Materials Literature
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A variety of machine learning algorithms, including hierarchical clustering, decision trees, k -nearest neighbours, support vector machines and bagging, were applied to construct models to predict the molecular weight of the polymers produced by a set of 96 homogeneous catalysts. The goal of the study was to develop m…
Abstract Positively charged silver nanoparticles capped by cetyltrimethyl ammonium bromide (CTAB) are prepared in aqueous solution. The structure of capping agents on Ag particles is systematically characterized by Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), and thermal gra…
Rapid characterization of titanium microstructural features for specific modelling of mechanical properties, Searles, T, Tiley, J, Tanner, A, Williams, R, Rollins, B, Lee, E, Kar, S, Banerjee, R, Fraser, H L
High molecular weight poly( p -hydroxystyrene) (PHS) was dendronized in high yield by the divergent grafting of aliphatic polyester dendrons using acetal and ketal protected anhydride derivatives of bis(hydroxymethyl)propionic acid. Relatively low polydispersities (PDI = 1.1−1.3) were maintained throughout the dendron…
Self-assembly is one of nature's mechanisms by which higher order structures are obtained. Two of the main driving forces for self-assembly, hydrophobic interactions and hydrogen bonding, are both present within amphiphilic peptides. Here, it is demonstrated how the intricately interconnected folding and assembly beha…
The process of combinatorial materials development couples parallel production of large arrays of compositionally varying samples together with measurements of their properties. The diverse spectrum of functionalities in materials represents a significant challenge in high-throughput characterization, often involving…
Abstract Photoluminescence (PL) efficiency of CdTe nanocrystals was investigated as a function of the ratio of surfactant (thioglycolic acid, TGA) to Cd2+ used in aqueous preparation. When the ratio was 1.3, a maximum PL efficiency of 65% was obtained. Within our knowledge, this value is the highest ever reported for…
We demonstrate the feasibility of ultrahigh-density probe recording in chalcogenide-based phase change media. The multilayer medium has been optimized with respect to electrical, thermal, and tribological requirements. Design of the multilayer takes into account the nonlinear dependence of the electrical properties of…
Accurate ab initio methods for performing quantum mechanical calculations have been available for many years, but their speed, complexity and instability have generally constrained researchers to studying only a few systems at a time. However, advances in computer speed and ab initio algorithms have now created fast a…
Lightly phosphorus-doped {111} homoepitaxial diamond films have been grown by microwave plasma-assisted chemical vapor deposition under optimized growth conditions. The Phosphorus concentration in the film can be controlled at a low doping level of the order of 1016cm−3. N-type conductivity of the films with phosphoru…
The ability to precisely place nanomaterials at predetermined locations is necessary for realizing applications using these new materials. Using an organic template, we demonstrate directed growth of zinc oxide (ZnO) nanorods on silver films from aqueous solution. Spatial organization of ZnO nanorods in prescribed arb…
We present results of kinetic lattice Monte Carlo (KLMC) simulations of substitutional arsenic diffusion in silicon mediated by lattice vacancies. Large systems are considered, with 1000 dopant atoms and long range \textit{ab initio} interactions, to the 18th nearest lattice neighbor, and the diffusivity of each defec…
A detailed analysis of damping and noise due to a {\it sd}-interaction in a thin ferromagnetic film sandwiched between two large normal metal layers is carried out. The magnetization is shown to obey in general a non-local equation of motion which differs from the the Gilbert equation and is extended to the non-adiaba…
The palladium-catalyzed liquid-phase reaction of benzyl alcohol to benzaldehyde was investigated in the presence and absence of oxygen by attenuated total reflection infrared (ATR-IR) spectroscopy. The 5 wt % Pd/Al2O3 catalyst was fixed in a flow-through ATR-IR cell serving as a continuous-flow reactor. The reaction c…
Control over the synthesis of monodisperse silica particles up to mesoscopic scale is generally made difficult due to intrinsic limitation to submicrometric dimensions and secondary nucleation in seeded experiments. To investigate this issue and overcome these difficulties, we have implemented single step processing b…
After exposure to ionizing irradiation, mineral zircon exhibits thermoluminescence (TL), which can be used to calculate the irradiation dose and the age of natural samples. Different aspects of the dating procedure based on zircon TL, including laboratory added irradiation at room and elevated temperatures, fading and…
We propose a new procedure in biological cryocrystallography, using the laser-ablation technique. This is the first report on the successful processing of cryo-cooled crystals to create a “protein crystal ball” that is conducive to X-ray diffraction (XRD) data collection. Pulsed UV laser soft ablation (PULSA) modifies…
The effects of end-group balance and moisture level on melt-phase polycondensation reactions were investigated using nylon 612. The polycondensation reaction was determined to be first-order in amine ends and first-order in carboxyl ends at the relatively high temperature (284 °C) and low water concentration condition…
The chemical depth profile of the passive oxides formed on a stainless-steel surface (type 430, Fe–16.3%Cr) in pH 8.4 borate solution was obtained quantitatively by in situ anomalous x-ray reflectivity. The passive film consists of a Cr oxide inner layer and a Fe∕Cr oxide outer layer. The absence of Fe oxide underneat…
Recent experiments indicate that liquid crystals can be used to optically report the presence of biomolecules adsorbed at solid surfaces. In this work, numerical simulations are used to investigate the effects of biological molecules, modeled as spherical particles, on the structure and dynamics of nematic ordering. I…