Materials Literature
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Since Reactor Pressure Vessel steels are ferromagnetic, they provide a convenient means to monitor changes in the mechanical properties of the material upon irradiation with high energy particles, by measuring their magnetic properties. Here, we discuss the correlation between these two properties (i.e. mechanical and…
The enthalpies of solution of H in Zr binary intermetallic compounds formed with Cu, Cr, Fe, Mo, Ni, Nb, Sn and V were calculated by means of density functional theory simulations and compared to that of H in α-Zr. It is predicted that all Zr-rich phases (formed with Cu, Fe, Ni and Sn), and those phases formed with Nb…
In this work, a lead-free piezoelectric system based on (1−x)(K0.48Na0.52)(Nb0.95Sb0.05)O3-xBi0.5(Na0.7K0.2Li0.1)0.5ZrO3 [(1−x)KNNS-xBNKLZ] is developed, and a rhombohedral-tetragonal phase boundary is constructed in this system. The relationship between the phase boundary and the piezoelectric properties of the (1−x)…
Colloidal semiconductor nanocrystals have attracted attention for cost-effective, solution-based deposition of quantum-confined thin films for optoelectronics. However, two significant challenges must be addressed before practical nanocrystal-based devices can be realized. The first is coping with the ligands that ter…
We investigate the chiral properties of near fields around plasmonic nanostructures and their relation to the electromagnetic chirality $C$. By combining chiral metal nanoparticles with achiral dye molecules and measuring the circular polarization dependence of the enhanced photoluminescence, we find a correlation bet…
Over the last decade, a significant amount of work has been devoted to point defect behaviour in UO2 using approximations beyond density functional theory (DFT), in particular DFT + U and hybrid functionals for correlated electrons. We review the results of these studies from calculations of bulk UO2 properties to the…
We report the first principles investigations on the phonons of three polytypes of BaTiO${}_{3}$ (BTO): paraelectric (PE) cubic $Pm\overline{3}m$ and two ferroelectric (FE) phases, tetragonal $P$4$mm$ and rhombohedral $R$3$m$. The phonon frequencies were calculated using various exchange-correlation functionals, inclu…
Modeling nanoscale capacitance presents particular challenge because of dynamic contribution from electrodes, which can usually be neglected in modeling macroscopic capacitance and nanoscale conductance. We present a model to calculate capacitances of nano-gap configurations and define effective capacitances of nanosc…
The interpretation of Kerr rotation measurements in the superconducting phase of Sr$_2$RuO$_4$ is a controversial topic. Both intrinsic and extrinsic mechanisms have been proposed, and it has been argued that the intrinsic response vanishes by symmetry. We focus on the intrinsic contribution and clarify several confli…
We have calculated heat capacity of TiO2 nanoparticles in three stable polymorphs by applying size and surface effects on heat capacity of the bulk structure. The size and surface corrections were imposed on the acoustic and optical bulk phonons, separately. The model used in the present work is a simple modification…
Ab-initio computer simulations have been used to predict the energies associated with the accommodation of H atoms at interstitial sites in α, β-Zr and Zr.M intermetallics formed with common alloying additions (M = Cr, Fe, Ni). Intermetallics that relate to the Zr2(Ni,Fe) second phase particles (SPPs) found in Zircalo…
Our experiments show that in $^4$He crystals, the binding of $^3$He impurities to dislocations does not necessarily imply their pinning. Indeed, in these crystals, there are two different regimes of the motion of dislocations when impurities bind to them. At lowdriving strain $ε$ and frequency $ω$, where the dislocati…
The paper presents an experimental study of the instability of a magnetic fluid layer of finite thickness covering a magnetizable metal plate exposed to a perpendicular magnetic field. The critical field strength and the instability wave number have been measured.
The possibility of spontaneous photon pair emission from a normal material - metamaterial junction is investigated in a quantum field theory setting. We consider a pair of photons arising from vacuum fluctuations of the electromagnetic field close to the junction where one photon each comes from the normal and metamat…
Self-healing mechanisms of vacancy defects in graphene and silicene are studied using first-principles calculations. We investigated host adatom adsorption, diffusion, vacancy formation, and revealed atomistic mechanisms in the healing of single, double, and triple vacancies of single-layer graphene and silicene. Sili…
The effect of the addition of protein particles was investigated on the stability of water-in-water emulsions formed by mixing aqueous dextran and poly (ethylene oxide) solutions. Protein particles with hydrodynamic radii ranging from 15 to 320 nm were produced by heating globular proteins in controlled conditions. Th…
Commercial epoxidized cardanol, from cashew nut shell liquid (CNSL), is a biobased epoxide reactant with interesting aromatic structure. Epoxidized cardanol was thoroughly analyzed using 1 H and 13 C NMR, size exclusion chromatography, and titration in order to determine the structure. This epoxidized cardanol was rea…
In an attempt to give a brief introduction to carbon nanotube inkjet printing, this review paper discusses the issues that come along with preparing and printing carbon nanotube ink. Carbon nanotube inkjet printing is relatively new, but it has great potential for broad applications in flexible and printable electroni…
A novel cable-type flexible supercapacitor with excellent performance is fabricated using 3D polypyrrole(PPy)-MnO2 -CNT-cotton thread multi-grade nanostructure-based electrodes. The multiple supercapacitors with a high areal capacitance 1.49 F cm(-2) at a scan rate of 1 mV s(-1) connected in series and in parallel can…
We developed a donor doping technique for β-Ga 2 O 3 by using Si-ion (Si + ) implantation. For the implanted Ga 2 O 3 substrates with Si + =1 × 10 19 –5 × 10 19 cm -3 , a high activation efficiency of above 60% was obtained after annealing in a nitrogen gas atmosphere at a relatively low temperature of 900–1000 °C. An…