Materials Literature
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This paper describes novel molecular dynamics simulations of a model amorphous polymer which resembles polyethylene. Methylene groups are represented as single interaction sites and both torsional and angle bending potentials are included. New parameters for both inter- and intramolecular potentials are used as compar…
We have determined the coercive voltage Ec as a function of thickness d for PZT ferroelectric memories. For thick films (≫ 1μm), Ec ∼ d−1/3 , in accord with the theory of Kay and Dunn [Phil Mag. 7, 2027 (1962)]; for submicron films, Ec ∼ d−4/3 , in accord with Neel's theory for coercive magnetic field Hc in thin magne…
To investigate the effects of angle bending terms on the structure of amorphous silica, three different potential models have been developed for the molecular dynamics simulation of vitreous silica.
High-resolution ac calorimetric data are reported for three polar liquid-crystal systems: octyloxyphenylcyanobenzoxybenzoate (80PCBOB), a mixture of pentylphenylcyanobenzoyloxybenzoate (${\mathrm{DB}}_{5}$CN)+cyanobenzoyloxypentylstilbene (${\mathrm{C}}_{5}$ stilbene), and a mixture of ${\mathrm{DB}}_{6}$CN+${\mathrm{…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDispersion of charge deficits in a tetrahedral sheet of phyllosilicates: analysis from silicon-29 NMR spectraC. P. Herrero, J. Sanz, and J. M. SerratosaCite this: J. Phys. Chem. 1989, 93, 10, 4311–4315Publication Date (Print):May 1, 1989Publication History Published online1…
Gadolinium 1,4,7,10-tetraazacyclododecane-N,N',N",N"'-tetraacetic acid (Gd-DOTA) is the first of a new class of macrocyclic paramagnetic magnetic resonance (MR) contrast agents (gadolinium cryptelates) to be used in clinical practice. Gadolinium-DOTA possesses relaxation properties similar to those of gadolinium dieth…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDirect detection of aluminosilicate species in aqueous solution by silicon-29 and aluminum-27 NMR spectroscopyStephen D. Kinrade and Thomas W. SwaddleCite this: Inorg. Chem. 1989, 28, 10, 1952–1954Publication Date (Print):May 1, 1989Publication History Published online1 May…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHigh-resolution absorption and luminescence spectroscopy of a cyclometalated rhodium(III) complex: [Rh(phpy)2(bpy)+]Arne Zilian, Urs Maeder, Alex Von Zelewski, and Hans U. GuedelCite this: J. Am. Chem. Soc. 1989, 111, 11, 3855–3859Publication Date (Print):May 1, 1989Publicat…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTChiroptical behavior of (acetyl)(ethyl)cellulose liquid-crystalline solutions in chloroformJian Xin Guo and Derek G. GrayCite this: Macromolecules 1989, 22, 5, 2086–2090Publication Date (Print):May 1, 1989Publication History Published online1 May 2002Published inissue 1 May…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructural models for non-oxide chalcogenide glasses. Atomic distribution and local order in the system phosphorus-selenium studied by phosphorus-31 dipolar NMR spectroscopyDavid Lathrop and Hellmut EckertCite this: J. Am. Chem. Soc. 1989, 111, 10, 3536–3541Publication Date…
A dodecaanion (!) is the final step of the reversible electrochemical reduction of 1. This indicates that a drastic increase in the electron storage capacity per total molecule is achievable by suitable linking of porphyrin units. The stepwise reduction of 1 (and an analogous monomer to the hexaanion) proceeds via one…
This paper is part of an ongoing study of the structure sensitivity of ammonia adsorption on platinum. In the work here, the adsorption of ammonia on Pt(111) and Pt(210) are compared using temperature programmed desorption (TPD), single-reflection infrared (IR), electron energy-loss spectroscopy (EELS), and molecular-…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMethane oxidation at room temperature and atmospheric pressure activated by light via polytungstate dispersed on titaniaM. Graetzel, K. R. Thampi, and J. KiwiCite this: J. Phys. Chem. 1989, 93, 10, 4128–4132Publication Date (Print):May 1, 1989Publication History Published on…
Voided growth structures of sputter-deposited films affect strongly their optical and electrical properties. Vanadium dioxide is an interesting material to study effects of film microstructure and nonstoichiometry on electrical properties because its phase transition makes it possible to investigate electrical behavio…
The energy-transfer rate from the Er(3+)(4)I(13/2) level to the Tm(3+)(3)H(4) level (C(11')N(T)) in BaF(2)/ThF(4) fluoride glass is measured and calculated. The results can be used to determine whether rate equations can be used to predict energy-transfer rates.
We have carried out a series of ion dynamics simulations on binary silicate systems ranging from MnO–SiO2, which shows a large liquid–liquid miscibility gap, to K2O–SiO2, which does not unmix even below the stable liquidus. We have used Coulomb attractions plus Born–Mayer–Huggins repulsive pairwise-additive potentials…
Abstract Die Kinetik der entarteten Cope‐Umlagerungen der Titelverbindungen wurden mittels dynamischer 13 C‐NMR‐Spectroskopie gemessen. Die aus den NMR‐Linienformänderungen abgeleiteten Reaktionsgeschwindigkeitskonstanten k lieferten auf der Basis der Eyring‐Gleichung folgende Aktivierungsparameter: Semibullvalen ( 1…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe structure of d0 ML6 complexesSung Kwon Kang, Thomas A. Albright, and Odile EisensteinCite this: Inorg. Chem. 1989, 28, 9, 1611–1613Publication Date (Print):May 1, 1989Publication History Published online1 May 2002Published inissue 1 May 1989https://pubs.acs.org/doi/10.10…
Results are presented for the effects of substitution of Ru, Rh, and Pd for Fe in ${\mathrm{CeFe}}_{2}$. For Rh and Pd the Curie temperature is lowered for up to 10% substitution without change in magnetic character. Ru substitutions produce (for 4% to 8%) the low-temperature loss of ferromagnetism observed for around…
Abstract Polyolefin composites were prepared with CaCO 3 fillers of different specific surface area. The fillers were surface treated with stearic acid between 0 and 100% surface coverage. As an effect of the treatment, surface tension of the fillers and also polymer/filler interaction decreased. The relation between…