Modulation of Electronic and Self-Assembly Properties of a Donor-Acceptor-Donor-Based Molecular Materials via Atomistic Approach

The performance of molecular materials in optoelectronic devices critically depends upon their electronic properties and solid-state structure. In this report, we have synthesized sulfur and selenium based (T4BT and T4BSe) donor-acceptor-donor (D-A-D) organic derivatives in order to understand the structure-property correlation in organic semiconductors by selectively tuning the chalcogen atom. The photophysical properties exhibit a significant alteration upon varying a single atom in the molecular structure. A joint theoretical and experimental investigation suggests that replacing sulfur with selenium significantly reduces the band gap and molar absorption coefficient because of lower electronegativity and ionization potential of selenium. Single-crystal X-ray diffraction analysis showed differences in their solid-state packing and intermolecular interactions. Subsequently, difference in the solid-state packing results variation in self-assembly. Micorstructural changes within these materials are correlated to their electrical resistance variation, investigated by conducting probe atomic force microscopy (CP-AFM) measurements. These results provide useful guidelines to understand the fundamental properties of D-A-D materials prepared by atomistic modulation.

On the strain rate sensitivity of plastic flow in metallic glasses

The nanoindentation technique was employed to examine the strain rate sensitivity, m, and its dependence on the structural state of a Zr-based bulk metallic glass (BMG). The free volume content in the BMG was varied by examining samples in the as-cast (AC), shot-peened (SP), and structurally relaxed (SR) states. Hardness values measured at different loading rates and over a temperature range of 300-423 K as well as the strain-rate jump tests conducted in the quasi-static regime at room temperature, show that m is always negative. All the load-displacement (P-h) curves in this temperature regime exhibit serrated load-displacement responses, indicating that the shear band mediated inhomogeneous plastic flow governs deformation. Such localization of flow and associated softening is the raison d'etre for the negative m. Significant levels of pile-up around the indents were also noted. The order in the average values of hardness, pile-up heights, and the displacement bursts on the P-h curves was always such that SR > AC > SP, which is also the order of increasing free volume content. These observations were utilized to discuss the reasons for the negative strain rate sensitivity, and its dependence on the structural state of metallic glasses. It is suggested that the positive values of m reported in the literature for them are possibly experimental artefacts that arise due to large pile ups around the indents which lead to erroneous estimation in hardness values. (C) 2014 Elsevier B.V. All rights reserved.

Si-mediated fabrication of reduced graphene oxide and its hybrids for electrode materials

Here, we demonstrate a Si-mediated environmentally friendly reduction of graphene oxide (GO) and the fabrication of its hybrids with multiwall carbon nanotubes and nanofibers. The reduction of GO is facilitated by nascent hydrogen generated by the reaction between Si and KOH at similar to 60 degrees C. The overall process takes 5 to 7 minutes and 10 to 15 mu m of Si is consumed each time. We show that Si can be used multiple times and the rGO based hybrids can be used for electrode materials.

Enzymatically degradable EMI shielding materials derived from PCL based nanocomposites

In this study, two different types of multiwall carbon nanotubes (MWNTs) namely pristine (p-MWNTs) and amine functionalized (a-MWNTs) were melt-mixed with polycaprolactone (PCL) to develop biodegradable electromagnetic interference (EMI) shielding materials. The bulk electrical conductivity of the nanocomposites was assessed using broadband dielectric spectroscopy and the structural properties were evaluated using dynamic mechanical thermal analysis (DMTA). Both the electrical conductivity and the structural properties improved after the addition of MWNTs and were observed to be proportional to the increasing fractions in the nanocomposites. The shielding effectiveness of the nanocomposites was studied using a vector network analyzer (VNA) in a broad range of frequencies, X-band (8 to 12 GHz) and K-u-band (12 to 18 GHz) on toroidal samples. The shielding effectiveness significantly improved on addition of MWNTs, more in the case of p-MWNTs than in a-MWNTs. For instance, at a given fraction of MWNTs (3 wt%), PCL with p-MWNTs and a-MWNTs showed a shielding effectiveness of -32 dB and -29 dB, respectively. Moreover, it was observed that reflection was the primary mechanism of shielding at lower fractions of MWNTs, while absorption dominated at higher fractions in the composites. As one of the rationales of this work was to develop biodegradable EMI shielding materials to address the challenges concerning electronic waste, the effect of different MWNTs on the biodegradability of PCL composites was assessed through enzymatic degradation. The enzymatic degradation of the samples cut from the hot pressed films by bacterial lipase was investigated. It was noted that a-MWNTs exhibited almost similar degradation rate as the control PCL sample; however, p-MWNTs showed a slower degradation rate. This study demonstrates the potential use of PCL-MWNT composites as flexible, light weight and eco-friendly EMI shielding materials.

