Materials Literature
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We studied lattice expansion coefficient due to As using density functional theory with particular attention to separating the impact of electrons and ions. Based on As deactivation mechanism under equilibrium conditions, the effect of stress on As activation is predicted. We find that biaxial stress results in minima…
A row of parallely ordered and coupled molecular nanoshafts is shown to develop a shuttling transport of charges at finite temperature. The appearance of a cu rrent without applying an external bias voltage is reported as well as a natura l diode effect allowing unidirectional charge transport along one field directi…
Results of classical force field geometry optimizations for twisted graphene nanoribbons with a number of twists N(t) varying from 0 to 7 (the case N(t)=1 corresponds to a half-twist Möbius nanoribbon) are presented in this work. Their structural stability was investigated using the Brenner reactive force field. The b…
A Cu-Cr composite was processed by severe plastic deformation to investigate the role of interphase boundaries on the grain size reduction mechanisms. The as-deformed material exhibits a grain size of only 20nm. This gives rise to a dramatic increase of the hardness. Some deformation induced Cu super saturated solid s…
The nanostructure and the carbon distribution in a pearlitic steel processed by torsion under high pressure was investigated by three-dimensional atom probe. In the early stage of deformation (shear strain of 62), off-stoichiometry cementite was analysed close to interphase boundaries and a strong segregation of carbo…
We report a combined study by optical absorption (OA) and electron paramagnetic resonance (EPR) spectroscopy on the ${E}_{\ensuremath{\alpha}}^{\ensuremath{'}}$ point defect in amorphous silicon dioxide $(a\text{\ensuremath{-}}\mathrm{Si}{\mathrm{O}}_{2})$. This defect has been studied in $\ensuremath{\beta}$-ray irra…
The effect of substrate strain on the electronic valence band structure of La0.7Ca0.3MnO3 thin films has been investigated. For this purpose La0.7Ca0.3MnO3 thin films have been simultaneously grown on SrTiO3 and LaAlO3 substrates using pulsed laser deposition technique. These samples were characterized by x-ray diffra…
Abstract Natural fiber‐reinforced composites are more and more frequently applied to building industry and transportation. Therefore, the knowledge of their behavior during fire is of high importance. Flammability is one of very important parameters that often limits the application of composites to a given area. It i…
The electromagnetic (EM) characteristics of ZnO-coated Fe nanocapsules synthesized by arc discharging were studied at 2–18GHz. A reflection loss (RL) exceeding −20dB was obtained in the frequency range of 6.1–15.7GHz for an absorber thickness of 1.5–5mm. An optimal RL of −57.1dB was found at 7.8GHz for an absorber thi…
North Carolina State University Theses Textile Engineering, Chemistry and Science.
North Carolina State University Theses Nuclear Engineering.
It is known for quite some time that approximate density functional (ADF) theories fail disastrously when describing the dis-sociative symmetric radical cations R2+. Considering this dissociation limit, previous work has shown that Hartree-Fock (HF) theory favors the R+1--R0 charge distribution while DF approximations…
Oriented attachment is a new way of crystal growth to transform preformed nanoparticles into hierarchical assemblies. Here, we demonstrate the use of liquid−liquid interfaces toward the formation of PbCrO 4 nanoparticles and their subsequent time-dependent self-assembly at the air−water interface into nanorods by orie…
The reaction of the tris-indole InTREN ligand (L) with different gold phosphine fragments allows the construction of new gold(I) complexes with different geometries depending on the chosen phosphine. A metallodendrimeric structure is obtained when the gold atom is linked to a triphenylphosphine ligand, and neutral gol…
Abstract We tried to prepare silicon carbide-based nanoporous materials using the replica method. The polycarbosilane (PCS) as the SiC precursor filled the mesopores of mesoporous silica as the template, and then calcination and subsequent removal of the silica matrix led to the mesoporous product with a BET specific…
In a blend, the interfacial interaction between the component phases can be effectively utilized to bring about homogeneous mixing and unique performances. While in conventional blends, preserving the morphology of the melt mixed state is unfeasible because of the strong thermodynamic tendency of the components to pha…
Abstract A chiral octadecavanadate has been isolated and optically resolved into enantiomers by spontaneous resolution. From the partial oxidation reaction of a reduced decavanadate [V10O26]4− with nitric acid, a chiral octadecavanadate encapsulating a nitrate template was formed. A nitrate anion was incorporated at t…
The complex of barnase (bn) and barstar (bs), which has been widely studied as a model for quantitative analysis of protein-protein interactions, is significantly destabilized by a single mutation, namely, bs Asp39 --> Ala, which corresponds to a change of 7.7 kcal x mol(-1) in the free energy of binding. However, the…
Surface-enhanced Raman scattering (SERS) was applied to investigate the fine nanostructure of single-wall carbon nanohorns (SWCNHs) and partially oxidized SWCNHs of which Raman D bands are predominant. SERS of SWCNH samples was measured in vacuo by deposition of SWCNH particles on silver foil with evaporation of SWCNH…
The effect of some low molecular weight straight-chain diamines to inhibit the corrosion of SS type 304 in 1 M HCl solution is examined by weight loss and galvanostatic polarization techniques. The inhibition efficiency increases with increasing the number of carbon atoms in the chain up to 8 carbons, but at higher th…