Materials Literature
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We describe a novel analysis method to quantify the Burgers vectors of dislocations in atomistic ensembles and to calculate densities of geometrically necessary and statistically stored dislocations. This is accomplished by combining geometrical methods to determine dislocation cores and the slip vector analysis, whic…
Copper nitride films were prepared on glass and silicon substrates by reactive direct current magnetron sputtering at various N2-gas partial pressures at room temperature. The N2 partial pressure influenced the structural, electrical and optical properties of the deposited films. The X-ray diffraction measurement show…
We present an approach to extract a realistic magnetic entropy value from non-equilibrium magnetization data near the transition temperature of a typical first-order system with a mixed-phase state, influenced by the phase transformation, which is responsible for large values reported, even higher than the theoretical…
Abstract Surface analytical techniques such as XPS, time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS) and contact angle measurements have been applied to investigate the effects of UV/O 3 treatments used to render the original hydrogen termination of ultrananocrystalline diamond/amorphous carbon composite film…
In an effort to develop an understanding of the tribological properties of silicon carbide (SiC) in a cryogenic environment, this contribution reports on the results of the sliding wear properties of the self‐mated SiC in liquid nitrogen (LN 2 ). Two sets of sliding wear tests were conducted in a planned manner in LN…
Abstract Vertically arrayed ZnO nanorods were synthesized by a hydrothermal method on homo‐seed layers deposited using a sol‐gel process and heat‐treated at various temperatures ranging from 400 to 700 °C in air. The effect of the annealing temperatures on nanorod formation was investigated. With increasing temperatur…
Abstract The interaction of Pt with CeO 2 in Pt‐doped cerium oxide layers deposited on a Si wafer at normal and grazing incidence, and on multiwall carbon nanotubes (MWCNTs), was investigated by using X‐ray photoelectron spectroscopy (XPS). 30‐nm‐thick Pt‐doped CeO 2 layers were deposited by rf‐magnetron sputtering of…
Chiral porous materials have attracted burgeoning attention on account of their potential applications in many areas, such as enantioseparation, chiral catalysis, chemical sensors and drug delivery. In this report, chiral mesoporous silica (CMS) materials with various pore sizes and structures were prepared using conv…
The quantification of the interaction between nanoclusters and dislocation motion has received relatively little experimental or theoretical research. In this work, the relationship between nanoclusters and dislocations was investigated by conducting tensile tests at different temperatures for a variety of nanocluster…
Abstract The effect of successive injection moldings on the thermal, rheological, and mechanical properties of a polypropylene impact copolymer (PP) was investigated. The crystal content decreased as the molecular weight decreased due to chain scission with repeated injection molding. The Young modulus and the yield s…
The joint probability distribution function P(E, E(p)), where E and E(p) are the normalized structure factors of the target and of a model structure, respectively, is a fundamental tool in crystallographic methods devoted to crystal structure solution. It plays a central role in any attempt for improving phase estimat…
Density functional theory is used to compare water splitting on MgO(100) and MgO/Ag(100). Adsorption is considered on terraces and step edges. On the terrace, the limits of low and monolayer coverage are explored. The metal support enhances the adsorption energies of isolated OH and H through electron exchange with th…
The reliability of force fields is one of today's major challenges in atomic scale computer simulations. We show how to generate predictive force fields from ab initio simulations in the condensed phase, using maximally localized Wannier orbitals (WO). We derive separately all interaction terms (electrostatic, exchang…
Abstract The structural changes and degradation behaviors of poly( L ‐lactic acid) (PLLA) and poly(ε‐caprolactone) (PCL) sponges were studied by incubation in phosphate buffer solution and compared with those of previously reported poly(lactic‐ co ‐glycolic acid) (PLGA) sponge. The changes of pH, weight, molecular wei…
Single-walled carbon nanotubes grow by decomposition of a carbon-containing precursor gas over metal nanocatalysts. It is known that the shape, size, and chemical nature of the catalysts play significant roles in the nucleation and growth processes. Here, we use reactive molecular dynamics simulations to analyze how t…
A novel dynamic ring‐on‐ring equibiaxial flexural testing technique with single pulse loading capability is established on a modified Kolsky bar. This technique is then utilized to investigate the loading‐rate and surface‐condition effects on the flexural strength of a borosilicate glass. Quasi‐static and dynamic expe…
We have investigated the effects of the strain induced by ferroelectric poling (or the converse piezoelectric effect) on the transport properties of ${\text{LaMnO}}_{3+\ensuremath{\delta}}$ and ${\text{CaMnO}}_{3}$ thin films grown on ferroelectric $0.67\text{Pb}({\text{Mg}}_{1/3}{\text{Nb}}_{2/3}){\text{O}}_{3}\text{…
Abstract Polyhydroxybutyrate (PHB) is a thermoplastic, biodegradable, linear, and semicrystalline polyester synthesized by bacteria; while coir dust, a waste generated during the coconut fiber processing, is a mixture of short fibers and powder. The aim of this work was to prepare and characterize composites based on…
Carbon nanotube synthesis
A stepwise phase transition in the formation of lithium amidoborane via the solid-state reaction of lithium hydride and ammonia borane has been identified and investigated. Structural analyses reveal that a lithium amidoborane-ammonia borane complex (LiNH(2)BH(3).NH(3)BH(3)) and two allotropes of lithium amidoborane (…