Materials Literature
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We propose a novel approach that allows efficient numerical simulation of systems consisting of flexible chain molecules. The method is especially suitable for the numerical simulation of dense chain systems and monolayers. A new type of Monte Carlo move is introduced that makes it possible to carry out large scale co…
The theory of the contact angle of pure liquids on solids, and of the determination of the surface free energy of solids, γs, is reviewed. The basis for the three components γLW s, γ⊕s, and γ⊖s is developed, and an algebraic expression for these properties in terms of measured contact angles is presented. The inadequa…
Introduction to Biotechnical and Biomedical Applications of Poly(Ethylene Glycol) J.M. Harris. Water Structure and PEG Solutions by DSC Measurement K.P. Antonsen, A.S. Hoffman. Molecular Simulation of Protein-PEG Interaction K. Lim, J.N. Herron. PEG Derivatized Ligands with Hydrophobic and Immunological Specificity D.…
X-PLOR is a highly sophisticated computer program that provides an interface between theoretical foundations and experimental data in structural biology, with specific emphasis on X-ray crystallography and nuclear magnetic resonance spectroscopy in solution of large biological macro-molecules. This manual to X-PLOR Ve…
The behavior of solid and liquid matter at high pressures and temperatures is best described in a phase diagram, which shows the regions of stability of different phases of the material. Thanks to the diamond-anvil cell, which has made possible much higher pressures, and to new and very accurate theoretical models and…
We have fabricated epitaxial ferroelectric PbZr0.2Ti0.8O3/YBa2Cu3O7−x heterostructures on single crystalline [001] LaAlO3. Only the (00l) peaks of the PbZr0.2Ti0.8O3 (PZT) film are observed, indicating that the epitaxial, c-axis oriented YBCO film is a good structural template for the heteroepitaxial growth of PZT fil…
CeO2 layers epitaxially grown on (100) silicon substrates by electron-beam evaporation were investigated and proved to have (110) orientation. X-ray diffraction measurements showed the CeO2 layers consist of more than 98% volume fraction of the (110) component. Cross-sectional high-resolution transmission electron mic…
BaTiO3 thin films having a perovskite structure were deposited onto stainless steel and fused quartz substrates by sol-gel processing. Crystalline, transparent, and crack-free films of 5000 Å thickness were fabricated by spinning and post-deposition annealing at a temperature of 600 °C. Ferroelectric properties were c…
Clear fine-structure oscillations in magnetoresistance and torque magnetization are observed at low temperatures in the anisotropic organic superconductor (TMTSF${)}_{2}$${\mathrm{ClO}}_{4}$ as a function of sample orientation in a fixed magnetic field. At 0.1 K, these fine structures appear as resistance minima and t…
The technique of surface light scattering (SLS) is described in detail for readers interested in developing the method. Those not interested in the technique itself will find extensive up-to-date information about the properties of liquid interfaces, as the second part of the book is devoted to exam
Abstract Thermal aging and strain endurance experiments on a filled rubber were performed at several temperatures. The rubber was polyurethane (PU) made from hydroxyl‐terminated polybutadiene (HTPB) with 4,4′‐diphenyl methane disocyanate (MDI). The filler was sodium chloride. The mechanical properties, glass transitio…
Abstract Isophoron diisocyanate (IPDI) ‐based polyester polyurethane (PU) dispersion in water was prepared in a prepolymer mixing process. Dimethylol propionic acid (DMPA), triethylamine (TEA), and triethyl tetramine (TETA) were used, respectively, as potential anionic center, neutralizing agent, and chain extender in…
Dislocations in SrTiO3 deformed plastically by indentation at 900 and 1100 °C are studied by comprehensive transmission electron microscopy. At both 900 and 1100°C all the dislocations studied have Burgers vectors of either 〈100〉 or 〈110〉 type. At 900 °C both types of dislocation are in the glide configuration. On the…
Spatial correlation between the activator ion ${\mathrm{Eu}}^{2+}$ and electron and hole traps generated by x irradiation is thought to play a decisive role in the photostimulated emission process of the storage phosphor BaFBr:${\mathrm{Eu}}^{2+}$. We report the first direct experimental evidence for correlations amon…
We have studied the spreading of liquid drops on a solid surface by molecular-dynamics simulations of Lennard-Jones systems of liquid, vapor, and solid. As the attraction between liquid and solid increases we observe a smooth transition from partial wetting to terraced wetting, with distinct molecular layers spreading…
Basic thermoelectric p-type materials for the medium temperature range (600 to 900 K) are GeTe-based materials. Hot-pressed samples of (GeTe)1−x[(Ag2Te)1-y(Sb2Te3)y]x solid solutions with y = 0.6, y = 0.75 are prepared. Their thermoelectric properties (thermoelectric power S, electric conductivity σ and thermal conduc…
The dynamical properties of randomly cross-linked polymer melts, far above the vulcanization threshold, are studied using molecular-dynamics simulations. The mean-square displacements of the middle and end monomers of the chains as well as the cross-links are considered. The dynamics scattering function S(q,t) as meas…
Pressure-induced amorphization in \ensuremath{\alpha}-quartz has been investigated using constant-pressure molecular-dynamics calculations with the two-body potential of van Beest, Kramer, and van Santen. Both the static properties and the crystalline-to-amorphous phase transition were very well reproduced. Through an…
We have determined the Curie temperature ${\mathit{T}}_{\mathit{c}}$ of ferrimagnetic ${\mathrm{MnFe}}_{2}$${\mathrm{O}}_{4}$ nanoscale particles by means of direct measurement of the magnetization. A considerable enhancement in ${\mathit{T}}_{\mathit{c}}$ compared to the bulk was observed for particles in the size ra…
The temperature dependence of phase mode relaxation frequencies in the SmC A * phase (antiferroelectric phase), SmC γ * phase (ferrielecric phase) and SmC * phase (ferroelectric phase), and the dispersion of the phase mode in the SmC γ * phase were measured by photon correlation technique in R-MHPOBC (C 8 H 17 – –COO–…