Materials Literature
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The problem of reactor pressure vessel (RPV) integrity during in-vessel melt retention for VVER type reactor is considered. Comprehensive numerical analysis contains the modeling of full severe accident scenario including thermal and mechanical loads on the RPV. The RPV stress calculation takes into consideration vess…
To reveal the fracture failure mechanisms of single crystals at elevated temperatures, a new temperature-dependent ideal tensile strength model for solids has been developed, based on the critical strain principle. At the same time, the uniaxial tensile strength model, based on the critical failure energy density prin…
Carbon nitride (CN x ) bilayer films with Ti and TiN interlayer were synthesized by cathode arc technique at various nitrogen pressures (P N2 ). The dependences of microstructure and bonding composition of the films on the P N2 and interlayer were analyzed by Raman spectroscopy and X‐ray photoelectron spectroscopy. Mi…
Red-emitting Mg4 Nb2 O9 :Eu(3+) phosphor is synthesized via a solid-state reaction method in air, and its crystal structure and luminescence are investigated. The phosphor can be excited efficiently by ~ 395 nm light, coupled well with a ~ 395 nm near-ultraviolet chip and emits red light at ~ 613 nm with sharp spectra…
A series of Sn-added Sm1111 sintered bulks (SmFeAs(O, F) + x Sn; x = 0–0.8) was synthesized, and the influence of Sn addition on the superconducting properties of SmFeAs(O, F) was studied. The cell volume ( V ) slightly increases with Sn addition in the lightly F-doped Sm1111 (SmFeAsO 0.88 F 0.12 ), suggesting a sligh…
A series of terarylenes incorporating benzothiophene (BT)/benzofuran (BF) as the central ethene unit was synthesised by using sequential Pd-catalysed C-H activation reactions. This new methodology allows the easy modification of the nature of the pendant heteroarene groups. Diaryl ethene (DAE) derivatives with thiophe…
The high-pressure behavior of melt-quenched amorphous selenium (a-Se) has been investigated via ultrasonic measurements and Raman scattering at room temperature. The ultrasonic measurements were conducted on a-Se in a multi-anvil apparatus with two different sample assemblies at pressures of up to 4.5 and 4.8 GPa. We…
Accumulation of oxidative damage in proteins correlates with aging since it can cause irreversible and progressive degeneration of almost all cellular functions. Apparently, native protein structures have evolved intrinsic resistance to oxidation since perfectly folded proteins are, by large most robust. Here we explo…
One of the major advantages of the Layer-by-Layer (LbL) deposition technique is the possible control of molecular architecture, not only to achieve optimized properties but also to seek synergy among different materials. In this study, LbL films containing nanoclusters of a Keggin type polyoxometalate, phosphotungstic…
We study resonant tunneling through a magnetic barrier structure in graphene, on the basis of Fabry-Pérot interference effect. For parallel structure, the Fabry-Pérot resonance displays symmetric distribution in (E, ky) space, and the transmission range is shrunk rapidly with the increased magnetic barrier or period n…
Magnetoelectric (ME) harmonic distortion behavior in layered piezoelectric/magnetostrictive composites was investigated in this study. Taking into account the quadratic magnetostrictive effect, a nonlinear distortion coefficient was proposed to quantitatively describe the distortion of ME frequency response. It was re…
A novel perovskite oxide, CaCu3Rh4O12, has been synthesized under high-pressure and high-temperature conditions (15 GPa and 1273 K). Rietveld refinement of synchrotron X-ray powder diffraction data indicates that this compound crystallizes in a cubic AA'3B4O12-type perovskite structure. Synchrotron X-ray absorption an…
Methyl violet–substituted polyaniline is prepared by oxidative polymerization of aniline in an aqueous acidic media using tosic acid as dopant and ammonium persulphate as oxidant. Substitution of methyl violet (dye moieties) on polyaniline backbone takes place in the presence of butyl lithium. The structures of methyl…
Non-equilibrium molecular dynamics simulations are used to determine interfacial thermal resistance (Kapitza resistance) between a crystal and its melt for three materials including Ar, H2O, and C8H18 (octane). The simulation results show that the Kapitza resistance at a crystal-melt interface is very small and thus h…
Due to its p-type conductivity, CuAlO2 has been widely studied. However, the conductivity of p-type CuAlO2 is much lower than that of n-type, which limits its applications. We used the generalized gradient approximation and hybrid functional B3LYP to study the effects of chalcogen substitution on the electronic proper…
Understanding how newly engineered micro- and nanoscale materials and systems that interact with cells impact cell physiology is crucial for the development and ultimate adoption of such technologies. Reports regarding the genotoxic impact of forces applied to cells in such systems that can both directly or indirectly…
The synthesis and the characterization of two porphyrin coordination cages are reported. The design of the cage formation is based on the coordination of silver(I) ions to the pyridyl units of 3-pyridyl appended porphyrins. (1)H/(109)Ag NMR spectroscopy, and diffusion-ordered spectroscopy (DOSY) experiments demonstrat…
Novel saponification-triggered gelation in an ester-based bis-salen Zn(II) complex (1) is described. Strategic structural modifications induced by NaOH in 1 tune the dipolar-/π-interactions leading to J-aggregation and the creation of an inorganic gel material (IGM), which has been established by photophysical, DFT an…
Conventional collagen-based heart valves eventually fail because of insufficient replacement of graft material by host tissue. In this study, type I collagen was blended with silk fibroin and the synthetic elastic polymer poly (glycerol-sebacate) (PGS) in varying proportions to create multifunctional electrospun nanof…
A series of PAMAM dendrimers peripherally modified with tetraphenylethylene (TPE), a typical chromophore with emission enhancement in aggregate, were synthesized (D0–D4). The dendrimers are molecularly dissolved in toluene, a selective solvent. The intramolecular rotation of TPE is depressed by the restrained conforma…