Materials Literature
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Here we find through computer simulations and theoretical analysis that the low temperature thermodynamic anomalies of liquid water arises from the intermittent fluctuation between its high density and low density forms, consisting largely of 5-coordinated and 4-coordinated water molecules, respectively. The fluctuati…
Thermochemical analyses of gaseous equilibrium data involving the species TiCl, TiCl(2), and TiCl(3) were revised with the aid of more recent information on the low-lying electronic states, yielding more reliable values for the enthalpies of formation, Delta(f)H(o)(298), of 40.9, -49.0, and -121.5 kcal mol(-1), all +/…
Conventional drying of the fibers from oil palm empty fruit bunches (EFB) using flue gas from diesel burners frequently causes browning and dust explosion. Replacing the drying medium with superheated steam is expected to improve the quality of EFB fibers as well as improve the safety of the dryer operation. In this s…
We report here the use of micrometer-sized silver (microAg) powders to enhance the fluorescence emission of rhodamine B isothiocyanate (RhBITC). Our findings clearly show that the RhBITC displays up to a 36-fold increase in fluorescence emission intensity when RhBITC-labeled poly(allylamine hydrochloride) (RhBITC-PAH)…
Two series of thiol-modified poly(ethoxyethyl glycidyl ether) with different chain-end groups and molecular weights (PT-PEEGE-SH and Bu-PEEGE-SH), which undergo lower critical solution temperature (LCST)-type phase separation in an aqueous milieu, are grafted onto gold substrates through Au-S bonding. The water wettab…
We show that the relative stability of the nematic tetratic phase with respect to the usual uniaxial nematic phase can be greatly enhanced by clustering effects. Two-dimensional rectangles of aspect ratio kappa interacting via hard interactions are considered, and the stability of the two nematic phases (uniaxial and…
Second-harmonic generation spectra for a wide range of carbon nanotubes are computed within a nonorthogonal tight-binding approach. It is demonstrated that a broken $\ensuremath{\pi}\ensuremath{-}{\ensuremath{\pi}}^{\ensuremath{\ast}}$ symmetry is a prerequisite for a nonvanishing nonlinear response. We study the diam…
An Nd 0.5 Ca 0.5 MnO 3 (NCMO) sample (average diameter ∼45 nm) is synthesized by the sol–gel method. The temperature dependence of magnetization indicates that the charge order state is suppressed and a ferromagnetic (FM) transition occurs at ∼100 K. In addition, the magnetic hysteresis loop at 10 K under a cooling fi…
Resonant inelastic x-ray scattering (RIXS), x-ray absorption spectroscopy and x-ray excited optical luminescence (XEOL) have been used to measure element specific filled and empty electronic states over the Si L(2,3) edge of passivated Si nanocrystals of narrow size distribution (diameter 2.2 ± 0.4 nm). These techniqu…
This review reports a systematic investigation, carried out on the Cambridge Crystallographic Database (CSD), on the structural features of iminoalkyl-phenols (or naphthols) as well as azo-phenols (or naphthols). All these compounds form N-H … O/O-H … N intramolecular hydrogen bonds assisted by resonance (RAHB) in tau…
()Pb(Fe0.5Nb0.5)O3-xPb(Zr0.2Ti0.8)O3 (PFN-PZT, x = 0.75, 0.80, 0.85) ferroelectric ceramics were prepared by conventional solid-state reaction method via the wolframite precursor route. XRD measurements confirmed that the synthesized PFN-PZT ceramics are of pure tetragonal perovskite structure. With the increase of Pb…
Utilization of recycled polypropylene obtained from post-consumer products and fly ash particles, obtained as a by-product from thermal power plants, has environmental as well as economical benefits for society. A valuable addition can be made to these waste materials by converting them into composite materials. In th…
The results of parallel kinetic Monte Carlo (KMC) simulations of the room-temperature coarsening of Ag(111) islands carried out using a very large database obtained via self-learning KMC simulations are presented. Our results indicate that, while cluster diffusion and coalescence play an important role for small clust…
We studied the radial collapse of single-walled carbon nanotubes (CNTs) on the Cu 2 O surface using molecular dynamic simulations. When the diameter of CNTs exceeds a threshold, the CNTs approach the Cu 2 O surface and collapse spontaneously by the van der Waals force between the CNTs and the Cu 2 O surface. Because t…
A new method for synthesizing gold, nickel, and cobalt metal nanoparticles at room temperature from metal salts employing plasmid DNA in a toroidal topology as a sacrificial mold is presented. The diameter of the toroidal DNA drives the formation and size of the nanoparticle, and UV light initiates the oxidation of th…
In this paper, we review a host of methods used to model amorphous materials. We particularly describe methods which impose constraints on the models to ensure that the final model meets a priori requirements (on structure, topology, chemical order, etc). In particular, we review work based on quench from the melt sim…
The effect of partial substitution of In by X = Si, Ge and Al on the structural, electrical and magnetocaloric properties of Ni50Mn 35In15 Heusler alloys was studied using x-ray diffraction, resistivity, magnetization and thermal expansion measurements. It was observed that the presence of X atoms (∼7% X) at In sites…
Investigations of crystal structure and magnetic properties of Bi0.8(Gd1−xBax)0.2FeO3 (x = 0, 0.5, 1) samples have been performed. The Bi0.8Gd0.2FeO3 and Bi0.8Ba0.2FeO3 compounds have been shown to crystallize in the polar space groups Pn21a and R3c, respectively. It has been found that no continuous series of solid s…
Novel silica-coated Tb(III) nanoparticles with high luminecsence were synthesized using the reverse microemulsion procedure. The quenching of luminescent properties of these nanoparticles can be achieved by ion exchange and energy transfer mechanisms. The quenching through the ion exchange of Tb(III) by H+ or La(III)…
Magnetic tunnel junctions (MTJs) using epitaxially grown (100)-oriented and (110)-oriented Co2FeSi Heusler alloy bottom electrodes and amorphous Al-oxide barriers were fabricated. The tunnel magnetoresistance (TMR) ratios were 80% at 2 K and 48% at room temperature for the MTJ with the (100)-Co2FeSi bottom electrode.…