Materials Literature
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The complexity of materials has long thwarted efforts to understand their failure. But evidence that defects--microscopic impurities and dislocations in a material9s crystal structure--play a key role in the evolution of cracks has led computer modelers to believe that defects may be the key to predicting when, where,…
A morphological prediction of the polar crystal morphology of the molecular ionic solid sodium chlorate is presented. This prediction uses interatomic potential calculations that employ surface-specific attachment energy calculations associated with an ab initio calculation of surface charges via a Hartree−Fock calcul…
An idea to search for a novel infrared NLO crystal from insulating compounds is presented. CsGeCl<SUB>3</SUB> has been synthesized by a modified route, and characterized by X-ray powder diffraction. This insulating compound with a room temperature conductivity of 5 X 10<SUP>-9</SUP> Scm<SUP>-1</SUP> (compressed pellet…
The new pentadentate binucleating ligands 2,6-Bis[N-(3,5-dimethyl-2-hydroxybenzyl)-N-methylaminomethyl]-4-chlorophenol, H(3)L(1), and 2,6-bis[N-(3,5-dichloro-2-hydroxybenzyl)-N-cyclohexylaminomethyl]-4-methylphenol, H(3)L(2), and their binuclear copper(II) complexes of the general formulas [Cu(2)L(1)(X)] (X = OMe, OH,…
A new series of mixed borates of rare-earth elements and calcium with the composition R<SUB>2</SUB>CaB<SUB>10</SUB>O<SUB>19</SUB> (where R represents rare-earth element) has been identified in the system R<SUB>2</SUB>O<SUB>3</SUB>-CaO-B<SUB>2</SUB>O<SUB>3</SUB>. These isostructural compounds exhibit a powder second ha…
A new NLO crystal K<SUB>2</SUB>Al<SUB>2</SUB>B<SUB>2</SUB>O<SUB>7</SUB> (Potassium Aluminum Borate, KAB) has been discovered. The material crystallizes in the Trigonal system with a equals 8.5669(8) Angstrom, C equals 8.467(1) Angstrom and Z equals 3, KAB possesses similar space arrangement of SBBO. KAB crystal with d…
A fixed bed reactor under argon flow was used to pyrolyze small samples of low- (LDPE) and high-density (HDPE) polyethylene. A special gas-phase sampling technique was used to determine the composition of products eluted from the reactor as a function of temperature and time. Capillary gas chromatography was used to d…
Velocity fields were measured below two parallel, rectangular air nozzles. The following five die (nozzle) types were tested: (1) a die where the jets met at a 60° angle and the die tip was blunt, (2) a die with a 60° angle and a sharp tip, (3) a die with a 70° angle and a sharp tip, (4) a sharp 60° die with an inset,…
A close to planar conformation is established for 2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine (M−H−P) by crystal structure determination. For 2-(4-hexoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine (H−MeO−P), hydrophobic interaction between the long hexoxy groups enforces rotation of the dialkoxyphenyl ring at C6…
Two Sn(IV) corroles were synthesized and electrochemically examined. The investigated compounds are represented as (OEC)Sn(C(6)H(5)) and (OEC)SnCl, where OEC = trianion of 2,3,7,8,12,13,17,18-octaethylcorrole. (OEC)Sn(C(6)H(5)) represents the first example of a sigma-bonded metallocorrole which does not undergo a meta…
A detailed analysis of the microstructural properties of nanocrystalline zinc oxide powders produced by thermal decomposition of four different precursors (hydroxide nitrate, oxalate, hydroxide carbonate, and acetate) is described. The analysis is based on the modern developments of X-ray powder diffraction line broad…
A general equation is presented for the actual contact angle on a solid surface in a three-dimensional setting. The solid surface may be rough or heterogeneous or both. The effects of the existence of line tension and its variation with the position of the contact line are also included. It is shown that when line ten…
Multielement nanotubes comprising multiple phases, with diameters of a few tens of nanometers and lengths up to 50 micrometers, were successfully synthesized by means of reactive laser ablation. The experimentally determined structure consists of a beta-phase silicon carbide core, an amorphous silicon oxide intermedia…
This paper reports a systematic investigation of the growth and attachment of small gold nanoparticles to the functionalized surfaces of larger silica nanoparticles. Dilution of the gold nanoparticles in mixtures of water and ethanol led to the self-assembly of gold nanoparticles in aggregates of regular size and shap…
Anhydrous In(CN)(3) and In(1)(-)(x)()Ga(x)()(CN)(3) phases with empty Prussian-blue-type structures have been prepared via low-temperature solution methods utilizing molecular templating agents. Quantitative X-ray powder diffraction was used to refine the In(CN)(3) cubic structure in which In is octahedrally surrounde…
The structure of CePS 4 has been determined from single-crystal X-ray diffraction data ( I 4 1 / acd space group, a = b = 10.9228(3) Å, c = 19.3998(6) Å, V = 2314.5(2) Å 3, Z = 16). The refinement, conducted from 547 independent reflections ( I > 3σ( I ) and 30 variables) led to R F (%) = 1.83 and R wF (%) = 2.36. Dif…
Electrooptic and optical characteristics of polymer-stabilized ferroelectric liquid crystal (PSFLC) materials prepared under different conditions were characterized. Polymerization behavior and segregation properties were also investigated. The rate of polymerization during formation of PSFLCs increases significantly…
The high-pressure behavior of layered V 2 O 5 is investigated using in situ Raman spectroscopy in a diamond anvil cell. Upon compression, the mode associated with the vanadyl V O double bond at 997 cm - 1 softens and vanishes at about 10 GPa. Above 7 GPa, additional modes appear in the V−O stretching region, at lower…
The 5-oxaporphyrin macrocycle is a modified porphyrin (with an oxygen atom replacing a meso-methine unit) that is produced during heme degradation in biological and chemical systems. We have undertaken an investigation into the chemical reactivity of metal complexes of this macrocycle. Here we report that the diamagne…
The surface state and active sites of a fresh Mo 2 N/Al 2 O 3 were investigated by FTIR, volumetric chemisorption, and TPD-MS techniques. It has been found that adsorption properties of CO on the fresh sample are quite different from those of the reduced passivated one. For reduced passivated Mo 2 N/Al 2 O 3, the IR s…