Materials Literature
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Within the framework of staircase infinitely deep (SIW) potential well model the effect of dielectric constant mismatch between the size-quantized semiconducting wire, coating and surrounding environment on impurity binding energy is considered. Calculations are done in both the absence and presence of magnetic field…
We present a lattice Boltzmann algorithm for liquid crystal hydrodynamics. The coupling between the tensor order parameter and the flow is treated consistently allowing investigation of a wide range of non-Newtonian flow behavior. We present results for the effect of hydrodynamics on defect coalescence; of the appeara…
We present the first ab initio density functional theory study of the oxygen-terminated Cr2O3 (0001) surface within the local spin-density approximation (LSDA). We find that spin plays a critical role for even the most basic properties of Cr2O3 such as the structure and mechanical response of the bulk material. The su…
We propose the non-accelerator non-low-temperature simulator of quantum-field effects which is based on the feeder circuits with the special feedback. By means of it one can study the field models which contain fundamental concepts in the modern field theory but do not exist in nature in a separate form. Besides, seve…
We study the phase behaviour and structure of model colloid-polymer mixtures. By integrating out the degrees of freedom of the non-adsorbing ideal polymer coils, we derive a formal expression for the effective one-component Hamiltonian of the colloids. Using the two-body (Asakura-Oosawa pair potential) approximation t…
The sonochemical degradation of aqueous solutions of azobenzene and related azo dyes (methyl orange, o -methyl red, and p -methyl red) was performed at 500 kHz and 50 W, under air, O 2, or Ar saturation at 288 K. Reaction products and intermediates were identified by HPLC-ES-MS. Total organic carbon (TOC) was also det…
Highly ordered MCM-41 materials were synthesized using single or mixed alkyltrimethylammonium and alkyltriethylammonium surfactants of alkyl chain lengths from 12 to 22. As determined using combined adsorption/powder X-ray diffraction (XRD) analysis, the obtained samples exhibited pore sizes from 3.2 to 4.8 nm with ab…
Aramids have been known for their high heat resistance and high strength. The alkyl:aryl polyamides are derived from aliphatic primary and secondary diamines, cycloaliphatic secondary diamines, and...
In the context of a continuum theory of crystals with defects, the elastic scalar invariants are functions of the lattice vectors and their spatial gradients which remain invariant under elastic changes of state. In particular, the lattice components of the dislocation density tensor are prototypical of elastic scalar…
We employ classical Molecular Dynamics simulations to study the cooperative dynamics of two low molecular weight glass-formers, propylene carbonate and salol. The length scales of dynamic heterogeneities are estimated. After appropriate scaling both glass-formers display a similar temperature dependence of this length…
We present a Monte Carlo (MC) and numerical self-consistent field (NSCF) study of end-tethered polymers in good solvent, for surface coverages found in most experiments. Properties of the system, including the layer thickness, are calculated as functions of the degree of polymerization and surface density of the chain…
Using dynamic light scattering, we investigated supersaturated aqueous solutions of hen egg white lysozyme. We could observe the formation of aggregates only in solutions, from which crystals grew within a few days. The aggregates were grouped into smaller “units” and larger “clusters.” The units consisted of a few mo…
Superabsorbent polymers (SAPs) are characterized by their ability to absorb and retain unusually large amounts of water and body fluids [1]. As these materials are dry substances and act as gelling...
An analysis of the electronic structure of the high-spin 3d7 Co(II) ion in the approximately octahedral Co(II)(acac)2(H2O)2 complex is presented in terms of crystal fields of descending symmetry from octahedral to orthorhombic. The energies and wave functions resulting from the interplay of these fields with the spin–…
Fabrication of micro surface morphology of cell culture substrates is one of the current topics in biomaterials research. Recently we found that regular honeycomb structures with micrometer scale dimensions can be fabricated by simple casting of a dilute solution of amphiphilic polymers on solid substrates. The honeyc…
As we are approaching the 21st century, the plastics industry may be witnessing a paradigm shift—a move from an all-petroleum-based industrial economy to one that encompasses a broader base of mate...
We consider the disordering dynamics of an interacting binary alloy with a small admixture of vacancies which mediate atom-atom exchanges. Starting from a perfectly phase-segregated state, the system is rapidly heated to a temperature in the disordered phase. A suitable disorder parameter, namely, the number of broken…
Betaines (a particular class of amphoteric surfactants) are commonly used as foam boosters in various products to improve their foamability and foam stability. Foaming media often contain dispersed drops of silicone or hydrocarbon oil, which act as foam destruction agents (antifoams). A complementary set of experiment…
Thermodynamical fluctuations of temperature in mirrors of gravitational wave antennae are transformed through thermal expansion coefficient into additional noise. This source of noise, which may also be interpreted as fluctuations due to thermoelastic damping, may not be neglected and leads to the necessity to reexami…
The packing of alpha-helices in proteins is restricted by both the principle of close packing and the chemical nature of side chains. As a result, (1) alpha-helical surfaces forming the interface should be complementary to each other, (2) hydrophobic stripes of the alpha-helices should fit together like pieces of a ji…