Materials Literature
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In Part I of this two-part investigation we described a methodology for the development of robust, analytic, many-body atom-atom potentials for small organic molecules from first principles and demonstrated how the CamCASP program can be used to derive the damped, distributed multipole models for pyridine. Here we dem…
Due to the large free surface and strong anisotropy, the mechanical property of nanowire differs from its bulk counterpart. In this paper, the strong dependence of NW's strength on its surface orientation is revealed, and two modes of dislocation nucleation have been identified: the corner nucleation and the surface n…
Mosquito-borne diseases cause several deaths every year in tropical and subtropical climate countries. Control of vectors is an alarming problem in today’s world due to the resistance matters. In this study magnesium incorporated hydroxyapatite nanoparticles have been synthesized by microwave irradiation method. Magne…
A facile, green and eco-friendly approach was introduced for the synthesis of silver nanoparticles using dragon fruit peel extract (DPE) as reducing as well as capping agent. The effect of pH on the formation of silver nanoparticles was studied utilizing various characterization techniques including UV-Vis spectroscop…
Flexoelectricity, the linear coupling of strain gradient and electric polarization, is inherently a size-dependent phenomenon. The energy storage function for a flexoelectric material depends not only on polarization and strain, but also strain-gradient. Thus, conventional finite-element methods formulated solely on d…
This study focused on the effect of PCL on crystalline morphology, isothermally crystallization of PLA in PLA/PCL blends using POM on investigation. The blend with Pluronic used as a plasticizer was also studied. The blends were prepared by melt blending in an internal mixer. The contents of PCL incorporated were vari…
Based on the combined technologies of atomic force microscopy, X‐ray diffraction/scattering, Fourier transform infrared spectra analysis, etc., it is demonstrated that the nano‐fishnet‐like networks, one of the most flexible but toughest structures, turn out to be the basic structure of silk filaments. The force patte…
Despite widespread use and prospective biomedical applications of copper nanoparticles (Cu NPs), their biosafety issues and kinetics remain unclear. Thus, the aim of this study was to compare the detailed in vivo toxicity of Cu NPs and cupric ions (CuCl2; Cu ions) after a single oral dose. We determined the physicoche…
We have designed a Ni-graphene composite for hydrogen storage with Ni nanoparticles of 10 nm in size, uniformly dispersed over a graphene substrate. This system exhibits attractive features like high gravimetric density, ambient conditions, and low activation temperature for hydrogen release. When charged at room temp…
Polypyrrole nanowires are facile synthesized under a mild condition with FeCl 3 as an oxidant. Polypyrrole nanowires with the width of 120 nm form many nanogaps or pores due to the intertwined nanostructures . More importantly, PPy nanowires were further applied for supercapacitor electrode materials. After electroche…
Relaxor ferroelectricity is one of the most widely investigated but the least understood material classes in the condensed matter physics. This is largely due to the lack of experimental tools that decisively confirm the existing theoretical models. In spite of the diversity in the models, they share the core idea tha…
Bioabsorbable metal zinc (Zn) is a promising new generation of implantable scaffold for cardiovascular and orthopedic applications. In cardiovascular stent applications, zinc ion (Zn(2+)) will be gradually released into the surrounding vascular tissues from such Zn-containing scaffolds after implantation. However, the…
The electronic spin of the nitrogen vacancy (NV) center in diamond forms an atomically sized, highly sensitive sensor for magnetic fields. To harness the full potential of individual NV centers for sensing with high sensitivity and nanoscale spatial resolution, NV centers have to be incorporated into scanning probe st…
In this study, Fe/MgO catalysts with three different iron contents (5, 10, and 15 wt.%) were prepared by three catalyst preparation methods: impregnation, solution combustion synthesis, and co-calcination of metal ni‐ trates. The resulting catalysts were subjected to methane at 900°C in order to grow carbon nanotubes…
In this study, novel electrodes were prepared via decoration of nanotubed TiO2 (TiNT) films with crystalline two- dimensional (2D) MoS2 species by a one-step hydrothermal synthesis approach. Obtained products were characterized in detail by scanning electron microscopy, Raman spectro‐ scopy, U-I measurements and X-ray…
CaCO3-epoxy composite coatings containing different qualities of nano-Al2O3 were successfully prepared. Infrared spectroscopy was used to verify whether the nano- Al2O3 was modified successfully and scanning electron microscopic (SEM) pictures were taken to study the inner morphology of the composite coatings. When te…
This paper reports on miniaturized hydrogen sensing platforms, exploring several means of fabricating nano‐ structured films and evaluating their sensing characteris‐ tics. Palladium-sputtered nanoporous organosilicate matrices are fabricated using the polymeric system [poly‐ methylsilsesquioxane (PMSSQ); polypropylen…
Material reliability is among the crucial factors that impact the performance of devices. In order to predict material reliability, an accelerated ageing study to predict material shelf life when subjected to temperature and humidity was performed on silicon nanowires (SiNWs). We investigated the effects of process co…
The potential of magnetic nanoparticles (MNPs) in drug delivery systems (DDSs) is mainly related to its magnetic core and surface coating. These coatings can eliminate or minimize their aggregation under physiological conditions. Also, they can provide functional groups for bioconjugation to anticancer drugs and/or ta…
It is known that the Allen-Chan equations satisfy the maximum principle. Is this true for numerical schemes? To the best of our knowledge, the state-of-art stability framework is the nonlinear energy stability which has been studied extensively for the phase field type equations. In this work, we will show that a stro…