Materials Literature
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By combination of the large organic cation [ trans -4-(4-dimethylanilino-styryl)- N -methyl-pyridinium with nanocluster anions ([Cd 4 (SC 6 H 5 ) 10 ] 2- for compound 1 and [Cd 4 (SC 6 H 5 ) 6 I 4 ] 2- for compound 2 ), two new hybrids were obtained and the structure of the [Cd 4 (SC 6 H 5 ) 6 I 4 ] 2- cluster was fir…
The Knoop hardness in (001)⟨110⟩ of high-purity synthetic type IIa diamond crystal synthesized under high pressure and high temperature is known to be extremely high. Knoop indenters were prepared from the synthetic type IIa diamonds by taking the tip orientation to the hard crystal orientation of the diamonds, i.e.,…
In Licht gebadet geht der acyclische Rezeptor 1, der ein neutrales Gastmolekül über H-Brücken bindet (1⋅2), eine intramolekulare Anthracen-Photodimerisierung zu einer makrocyclischen Struktur ein. Die damit verbundene drastische Änderung der Struktur von 1 beeinflusst die Bindungseigenschaften der Rezeptorstellen und…
ABSTRACT While fatigue crack growth in vacuum may occur by slip alone, environmental fatigue including crack growth in air is strongly influenced by crack‐tip surface chemistry that adversely affects ductility. Cumulative diffusion, combined with adsorption and chemisorption in the loading half‐cycle may promote insta…
We report inelastic neutron scattering (INS) studies on a series of Mn(12) derivatives, [Mn(12)O(12)(O2CC6F5)16(H2O)4]z, in which the number of unpaired electrons in the cluster is varied. We investigated three oxidation levels: z = 0 for the neutral complex, z = -1 for the one-electron reduced species and z = -2 for…
The complexation chemistry of the protio and lithium bamam complexes (H)bamam- 1 and (Li)bamam- 1 [bamam- 1 = {DippN(Ph)B(N t Bu)C n Bu(N t Bu)}, Dipp = 2,6-diisopropylphenyl] with magnesium is explored. Emphasis is placed on the preparation and characterization of both solvated and unsolvated aryl/alkylmagnesium bama…
We have performed total-energy electronic structure calculations to examine competing structures for the twin boundary, which can form under tensile stress along the c axis. The twin boundary structures are significantly different, most notably in their symmetry. These calculations show that, for all materials studied…
Independent isomeric yield ratios (IYR) of $^{128}\mathrm{Sb}$, $^{130}\mathrm{Sb}$, $^{132}\mathrm{Sb}$, $^{131}\mathrm{Te}$, $^{133}\mathrm{Te}$, $^{132}\mathrm{I}$, $^{134}\mathrm{I}$, $^{136}\mathrm{I}$, $^{135}\mathrm{Xe}$, and $^{138}\mathrm{Cs}$ have been determined in fast neutron induced fission of $^{232}\ma…
In situ first-order Raman scattering was used to study the time evolution of the intratube $\mathrm{C}\ensuremath{-}\mathrm{C}$ bond length of single-walled carbon nanotubes (SWNTs) during slow vapor phase Cs doping. The evolution was followed via changes observed in the scattering from the tangential $(T)$ and radial…
Abstract An in situ semibatch polymerization process for making phenolic resin/montmorillonite clay nanocomposites is developed. It is found that auxiliary mixing in phenol allows intercalation of the monomer and polymer between montmorillonite clay layers. At 2.7% clay by mass the montmorillonite is predominantly exf…
We report a new density functional theory (DFT) for block copolymers and its performance for representing the microscopic structure has been tested with the configurational-bias Monte Carlo simulation. The segmental density profiles are calculated for systems containing short block copolymers, represented by tangent-s…
We discuss a coarse-grained approach to the computation of rare events in the context of grand canonical Monte Carlo (GCMC) simulations of self-assembly of surfactant molecules into micelles. The basic assumption is that the computational system dynamics can be decomposed into two parts-fast (noise) and slow (reaction…
Abstract Poly( L ‐lactide) (PLLA)/poly(butylene succinate‐ co ‐butylene adipate) (PBSA) blends were compounded with Cloisite 25A® (C25A) and C25A functionalized with epoxy groups, respectively. Epoxy groups on the surface of C25A were introduced by treating C25A with (glycidoxypropyl)trimethoxy silane (GPS) to produce…
Disorder in Gd2(Ti(1-y)Zry)2O7 pyrochlores, for y = 0.0-1.0, is investigated by Ti 2p and O 1s near-edge X-ray absorption fine structure spectroscopy. Ti(4+) ions are found to occupy octahedral sites in Gd2Ti2O7 with a tetragonal distortion induced by vacant oxygen sites. As Zr substitutes for Ti, the tetragonal disto…
Internally charged closed-cell polymer electrets exhibit ferroelectric-like behavior and have been called ferroelectrets. They are attractive for soft electroactive transducers, the high compressibility leads to d33 transducer coefficients exceeding those of ferroelectric polymers. A technique for the measurement of t…
We have investigated the energetics of the N vacancy formation in Ti4AlN3 by ab initio calculations. We identify N 2a sites (Wyckoff notation) in Ti4AlN2.75 as the most probable vacancy sites based on the energetics of vacancy formation. Furthermore, Ti4AlN3 does not exhibit any states at the Fermi level. Introducing…
A novel general synthetic strategy, based on a convergent approach, allowed us to prepare a series of conjugated 6,6‘-distyryl-3,3‘-bipyridine derivatives via the Suzuki reaction. First, the key electron-donor and electron-acceptor 6-(arylvinylene)-3-bromopyridine building blocks were synthesized by Knoevenagel- or Si…
Abstract Carrier‐mediated transport plays an important role in the dissolution of carboxylic polymers in aqueous solutions. Experiments with a rotating disk apparatus showed that the rate of polymer dissolution increased significantly with the addition of proton‐carriers over the pH range of 6 to 13. The facilitated d…
Syntheses of poly(alkylene phosphates), with repeating units having two or three methylene groups and phosphoryl groups and mimicking backbones of biomacromolecules, are reviewed. Two major methods elaborated in this laboratory, namely, ring-opening polymerization and transesterification, are described. The resulting…
The early stages of poly(3-hydroxybutyrate) (PHB) accumulation were analyzed in vivo by fluorescence microscopy in Rhodospirillum rubrum, Ralstonia eutropha, and in recombinant Escherichia coli harboring the PHB biosynthesis genes phaCAB of R. eutropha. PHB granules were stained with Nile red and by expression of a ph…