Materials Literature
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In this paper we have investigated the electronic properties of Fe(OH)2 hydroxide by using the LSDA+U as well as the generalized gradient approximation. Our calculations for the iron-hydroxide show that the LSDA results are greatly at variance with experimental findings. On the other hand we have shown that LSDA+U is…
Transformation optics is a recently appreciated approach for designing complex electromagnetic media. Here, we describe the extension of transformation optical techniques to include waveguide boundary conditions. We illustrate the use of finite embedded coordinate transformations to design a medium that can be incorpo…
This volume is the eleventh in the OECD Nuclear Energy Agency (NEA) “Chemical Thermodynamics” series. It is based on a critical review of the thermodynamic properties of thorium, its solid compounds and aqueous complexes.
A synthetic route was introduced to speed up the preparation of high performance nanostructured Yb0.3Co4Sb12+y (y=0.3 and 0.6) compounds. Compared with the samples prepared by a traditional method, the processing time is reduced from the typical 10 days to less than 40 h, the Yb filling fraction limit increases, and t…
We present a novel process for the production of three-layer Composite Nanoparticles (CNPs) in the size range 100-300 nm with an up-converting phosphor interior, a coating of porphyrin photosensitizer, and a biocompatible PEG outer layer to prevent clearance by the reticuloendothelial system. We show that these CNPs p…
We explored advantages of diverse carbon nanotube forests with tailored structures synthesized by water-assisted chemical vapor deposition (CVD) growth (supergrowth) from engineered catalysts. By controlling the catalyst film thickness, we synthesized carbon nanotube (CNT) forests composed from nanotubes with differen…
We report on the criterion for the dynamic transformation of the internal structure of moving domain walls (DWs) in soft magnetic thin-film nanostripes above the Walker threshold field, Hw. In order for the process of transformation from transverse wall (TW) to vortex wall (VW) or antivortex wall (AVW) occurs, the edg…
We study a moving boundary model of non-conserved interface growth that implements the interplay between diffusive matter transport and aggregation kinetics at the interface. Conspicuous examples are found in thin film production by chemical vapor deposition and electrochemical deposition. The model also incorporates…
We provide a quantitative picture of non-conserved interface growth from a diffusive field making special emphasis on two main issues, the range of validity of the effective small-slopes (interfacial) theories and the interplay between the emergence of morphologically instabilities in the aggregate dynamics, and its k…
Abstract To estimate the contribution of all major components to the thermal properties of natural hemp fiber bundles, the thermal decomposition of hemp fibers following several chemical treatments was studied by the differential thermogravimetric analysis (DTA/TGA). Contrary to what was observed with measurements con…
In the present study, smooth, unceasing, hydrogen-free, and pure nickel metal nanofibers have been synthesized using the electrospinning technique. A sol−gel consisting of nickel acetate tetrahydrate and poly(vinyl alcohol) has been electrospun, and the obtained nanofiber mats were vacuously dried and then calcined in…
Counterion adsorption on a flexible polyelectrolyte chain in a spherical cavity is considered by taking a "permuted" charge distribution on the chain so that the "adsorbed" counterions are allowed to move along the backbone. We compute the degree of ionization by using self-consistent field theory (SCFT) and compare w…
The idea of transmission polarizers realized by anisotropic metamaterials is demonstrated by experiments. One of the polarizers converts linear-polarized waves to circular-polarized waves, while the other polarizer converts linear-polarized waves from one polarization to its cross polarization. The excellent agreement…
Quantum tunneling of magnetization (QTM) steps have been observed for a mixed 3d–4f single-molecule magnet for the first time in the hysteresis loops of {Mn12Gd}. This phenomenon is assigned to larger than usual exchange coupling of the 4f atom with the {Mn12} shell. This improved quantum behavior for the important cl…
Five density functionals including GGA (generalized gradient approximation) (BP86), meta-GGA (TPSS), hybrid meta-GGA (TPSSh), hybrid (B3LYP), and double-hybrid functionals (B2PLYP) were calibrated for the prediction of 57Fe Mössbauer isomer shifts on a set of 20 iron-containing molecules. The influence of scalar relat…
It isn't easy BN aromatic! 1,2-Dihydro-1,2-azaborine, a hybrid organic/inorganic benzene, is a stable aromatic molecule with features that are distinct from its isoelectronic “organic” (benzene) and “inorganic” (borazine) counterparts. Experimental structural, spectroscopic, and chemical data are fully supported by hi…
Design, fabrication, and characterization of a broadband, omnidirectional, graded-index antireflection (AR) coating made using nanostructured low-refractive-index (n=1.05–1.40) silica deposited by oblique-angle deposition are reported. Averaged over wavelength range from 400 to 1100 nm and 0°–90° angle of incidence, p…
Aligned, electrospun polymer fibers have shown considerable promise in directing regenerating axons in vitro and in vivo. However, in several studies, final electrospinning parameters are presented for producing aligned fiber scaffolds, and alignment where minimal fiber crossing occurs is not achieved. Highly aligned…
Surface modification of cellulosic nanowhiskers (CNW) is of great interest, especially to facilitate their use as polymer reinforcements. Generally, alteration of the surface chemistry is performed using multiple reaction steps. In contrast, this study demonstrates that the needed hydrolysis of amorphous cellulose cha…
This paper reports a versatile seed-mediated growth method for selectively synthesizing single-crystalline rhombic dodecahedral, octahedral, and cubic gold nanocrystals. In the seed-mediated growth method, cetylpyridinium chloride (CPC) and CPC-capped single-crystalline gold nanocrystals 41.3 nm in size are used as th…