Materials Literature
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A brief theory and simulation overview for the purpose of design is presented with examples applies to modeling the physical properties, behavior, and phenomena of nanomaterial. This review paper constructs perspectives that consider coupling traditional domains of simulation by novel pathways to produce accurate repr…
Crosslinked-biopolymer nanoparticles provide a convenient platform for therapeutic encapsulation and delivery. Here, we present a robust inverse-micelle process to load water-soluble drugs into a calcium-crosslinked alginate matrix. The utility of the resulting nanoalginate (NALG) carriers was assessed by a doxorubici…
A new interatomic potential for the pure tin (Sn) system is developed on the basis of the second-nearest-neighbor modified embedded-atom-method formalism. The potential parameters were optimized based on the force-matching method utilizing the density functional theory (DFT) database of energies and forces of atomic c…
We study the effect of polymer coating, pressure, temperature, and light on the electrical characteristics of monolayer WSe 2 back-gated transistors with Ni / Au contacts. Our investigation shows that the removal of a layer of poly(methyl methacrylate) (PMMA) or a decrease of the pressure change the device conductivit…
Laves phase alloys are promising materials for several structural applications, but the extreme brittleness is the predominant shortcoming of a Laves matrix. One potential solution to overcome this shortcoming is to alloy Laves matrix with some soft matrix. A group of Ti-35Zr-5Fe-xMn (x = 0, 2, 4, 6, 8 wt%) alloys was…
A C 60 -PEI-rGO hybrid was prepared by incorporating the fullerene (C 60 ) on the surface of PEI-modified reduced graphene oxide (rGO) and then used to modify the epoxy (EP) resin. Subsequently, the structure of GO and C 60 -PEI-rGO hybrid were well characterized, showing that the C 60 was homogenously anchored on the…
A breakthrough in alloy design often requires comprehensive understanding in complex multi-component/multi-phase systems to generate novel material hypotheses. We introduce a modern data analytics workflow that leverages high-quality experimental data augmented with advanced features obtained from high-fidelity models…
The $ϕ^4$ model has been the "workhorse" of the classical Ginzburg--Landau phenomenological theory of phase transitions and, furthermore, the foundation for a large amount of the now-classical developments in nonlinear science. However, the $ϕ^4$ model, in its usual variant (symmetric double-well potential), can only…
Transport properties of Ce$_{0.85}$F0.15SbS$_{2}$ and undoped CeOSbS$_{2}$ under high pressure were investigated experimentally and theoretically. Electrical resistivity measurements of the Ce$_{0.85}$F0.15SbS$_{2}$ single crystals were performed under various high pressures using a diamond anvil cell with boron-doped…
Corrosion is an inevitable phenomenon that is inherent in metals and even though there has been significant research on this subject, no ideal protection has been discovered to fully prevent corrosion. However, methods such as using protective coatings, and modifying the structure or composition of the material have b…
INTRODUCTION: Numerous antimicrobial agents are used to eliminate oral biofilm. However due to emergence of multi drug resistant microorganisms, the quest to find out biologically safe and naturally available antimicrobial agents continues. AIM: To evaluate antimicrobial efficacy of silver nano-particles against five…
The potential of covalent organic frameworks (COFs) for realizing porous, crystalline networks with tailored combinations of functional building blocks has attracted considerable scientific interest in the fields of gas storage, photocatalysis, and optoelectronics. Porphyrins are widely studied in biology and chemistr…
Nanotechnology mainly involves the fabrication, manipulation, and utilization of materials in nano size (materials having size less than a micron to that of individual atoms). However, nanoparticles can be synthesized by several chemical and physical approaches; now, it is also possible to integrate the use of biologi…
Layer stacking and chemical stability are crucial for two-dimensional covalent organic frameworks (2D COFs), but are yet challenging to gain control. In this work, we demonstrate synthetic control of both the layer stacking and chemical stability of 2D COFs by managing interlayer steric hindrance via a multivariate (M…
The growing industrial demand for sustainable materials has led to a paradigm shift in the focus from synthetic polymers towards natural fibres. This paper deals with the challenges and opportunities associated with the use of natural fibre-reinforced polymer composites in various industrial applications. Natural fibr…
A novel azoester homologous series with chloro lateral group and a fluoro terminal end group was synthesized and characterized for mesomorphic properties. It consists of thirteen azo ester derivatives from trans-4-n-alkoxy cinnamic acid with 4-hydroxy-3-chloro phenyl azo-3-chloro-4-fluoro benzene. Mesomorphic property…
The issues related to the implementation of the process of depolymerizing of waste polymers, initiated by thermal action of an intense electromagnetic microwave field, are considered. The reactions considered are distinguished by the possibility of reducing the initial monomers or oligomers. The required reaction temp…
Abstract High performance capacitors have been investigated to meet higher integration density with optimized charge‐storing capability. Here, we introduce nonconventional thick film dielectric compositions based on 95BaTiO 3 – x ZnF 2 –(2− x )BaF 2 –3glass ( x = 0.5, 1.0, and 1.5) where the relative content of ZnF 2…
Silver nanoparticles (AgNPs) were prepared using the poly phenol rich ethyl acetate fraction of Terminalia bellirica fruit pericarp and characterized by UV-Vis and infrared spectroscopy, X-ray diffraction and transmission electron microscopy. The synthesized nanoparticles had sizes in between 7-11 nm, were spherical i…
In the scope of this study, a powder mixture was prepared that contained 3 Al2O3-Y2O3 consisting of 99.99% pure Al2O3 and aluminum oxide of 65–67% and 70% by weight of 99.999% pure Y2O3 powders. After the powders were weighed on a precision scale, the milling process was carried out in a vibratory disc mill. For the g…