethylene glycols (FPEGs) were tailored with π-orbital-rich groups (namely phenyl, pyrene and di-pyrene) via esterification reactions, which enhanced the interaction between polyethylene glycol (PEG) molecules and chemical reduced graphene oxide (RGO) sheets. The π–π stacking interactions between graphene sheets and π-orbital-rich groups endowed the composite films with enhanced tensile strength and tunable electrical conductivity. The formation of graphene network structure mediated by the FPEGs fillers via π–π stacking non-covalent interactions should account for the experimental results. The experimental investigations were also complemented with theoretical calculation using a density functional theory. Atomic force microscope (AFM), scanning electron microscope (SEM), X-ray diffraction (XRD), nuclear magnetic resonance (NMR), thermal gravimetric analysis (TGA), UV–vis and fluorescence spectroscopy were used to monitor the step-wise preparation of graphene composite films.     

Effect of grinding-induced cyclic heating on the hardened layer generation in the plunge grinding of a cylindrical component

This paper discusses the effects of the grinding-induced cyclic heating on the properties of the hardened layer in a plunge cylindrical grinding process on the high strength steel EN26. It was found that a multi-pass grinding brings about a uniform and continuous hardened layer along the circumference of the cylindrical workpiece. An increase of the number of grinding passes, leads to a thicker layer of hardening, a larger compressive residual stress and a deeper plastic deformation zone. Within the plastic deformation zone, the martensitic grains are refined by the thermo-mechanical loading, giving rise to a hardness of 12.5% higher than that from a conventional martensitic transformation. The coupled effects of heat accumulation and wheel wear in the multi-pass grinding are the main causes for the thickening of the hardened layer. A too small infeed per workpiece revolution would result in insufficient grinding heat, and in turn, bring about an undesirable tempered hardened layer and a reduction of its hardness.