Materials Literature
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Molecular dynamics simulations have proven to be accurate in predicting depth distributions of low-energy ions implanted in materials. Free parameters adjusted for every ion-target combination are conventionally used to obtain depth profiles in accordance with the experimental ones. We have previously developed a mode…
The electronic structures and stability of nitrogen nanostructures, nanotubes, and fiberlike nanoneedles of various diameters, formed by units N2m (m = 2-6), were studied by quantum chemistry computational modeling methods. The geometrical structures with various cross-sections and terminal units, their energetic stab…
In this talk we provide an overview of our theoretical and computational work on potential electromagnetic applications of metamaterials. In particular, we focus on the classes of isotropic materials with anomalous values of their effective constitutive parameters, which may be negative, double negative and/or close t…
Manganese oxide thin films were deposited using thermal evaporation from a tungsten boat. Films were deposited under an oxygen atmosphere, and the effects of thickness, substrate temperature, and deposition rate on their properties were investigated. The chemical properties of the films were studied using x-ray photoe…
A series of Shore 80A polyether polyurethanes were synthesized with from 0 to 6% fluoropolymer surface modifying endgroups (SME) to provide the bulk properties of the polyurethane with the surface properties of the fluoropolymer. It was theorized that the fluoropolymer would migrate to the surface, forming a monolayer…
Bulk, Se-rich Ge 0.15 Se 0.85 − x Ag x (0 ⩽ x ⩽ 0.20) glasses show anomalous electrical switching behaviour which is attributed to difference in the thermal conductivities of Ag 2 Se inclusions and GeSe base glass. The present results also show that there is a sharp drop in switching voltage with silver addition, whic…
Effects of microencapsulated chitooligosaccharide addition in milk were evaluated by determination of the efficiency of microencapsulation, cholesterol removal, color, viscosity and sensory properties. Coating material was polyglycerol monostearate (PGMS) and the efficiency of microencapsulation was 88.08% at a 10:1 r…
The effect of molecular mass on the segmental dynamics of poly(methyl acrylate) (PMA) adsorbed on silica was studied using deuterium quadrupole-echo nuclear magnetic resonance (NMR) and modulated differential scanning calorimetry. Samples adsorbed on silica (all about 1.5 mg PMA/m2 silica) were shown to have more rest…
Results of isobaric and isothermal studies of dielectric relaxation in a vitrifying orientationally disordered crystal ${[{(\mathrm{C}{\mathrm{H}}_{3})}_{3}\mathrm{C}(\mathrm{C}{\mathrm{H}}_{2}\mathrm{O}\mathrm{H})]}_{0.70}{[{(\mathrm{C}{\mathrm{H}}_{3})}_{2}\mathrm{C}{(\mathrm{C}{\mathrm{H}}_{2}\mathrm{O}\mathrm{H})}…
We present molecular dynamics simulations of the glass transition in a chemically realistic model of 1,4-polybutadiene (PBD). Around 40 K above the calorimetric glass transition of this polymer the simulations reveal a well-developed two-stage relaxation of all correlation functions. We have analyzed the time-scale se…
A series of secondary ammonium monocarboxylate salts have been prepared by reacting variously substituted cinnamic acids and benzoic acids with dibenzylamine. Gelation tests reveal that 19 salts (9 cinnamates and 10 benzoates) are moderate to good gelators of various organic fluids, including commercial fuels such as…
Low-coordinated gold atoms play a decisive role in the catalytic cycle of low-temperature CO oxidation or the selective oxidation of olefins. A comparative study of argon and oxygen ion-bombarded Au(111) surfaces (see microstructure images) reveals a threefold role of adsorbed oxygen: structure formation, stabilizatio…
In this communication we present a detailed study of the magnetic properties of ordered Ni-Pt alloys. We study the alloys through field-cooled and zero-field cooled dc magnetization, nonlinear ac susceptibility and sound velocity and internal friction experiments. We also present a theoretical analysis of the magnetic…
The subject of this work is new method of the synthesis of biodegradable copolymers compatible with brain tissue. Copolymerization of glycolide with lactide was conducted in solution or in bulk in the presence of LiBu, LiAcac, MgBu(2), Mg(acac)(2) as initiators. In all cases, copolymers with molecular weight of 20000-…
Electronic assemblies rely heavily on soldering to attach components to the interconnect wiring on printed circuit boards and other types of substrates. In response to environmental legislation, the lead-tin alloys commonly used for soldering are being replaced with lead-free alloys and electrically conductive adhesiv…
The two-photon-resonant first hyperpolarizabilities associated with hyper-Rayleigh and hyper-Raman scattering are reported for 4-dimethylamino-4-nitrostilbene in 1,4-dioxane, dichloromethane, acetonitrile, and methanol, and for an ionic analog, 4-N,N-bis(6-(N,N,N-trimethylammonium)-hexyl)amino-4-nitrostilbene dibromid…
LC-MS/MS was used to identify secreted proteins in the Antarctic archaeon Methanococcoides burtonii. Seven proteins possessing a classical class 1 signal peptide were identified in the supernatant from cultures grown at 4 and 23 degrees C. The proteins included a putative S-layer cell surface protein, cell surface pro…
High-resolution electron energy loss spectroscopy was used to investigate the low-energy collective excitations of the $\mathrm{Cu}(111)$ surface. Measurements showed a collective mode with an energy of $1.1\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$. The measured dispersion of the plasmon mode was negative. We suggest th…
Abstract X 1 ‐Y 2 SiO 5 :Eu 3+ and X 1 ‐Y 2 SiO 5 :Ce 3+ and/or Tb 3+ phosphor layers have been coated on nonaggregated, monodisperse, submicron spherical SiO 2 particles by a sol–gel process, followed by surface reaction at high temperature (1000 °C), to give core/shell structured SiO 2 @Y 2 SiO 5 :Eu 3+ and SiO 2 @Y…
Abstract The synthesis, crystal structures, spectroscopic and magnetic properties studies of four trinuclear oxo‐centered carboxylate complexes are reported and discussed: [Cr 3 (μ 3 ‐O){O 2 C(OH)Ph 2 } 6 (H 2 O) 3 ](NO 3 ) · 2H 2 O · 3Me 2 CO ( 1· 2H 2 O · 3Me 2 CO), [Cr 3 (μ 3 ‐O)(O 2 CPh) 6 (H 2 O) 3 ](NO 3 ) · 1.9…