Effect of grain boundary engineering on the microstructure and mechanical properties of copper containing austenitic stainless steel

The present investigation deals with grain boundary engineering of a modified austenitic stainless steel to obtain a material with enhanced properties. Three types of processing that are generally in agreement with the principles of grain boundary engineering were carried out. The parameters for each of the processing routes were fine-tuned and optimized. The as-processed samples were characterized for microstructure and texture. The influence of processing on properties was estimated by evaluating the room temperature mechanical properties through micro-tensile tests. It was possible to obtain remarkably high fractions of CSL boundaries in certain samples. The results of the micro-tensile tests indicate that the grain boundary engineered samples exhibited higher ductility than the conventionally processed samples. The investigation provides a detailed account of the approach to be adopted for GBE processing of this grade of steel. (C) 2014 Elsevier B.V. All rights reserved.

Post-failure Analysis and Fractography of In-plane Tension-Tested Tufted Carbon Fabric-Reinforced Epoxy Composite Laminates

Tufted and plain unidirectional carbon fabric-reinforced epoxy composite laminates were fabricated by vacuum-enhanced resin infusion technology and subjected to in-plane tensile tests with a view to study the changes in mechanical properties and failure responses. Owing to the presence of tufts in the laminates, both the tensile strength and modulus decrease by similar to 38 and similar to 20%, respectively, vis-A -vis the values recorded for plain composites. The fracture features point to the fact that though both the composites fail in brittle manner, they, however, exhibit differing fiber pull out lengths. Further, it was noticed that for the tufted ones, crack originates in the vicinity of tuft thread, spreads through the composite in a brittle manner, and results in a display of shorter fiber pull out lengths. These observations and other results are discussed in this paper.

Performance Analysis of Heat Sinks With Phase-Change Materials Subjected to Transient and Cyclic Heating

Phase-change cooling technique is a suitable method for thermal management of electronic equipment subjected to transient or cyclic heat loads. The thermal performance of a phase-change based heat sink under cyclic heat load depends on several design parameters, namely, applied heat flux, cooling heat transfer coefficient, thermophysical properties of phase-change materials (PCMs), and physical dimensions of phase-change storage system during melting and freezing processes. A one-dimensional conduction heat transfer model is formulated to evaluate the effectiveness of preliminary design of practical PCM-based energy storage units. In this model, the phase-change process of the PCM is divided into melting and solidification subprocesses, for which separate equations are written. The equations are solved sequentially and an explicit closed-form solution is obtained. The efficacy of analytical model is estimated by comparing with a finite-volume-based numerical solution for both transient and cyclic heat loads.

Correlation of microstructure and creep behaviour of MRI230D Mg alloy developed by two different casting technologies

The relationship between the as-cast microstructure and creep behaviour of the heat-resistant MRI230D Mg alloy produced by two different casting technologies is investigated. The alloy in both ingot-casting (IC) and high pressure die-casting (HPDC) conditions consists of alpha-Mg, 06 ((Mg,AI)(2)Ca), Al-Mn and Sn-Mg-Ca rich phases. However, the HPDC alloy resulted in relatively finer grain size and higher volume fraction of finer, denser network of eutectic C36 phase in the as-cast microstructure as compared to that of the IC alloy. The superior creep resistance exhibited by the HPDC alloy at all the stress levels and temperatures employed in the present investigation was attributed to the more effective dispersion strengthening effect caused by the presence of finer and denser network of the C36 phase. The increased amount of the eutectic C36 phase was the only change observed in the microstructures of both alloys following creep tests. (C) 2015 Elsevier B.V. All rights reserved.