Materials Literature
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We evaluate the electronic self-energy Sigma(E) at an Al(111) surface using the GW space-time method. This self-energy automatically includes the image potential V_{im} not present in any local-density approximation for exchange and correlation. We solve the energy-dependent quasiparticle equations to obtain surface s…
The magnetic properties of [Ti(OH2)6]3+ within CsTi(SO4)2⋅12H2O and doped into a range of isostructural diamagnetic lattices, has been reinvestigated using electron paramagnetic resonance (EPR) and magnetic susceptibility measurements. Whereas previous attempts to rationalise the variation of the magnetic susceptibili…
Simulations on a Lennard-Jones computer glass are performed to study effects arising from defects in glasses at low temperatures. The numerical analysis reveals that already a low concentration of defects may dramatically change the low temperature properties by giving rise to extrinsic double-well potentials (DWP’s).…
Slow structural relaxations can complicate the interpretation of thermodynamic measurements on glass-forming liquids. Here we demonstrate using model calculations that structural recovery can lead to an apparent frequency-dependent heat capacity in ac calorimetry experiments. The model is shown to describe the complex…
Molecular dynamics simulations are described for liquid crystal molecules composed of two Gay-Berne particles connected by an eight-site Lennard-Jones alkyl chain. Calculations have been carried out for 512 molecules in the NVE and NPT ensembles for simulation times of up to 6.4 ns. The system exhibits the sequence of…
Atomic-force pictures reveal a heterogeneous microstructure at the surface of glassy layers which should be similar to one of the many equivalent microstructures a liquid is running through. These microstructures are described with the aid of a kinetic model of reversible aggregation which goes back to formulations as…
The electronic structure of two series of small titanium oxide clusters, TiOy (y = 1−3) and (TiO2)n (n = 1−4), is studied using anion photoelectron spectroscopy. Vibrationally resolved spectra are obtained for TiO− and TiO2−. Six low-lying electronic states for TiO are observed with five of these excited states result…
Toluene diisocyanate-based polyurethane iniferters containing tetraphenyl-ethane groups in between polyurethane blocks were prepared by the reaction of isocyanate-terminated prepolymers and 1,1,2,2-tetraphenyl-1,2-ethanediol. When these iniferters were decomposed in the presence of styrene, polyurethane-polystyrene mu…
The effects of styrene-co-acrylonitrile resin (AS) on the mechanical properties, morphology, and plasticizing and rheological behaviors of poly(vinyl chloride)/chlorinated polyethylene(PVC/CPE) blends are studied. The results show that the impact strength and the tensile strength are all increased and the plasticizing…
A series of novel poly(phthalazinone ether sulfone ketone)s was synthesized from bis(4-fluorophenyl) ketone, bis(4-chlorophenyl)sulfone, and 4-(4-hydroxybenzyl)-2,3-phthalazin-1-one through nucleophilic substitution polycondensation. The synthesized polymers exhibited surprisingly high glass transition temperatures an…
Wood fiber of aspen was used as a reinforced filler in linear low-density polyethylene (LLDPE). To improve the compatibility between the wood fiber and the LLDPE matrix, the wood fiber was treated with titanate coupling agents (i.e., TC-PBT and TC-POT) or grafted by acrylonitrile. Both treatments resulted in an improv…
This article reviews the most important achievements in the studies of the compositional (chemical) and magnetic ordering effects in the surface region of single-crystal binary alloys with different bulk structures. These alloys include the non-magnetic and magnetic concentrated substitutional binary systems which hav…
Polymer films of poly(ethylene terephthalate), polypropylene, and cellophane were surface treated with tetrafluoromethane plasma under different time, power, and pressure conditions. Contact angles for water and methylene iodide and surface energy were analyzed with a dynamic contact angle analyzer. The stability of t…
A dislocation moving through a quasicrystal is leaving in its wake a fault denoted phason wall. For a two-dimensional model quasicrystal the disregistry energy of this phason wall is studied to determine possible Burgers vectors of the quasicrystalline structure. Contrary to periodic crystals, the disregistry energy i…
Poly(lactic acid) (PLA) and poly(ethylene glycol) (PEG) were melt-blended and extruded into films in the PLA/PEG ratios of 100/0, 90/10, 70/30, 50/50, and 30/70. It was concluded from the differential scanning calorimetry and dynamic mechanical analysis results that PLA/PEG blends range from miscible to partially misc…
Citrate esters were used as plasticizers with poly(lactic acid) (PLA). Films were extruded using a single-screw extruder with plasticizer contents of 10, 20, and 30% by weight. All of the citrate esters investigated were found to be effective in reducing the glass transition temperature and improving the elongation at…
The crystal structure and magnetic properties of the α- Al 2 O 3 and γ- Al 2 O 3 samples were investigated. The α- Al 2 O 3 and γ- Al 2 O 3 powders have the trigonal and cubic symmetries, respectively. Moreover, the α- Al 2 O 3 powders have better crystallinity than γ- Al 2 O 3 material. A peculiar magnetic behavior i…
Abstract Since the arrival of the transistor in 1947, research in hot electrons, like any field in semiconductor research, has grown at a stunning rate. From a physicist's point of view the understanding of hot electrons and their interactions with the lattice has always been a challenging problem of condensed matter…
We emphasize the importance of choosing an appropriate correlation function to reduce numerical errors in calculating the linear-response function as a Fourier transformation of a time-dependent correlation function. As an example we take dielectric functions of silicon crystal calculated with a time-dependent method…
The mean-field theory for lossy nonlinear composites, described by complex and field-dependent dielectric functions, is presented. By using the spectral representation of linear composites with identical microstructure, we develop self-consistent equations for the effective response. We examine two types of microstruc…