Materials Literature
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Stable configurations, electronic structures, and magnetic behaviors for N, O, and F absorptions on graphene have been investigated by first-principles calculations. It is found that F atom is located just above the C atom, while both O and N atoms are located above the carbon-carbon bond. Strong interactions between…
The integrity of the basement membrane is essential for tissue cellular growth and is often altered in disease. In this work a method for noninvasively detecting the structural integrity of the basement membrane, based on the delivery of cationic iron-oxide nanoparticles, was developed. Cationic particles accumulate d…
Functionalization of nanoparticles or colloids is increasingly being used to develop customizable "atoms". Functionalization by attaching single strands of DNA allows for direct control of the binding between nanoparticles, since hybridization of double strands will only occur if the base sequences of single strands a…
We consider the energy spectrum of the planar quantum well which consisted of two ribbons of narrow-gap semiconductors and a graphene ribbon between ones. It is shown that the gapless mode appears only in case of inverted narrow-gap semiconductors. Spin splitting of the energy spectrum for a nonsymmetric quantum well…
Abstract Nanocrystalline samples of Zn 1‐x Mn x S (x = 0.0, 0.02, 0.04) were synthesized by chemical precipitation method and characterized for magnetism. EPR studies showed an evidence of ferromagnetism around room temperature. Hysterisis from vibrating sample magnetometer supports the observation. (© 2009 WILEY‐VCH…
BACKGROUND: There is significant interest in using nanofibers in tissue engineering from stem cells. The transdifferentiation of mesenchymal stem cells into the hepatic lineage in a nanofibrous structure has not been reported. In this study, a three dimensional nanofibrous scaffold is introduced for differentiation of…
The coordination chemistry of porphyrins has traditionally involved the ability of the porphyrin's tetrapyrrolic core to accommodate metal ions of varying charges and sizes, and on the organometallic chemistry of the resulting metalloporphyrins. However, the organometallic chemistry of porphyrins is not necessarily re…
We have synthesized antiperovskite manganese nitrides Mn3(Cu0.6SixGe0.4−x)N, (x=0–0.2) and investigated their negative thermal expansion (NTE) in the temperature range of 80–300 K. We found that the transition temperature of NTE moves toward lower temperature region and as well the NTE operation-temperature window (ΔT…
A spin wave theory explaining experimentally observed frequency splitting of dynamical excitations with azimuthal symmetry of a magnetic dot in a vortex ground state is developed. It is shown that this splitting is a result of the dipolar hybridization of three spin wave modes of a dot having azimuthal indices |m|=1:…
We study heat transfer from a heated nanoparticle into surrounding fluid, using molecular dynamics simulations. We show that the fluid next to the nanoparticle can be heated well above its boiling point without a phase change. Under increasing nanoparticle temperature, the heat flux saturates which is in sharp contras…
We measured the initial M-H curves for a sample of the newly discovered superconductor NdFeAsO0.82Fe0.18, which had a critical temperature, Tc, of 51 K, and was fabricated at the high pressure of 6 GPa. The lower critical field, Hc1, was extracted from the deviation point of the Meissner linearity in the M-H curves, w…
The quasiharmonic approximation (QHA), in its simplest form also called the statically constrained (SC) QHA, has been shown to be a straightforward method to compute thermoelastic properties of crystals. Recently we showed that for non-cubic solids SC-QHA calculations develop deviatoric thermal stresses at high temper…
Experimental measurements of the specific heat in glass-forming systems reveal anomalies in the temperature dependence of the specific heat, including the so called "specific heat peak" in the vicinity of the glass transition. The aim of this paper is to provide theoretical explanations of these anomalies in general a…
A new theoretical model for self dynamic response is developed using Vibration-Transit (V-T) theory, and is applied to liquid sodium at all wavevectors q from the hydrodynamic regime to the free particle limit. In this theory the zeroth-order Hamiltonian describes the vibrational motion in a single random valley harmo…
Magnetische, fluoreszierende Kern-Schale-Nanopartikel, die aus einem Fe3O4-Nanokristallkern und einer farbstoffdotierten mesoporösen Kieselgelhülle mit Polyethylenglycol-Beschichtung bestehen (siehe TEM-Bilder und schematische Darstellung), können als Magnetresonanz- und fluoreszierende Imaging-Agentien sowie zum Wirk…
It is shown that dynamical screening of the Coulomb interaction in LaCuO leads to low-energy electronic collective excitations in a small region around the c-axis, strongly mixing with interlayer phonons. The manifestation of such a phonon-plasmon scenario based on a nonadiabatic charge response is quantitatively supp…
The effect of surface roughness on phonon transport in a nanowire has often been described by treating the surface as flat with a specularity parameter (p) in the range between 0 and 1. A lower thermal conductivity limit is approached at p=0 for diffuse surface. It is demonstrated here by Monte Carlo simulation that s…
We study the important n-cyanobiphenyl (with n= 4-8) series of mesogens, using modelling and molecular dynamics simulations. We are able to obtain spontaneously ordered nematics upon cooling isotropic samples of 250 molecules. By using the united-atom force field developed herein, we show that the experimental isotrop…
This article is composed of two parts; In the first part (Sec. 1), the ultra-large-scale electronic structure theory is reviewed for (i) its fundamental numerical algorithm and (ii) its role in nano-material science. The second part (Sec. 2) is devoted to the mathematical foundation of the large-scale electronic struc…
We study the dynamics of fermions on graphene in presence of Coulomb impurities and Aharonov-Bohm field. Special emphasis is given to the formation of hydrino like states and its lifting of degeneracy due to the presence of AB field. The flux of the AB field can be tuned to make the low angular momentum hydrino states…