Materials Literature
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Commonly used semilocal density functional approximations for the exchange-correlation energy fail badly when the true two dimensional limit is approached. We show, using a quasi-two-dimensional uniform electron gas in the infinite barrier model, that the semilocal level can correctly recover the exchange-correlation…
Voltage-controlled resistive switching is demonstrated in various gap systems on SiO2 substrate. The nanosized gaps are made by different means using different materials including metal, semiconductor, and metallic nonmetal. The switching site is further reduced by using multi-walled carbon nanotubes and single-walled…
Nowadays nanotechnology allows to scale-down various important devices (sensors, chips, fibres, etc), and, thus, opens up new horizon for their applications. Nevertheless, the efficiency most of them is still based on the fundamental physical phenomena, such as resonances. Thus, the understanding of the resonance phen…
Semilocal density functionals for the exchange-correlation energy are needed for large electronic systems. The Tao-Perdew-Staroverov-Scuseria (TPSS) meta-generalized gradient approximation (meta-GGA) is semilocal and usefully accurate, but predicts too-long lattice constants. Recent "GGA's for solids" yield good latti…
In recent work, generalized gradient approximations (GGA's) have been constructed from the energy density of the Airy gas for exchange but not for correlation. We report the random phase approximation (RPA) conventional correlation energy density of the Airy gas, the simplest edge electron gas, in which the auxiliary…
We consider current-induced domain wall motion and, the reciprocal process, moving domain wall-induced current. The associated Onsager coefficients are expressed in terms of scattering matrices. Uncommonly, in (Ga,Mn)As, the effective Gilbert damping coefficient $α_w$ and the effective out-of-plane spin transfer torqu…
Purpose The purpose of this paper is to clarify the destabilisation mechanism that occurs with two types of ferritic corrosion‐resistant steel during the welding cycle. Design/methodology/approach A series of experimental weld joints was made to verify the actual response of non‐stabilised corrosion‐resistant steel, a…
The transmembrane protein FeoB plays a key role in ferrous iron acquisition in prokaryotes. The N-terminal domain of FeoB from Methanococcus jannaschii was overproduced, purified to homogeneity and crystallized in the presence of GTP and magnesium. The native protein crystallized in a tetragonal space group and the cr…
This paper provides a general framework for studying the yellowing tendency of ozonated cotton fabric. Yellowing tendency of ozonated cotton fabric and ways to prevent this situation was examined extensively. For this purpose, five different treatments (hot/cold rinsing, washing, reductive washing, catalase treatment)…
A new method to reclaim thermoset polyurethane (PU) foam by thermo-mechanical degradation using a batch Drais mixer was investigated, and the performance of reclaimed PU in blends with polyamide-12 (PA-12) or thermoplastic polyurethane (TPU) was studied. The reclamation method used disrupts the crosslinked structure o…
We describe a detailed photon correlation Fourier spectroscopy (PCFS) study of a single CdSe/ZnS nanocrystal at 10 K. PCFS provides the temporal and spectral resolution that is necessary for such a fast spectrally diffusing emitter. In the emitter spectrum, we distinguish a main 6 μeV zero-phonon line, the one- and tw…
In this study, three different microcellular polyurethane elastomers (MPUE) based on 4,4'-diphenylmethane diisocyanate with different rigid segment contents are prepared (Formulations 1, 2, and 3 with 32, 35, and 42% of rigid segment content, respectively). The MPUE are obtained through a two-step method using a prepo…
Abstract In the present study, the effect of electron beam irradiation on the morphological, thermal, and mechanical properties of waste polyamide copolymer (WPA‐66/6) blended with different contents of acrylonitrile butadiene rubber (NBR) were studied. The prepared blends were subjected to irradiation doses up to 150…
In this study, a new approach for genetic algorithm (GA) is proposed and compared with conventional GA (CGA) in the weight optimisation of a 2-MVA salient pole synchronous machine. The main differences between the two algorithms are that, in the newly proposed method, individuals are paired and crossed over based on t…
A theoretical model is proposed for elastic stress relaxation of a buried strained cylindrical inhomogeneity, which assumes the edge misfit dislocation dipole formation in the soft matrix at some distance from the interface. The critical radius of the inhomogeneity for the formation of the edge misfit dislocation dipo…
The purpose of this study was to morphologically demonstrate the presence of octacalcium phosphate in the dental calculus by judging from the crystal lattice image and its rapid transformation into apatite crystal, as part of our serial studies on biomineral products. We also aimed to confirm whether the physical prop…
The adsorption of atomic Au on the (001) surface of TiC, ZrC, HfC, VC, NbC, TaC, and delta-MoC and the mechanism of diffusion of this adatom through the surface have been studied in terms of a periodic density functional theory based approach. In all the cases, the Au adsorption energies are in the range of 1.90-2.35…
Guanidine compounds have important biochemical properties. Aminoguanidine, as an example, is an anti-oxidant, a nitric oxide synthase inhibitor (NOS) which prevents nitric oxide formation, and an inhibitor of advanced glycosylation end products (AGEs). As an anti-oxidant, aminoguanidine may affect the formation of ath…
Amino groups were introduced onto a poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) surface by applying 1,6-hexanediamine treatment. The effects of aminolysis time and 1,6-hexanediamine concentration on hydrophilicity of the treated PHBV were investigated using contact angle measurement. The occurrence of the amin…
In this work, a seeded batch cooling crystallizer was used to study dextrose monohydrate crystallization using in situ techniques. Experiments were conducted to investigate the influence of cooling profile (natural, linear, and controlled cooling) and seed mass on dextrose monohydrate crystallization. Two in situ tech…