Materials Literature
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The structure, vibrational dynamics and thermodynamics of a chiral surface, Cu(532), has been calculated using a local approach and the harmonic approximation, with interatomic potentials based on the embedded atom method. The relaxation of atomic positions to the optimum configuration results in a complex relaxation…
Self-assembly of optically active gold nanoparticles with varying generations of poly(amidoamine) (PAMAM) dendrimers provides aggregates with controlled interparticle spacing, as determined using small-angle X-ray scattering (SAXS). This structural control provides a method for systematically shifting the surface plas…
The tricarboxylic acid (TCA) cycle plays two essential roles in metabolism. First, under aerobic conditions the cycle is responsible for the total oxidation of acetyl-CoA that is derived mainly from the pyruvate produced by glycolysis. Second, TCA cycle intermediates are required in the biosynthesis of several amino a…
Ion-irradiation-induced modifications of a periodic Pt/C multilayer system containing Fe impurity have been analyzed by transmission electron microscopy (TEM). The multilayer stack with 16 Pt/C layer pairs (period 4.23 nm) was fabricated on a glass substrate. A 2 MeV Au$^{2+}$ ion beam was rastered on the sample to ob…
For a set of fcc metals our total energy calculations, based on many body potentials, show that activation barriers for lateral manipulation of an adatom at a step edge depend on the tip/substrate composition. Of the six homogeneous systems studied, manipulation on stepped Ag(111) showed the lowest energy barrier for…
Polyhydroxyalkanoates (PHAs) are biodegradable aliphatic polyesters, known to be produced by many common microorganisms. Nodax is a recently introduced family of PHA copolymers comprising 3-hydroxybutyrate units and a relatively small amount of other medium chain length 3-hydroxyalkanoate (mcl-3HA) comonomers with sid…
We study the approach to jamming in hard-sphere packings and, in particular, the pair correlation function g(2) (r) around contact, both theoretically and computationally. Our computational data unambiguously separate the narrowing delta -function contribution to g(2) due to emerging interparticle contacts from the ba…
In this work, we investigate the catalytic properties of silver nanoparticles supported on silica spheres. The technique to support silver particles on silica spheres effectively avoids flocculation of nanosized colloidal metal particles during a catalytic process in the solution, which allows one to carry out the suc…
Sulfuric acid hydrolysis of native cellulose fibers produces stable suspensions of cellulose nanocrystals. Above a critical concentration, the suspensions spontaneously form an anisotropic chiral nematic liquid crystal phase. We have examined the effect of reaction time and acid-to-pulp ratio on nanocrystal and suspen…
This book provides a concise and inexpensive introduction for an undergraduate course in glass science and technology. The level of the book has deliberately been maintained at the introductory level to avoid confusion of the student by inclusion of more advanced material, and is unique in that its text is limited to…
The formation of oxygen islands on the Pt(111) surface has been studied as a function of temperature by low energy electron diffraction (LEED) experiments and dynamic Monte Carlo (DMC) simulations. By raising the temperature, the (2 x 2) LEED spot intensity increases gradually and decays after a peak at around 255 K (…
Dislocation-twin interactions were identified by TEM in monazite (monoclinic LaPO4) that was spherically indented at room temperature. Emissary dislocations in front of twin tips were observed. Propagation of dislocation slip bands through twins was also observed. Where possible, slip systems are identified. Formation…
Dendrimers are modified polymers whose architecture is defined by the presence of a central atom or core with multiple branches. These molecules lend themselves to a variety of architectures and uses, including drug delivery and catalysis. The study of the molecular conformations and shapes of dendritic molecules is n…
The phase field microelasticity approach to mesoscale modelling of mobile crystal defects is reviewed. Various defects are modelled in the same theoretical framework, including dislocations, cracks and free surfaces in single crystals, polycrystals and heteroepitaxial films. The model is also applicable to diffusional…
The resistance dislocation loops provide to the glide of dislocations is an important element of several features of plasticity of irradiated metals. In the present work, a dislocation dynamics model based on the elasticity treatment of dislocations, with self-stress effects included, has been used to investigate the…
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…