Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
We present density functional calculations on the molecule based S=1/2 antiferromagnetic chain compound Cu PM(NO3)2 (H2O)2; PM = pyrimidine. The properties of the ferro- and antiferromagnetic state are investigated at the level of the local density approximation and with the hybrid functional B3LYP. Spin density maps…
In trying to assess the structural integrity of electrospun type II collagen scaffolds, a modified but new technique for cross-linking collagen has been developed. Carbodiimides have been previously used to cross-link collagen in gels and in lyophilized native tissue specimens but had not been used for electrospun mat…
Using the first-principles full-potential linearized augmented plane-wave method based on density functional theory, we have investigated the electronic structure and magnetism of hypothetical $M$C ($M=\mathrm{Mg}$, Ca, Sr, and Ba) compounds with the zinc-blende (ZB) crystal structure. It is shown that ZB $\mathrm{CaC…
We present density functional theory (DFT) calculations for MnO, ${\mathrm{Mn}}_{3}{\mathrm{O}}_{4}$, $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{Mn}}_{2}{\mathrm{O}}_{3}$, and $\ensuremath{\beta}\text{\ensuremath{-}}\mathrm{Mn}{\mathrm{O}}_{2}$, using different gradient corrected functionals, such as Perdew-Bur…
Three-dimensional synthetic gels that mimic the extracellular matrix provide a promising tool for studying cell interactions.
We demonstrate a layer-by-layer processing scheme that can be utilized to create transparent superhydrophobic films from SiO2 nanoparticles of various sizes. By controlling the placement and level of aggregation of differently sized nanoparticles within the resultant multilayer thin film, it is possible to optimize th…
Much progress has been made over the past ten years on the synthesis of monodisperse spherical nanocrystals. Mechanistic studies have shown that monodisperse nanocrystals are produced when the burst of nucleation that enables separation of the nucleation and growth processes is combined with the subsequent diffusion-c…
A detailed analysis of the thermal expansion mechanism of graphite oxide to produce functionalized graphene sheets is provided. Exfoliation takes place when the decomposition rate of the epoxy and hydroxyl sites of graphite oxide exceeds the diffusion rate of the evolved gases, thus yielding pressures that exceed the…
A series of water-swellable elastomers were prepared by blending plasticized polyvinyl chloride (PVC) with starch graft polyacrylate sodium (SZA). The morphology and properties of PVC/SZA blends were studied by means of water absorbing ratio, water swelling ratio, weight loss ratio, tensile stress-strain and SEM tests…
Field emission properties of titanium carbide (TiC) coated carbon nanotube (CNT) arrays have been investigated. The turn-on voltage of field emission is largely decreased and the emission sites are increased after the coating of TiC thin films. It is evidenced that the combination of the low work function of TiC and t…
The interaction of a moving twin boundary with clusters of self-interstitial atoms and vacancies, containing up to 35 point defects, has been studied by atomic computer simulation in a model crystal of α-zirconium. Conservative movement of the boundary has been achieved by glide of twinning dislocations of edge charac…
Natural resources of the world are shrinking day by day with ever increasing population and man's growing need for commercialization of petroleum, natural gas, coal, etc. Therefore, there is a need for finding an alternative fuel that could replace these conventional fuels. Hydrogen seems to be an ideal candidate, sin…
The results of the investigations on (1 — x)PMN-xPT ceramic samples obtained by sol—gel (SG) technology are presented in this study. In the (1 — x)PMN-xPT samples, the temperature Tm (at which real part of dielectric permittivity reaches its maximum) increases from ~270 K for x = 0 to ~500 K for x = 0.5. At room tempe…
Agave-like zinc oxide (ZnO) nanowire arrays are self-assembled on amorphous carbons using thermal chemical vapor transport and condensation without any metal catalysts. Experimentally, a study is performed to clarify the nucleation and growth of the unique nanostructures. Theoretically, a thermodynamic approach is pro…
The $Q$ dependence of the inelastic neutron scattering (INS) intensity of transitions within the ground-state spin multiplet of single-molecule magnets is considered. For these transitions, the $Q$ dependence is related to the spin density map in the ground state, which, in turn, is governed by the Heisenberg-exchange…
Quasicrystals can be considered, from the point of view of their electronic properties, as being intermediate between metals and insulators. For example, experiments show that quasicrystalline alloys such as AlCuFe or AlPdMn have conductivities far smaller than those of the metals that these alloys are composed from.…
The effect of substitution of In 3+ and Al 3+ ions on the electrical and magnetic properties of Mn-Zn ferrites has been investigated. The substitution of In 3+ ions for Fe 3+ ions resulted in an increase of lattice parameter, owing to the larger size of In 3+ ions, whereas lattice parameter was found to decrease on su…
The conventional shape memory effect (SME) and pseudoelasticity (PE) in as-grown [100] single crystals of Co49Ni21Ga30 alloy under compression are reported. The parent single crystals exhibit about 5% transformation strain at compressive stress levels as low as 4 MPa, and a pseudoelastic strain of 4.5%. Complete PE wa…
The electron hole spectral width Gamma(h) of Ti 3d states in layered TiTe2 and the inverse lifetime V(i) of the photoelectron final states are determined from experiment within the one-step theory of photoemission. The condition for the possibility of separating the effects of Gamma(h) and V(i) is a strongly non-free-…
The surface-induced structure formation of polymer-dispersed liquid crystals (PDLCs) on a chemically patterned substrate was studied for the first time. The patterns on the substrate were successfully transferred to the PDLC film, resulting in alternating LC-rich and polymer-rich phases. This simple approach offers a…