Materials Literature
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Abstract There are various organic and inorganic constituents in kidney stones. Among them, calcium oxalate monohydrate (COM) is the primary inorganic constituent of kidney stones. However, the mechanisms of formation of kidney stones are not well understood. In this regard, a basic study is carried out for better und…
The combination of subgrain- and grain-scale microstructural data collected during in-situ heating experiments and numerical simulations of equivalent microstructural development offers an innovative and powerful tool in the advancement of the understanding of microstructural processes. We present a system that fully…
Abstract The kinetics of propylene oxide polymerization catalyzed by double metal cyanide complexes was studied by means of pressure measurements. The induction periods were determined as the time as the system pressure began to drop and the reaction rates were considered proportional to the slope of pressure decrease…
The newly reported icosahedral quasicrystalline phase approximately Sc(3)Cu(2.1)Zn(12.9) was approached through four synthetic, structural, and EDX analyses of the range of approximants formed by systematic substitutions of 0-4 Zn by Cu in the reported Sc(3)Zn(17) as well as for the corrected Sc(3)Zn(18) (ScZn(6)) com…
The use of high-resolution electron backscatter diffraction in the scanning electron microscope to quantify the volume fraction of recrystallization and the recrystallization kinetics is discussed. Monitoring the changes of high-angle grain boundary (HAGB) content during annealing is shown to be a reliable method of d…
Abstract The effect of grafting level of maleic anhydride (MA) in the maleated polypropylene (PPMA) on the fracture, deformation mechanisms, and mechanical properties of polypropylene (PP) wood flour composites was studied. Tensile strength, elongation at break, and impact strength are noticeably improved with additio…
A new polymorph of NaSbO(3) has been synthesized at 10.5 GPa and 1150 degrees C in a uniaxial split sphere anvil type press (USSA-2000) and recovered back to ambient conditions. The high-pressure form of NaSbO(3) adopts an orthorhombically distorted perovskite structure, isostructural with CaTiO(3), GdFeO(3), and NaTa…
We propose a new microscopic mechanism to explain the unusually fast fusion process of carbon nanotubes. We identify the detailed pathway for two adjacent (5,5) nanotubes to gradually merge into a (10,10) tube, and characterize the transition states. The propagation of the fused region is energetically favorable and p…
The ground-state properties of the perovskites ${\mathrm{PrMnO}}_{3}$ and ${\mathrm{NdMnO}}_{3}$ were investigated by magnetization, magnetic ac susceptibility, and specific heat measurements. A strongly anisotropic behavior has been detected for temperatures below the antiferromagnetic phase transition ${T}_{\mathrm{…
Electron backscatter diffraction (EBSD) and orientation imaging microscopy have become established techniques for analysing the crystallographic microstructure of single and multiphase materials. In certain instances, however, it can be difficult and/or time intensive to differentiate phases within a material by cryst…
Based on first-principles spin-density functional calculations, we find that Co-doped ZnO energetically favors a spin-glass-like state due to antiferromagnetic interactions between transition metal atoms, while ferromagnetic ordering is stabilized by electron doping. We find a short range nature in both antiferromagne…
It has been surprising that with the solid size reduction, the transverse optical (TO) Raman mode shifts to lower frequency and new low-frequency Raman (LFR) acoustic modes are generated and shift to higher frequency upon nanosolid Si formation. Understanding the mechanism behind the TO red shift and the LFR creation…
The remarkably stable SbF(6)(-) salts of the radical cations of bithiophene 1(2T) and terthiophene 1(3T), completely surrounded by bicyclo[2.2.2]octene (BCO) units, were obtained by one-electron oxidation of the neutral precursors with NO(+)SbF(6)(-), and their solid-state structures were determined by X-ray crystallo…
Nanocrystalline (15−30 nm) and submicron-sized (500−600 nm) zirconia (ZrO 2 ) particles are synthesized using the sol−gel technique. The metastable tetragonal phase is stabilized at room temperature within pure ZrO 2 nanodomains of size 15−45 nm having nonspherical morphology. Using thermodynamic analysis, it is revea…
Scanning tunneling spectroscopy of ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ and ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3}$ layered narrow gap semiconductors reveals finite in-gap density of states and suppressed conduction in the energy range of high valence-band states. Electronic structure calculations suggest that the surfac…
We present all-electron density functional study of the geometry, electronic structure, vibrational modes, polarizabilities as well as the infrared and Raman spectra of fullerene-like arsenic cages. The stability of As$_n$ cages for sizes 4, 8, 20, 28, 32, 36, and 60 wherein each As atom is three-fold coordinated is e…
The resistance between arbitrary two nodes in a resistor network is obtained in terms of the eigenvalues and eigenfunctions of the Laplacian matrix associated with the network. Explicit formulas for two-point resistances are deduced for regular lattices in one, two, and three dimensions under various boundary conditio…
We report all-electron, density-functional calculations with large Gaussian polarization basis set of the recently synthesized octahedral B24N24 cage that is perfectly round by symmetry, and boron-nitride (BN) clusters that its existence might suggest. We consider whether it is energetically possible that the two halv…
Crystal structure, magnetic susceptibility, and specific heat were measured in the normal cubic spinel compounds MnSc_2S_4 and FeSc_2S_4. Down to the lowest temperatures, both compounds remain cubic and reveal strong magnetic frustration. Specifically the Fe compound is characterized by a Curie-Weiss temperature Θ_{CW…
We study the influence of the major compensating defects As antisites and Mn interstitials known to occur in the GaMnAs ferromagnetic semiconductor on its structural properties. Our experimental results show that there is a balance between Mn interstitial and As antisite defects, leading to the reduced density of one…