Materials Literature
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Abstract The easy, low‐cost modification of the polarity of low‐density polyethylene (LDPE) and high‐density polyethylene (HDPE) through blending with oxidized Fischer–Tropsch wax was investigated. A 10 wt % concentration of the wax increased the polar component of the total surface free energy 10 times for LDPE and 4…
The evolution of the grain boundary character distribution (GBCD) of severely deformed commercial purity Zr was studied by experiment as well as computer simulation. The severe plastic deformation was performed by equal channel angular pressing (ECAP) at 350°C using a die with 90°/20°. Through a repetitive operation,…
An experimental investigation of the free-radical high-temperature (>300 °C) polymerization of styrene/divinyl benzene in a steady-state continuous-stirred tank reactor is reported. Under these conditions, backbiting followed by β-scission, which is the dominant chain degradation mechanism, is very aggressive. This al…
We have produced and assembled palladium (Pd) nanoparticles in two-dimensional (2-D) periodic arrays in nanoscales by using block copolymer (BC) thin films as templates. A symmetric diblock copolymer of poly(methyl methacrylate)- block -poly(2-hydroxyethyl methacrylate) (PMMA- b -PHEMA) was coated on a Si-wafer by dip…
We establish, through coarse-grained computation, a connection between traditional, continuum numerical algorithms (initial value problems as well as fixed point algorithms), and atomistic simulations of the Larson model of micelle formation. The procedure hinges on the (expected) evolution of a few slow, coarse-grain…
The microstructure and magnetic properties of Ge:Fe thin films grown by molecular-beam epitaxy have been studied by transmission electron microscopy and superconducting quantum interference device magnetometry. Films were deposited on GaAs(001) at substrate temperatures (TS) ranging from 70to400°C. Nanoparticles of fe…
Abstract A series of polymer–clay nanocomposite materials, consisting of organo‐soluble polyimide (ODA‐BSAA) matrix and dispersed nanolayers of inorganic montmorillonite clay, were successfully prepared by solution dispersion technique and subsequently characterized by FTIR, powder X‐ray diffraction patterns, transmis…
We report atomistic studies of the deformation mechanisms in the crack tip region during low temperature fracture of bcc Fe single crystals. The large-scale simulations use empirical potentials to study the crack tip response. The twins are formed by the emission of partial dislocations in adjacent slip planes of the…
The wetting and the interfacial chemistry of titanium, aluminium, and silver films on hydroxylated$\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{Al}}_{2}{\mathrm{O}}_{3}(0001)$ surface have been studied in situ during the growth of the films. The wetting was probed by surface differential reflectance and the chemis…
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…