Materials Literature
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We developed modified embedded-atom method (MEAM) interatomic potentials for the $\mathrm{Mg}\text{\ensuremath{-}}\mathrm{Al}$ alloy system using a first-principles method based on density functional theory (DFT). The materials parameters, such as the cohesive energy, equilibrium atomic volume, and bulk modulus, were…
Many-body effects in confined quantum systems pose a challenging problem due to the simultaneous presence of particle-particle interactions and spatial inhomogeneity. Here we investigate universal properties of strongly confined particles that turn out to be dramatically different from what is observed for electrons i…
The recently developed practice of spraying polyelectrolyte solutions onto a substrate in order to construct thin films via the layer-by-layer technique has been further investigated and extended. Here we describe a fully automated system capable of depositing thin polymer films from atomized mists of solutions contai…
The effect of O 2 plasma treatment on surface energy, topography and surface chemistry of the negative photoresist epoxy novolak SU-8 was investigated by contact angle goniometry, atomic force microscopy (AFM) and x-ray photoelectron spectroscopy (XPS). Directly after plasma treatment, the surfaces were completely wet…
In contrast to standard metallic or semiconducting graphitic carbon nanotubes, for years their structural analogs, boron nitride nanotubes, in which alternating boron and nitrogen atoms substitute for carbon atoms in a graphitic network, have been considered to be truly electrically insulating due to a wide band gap o…
Live cell imaging using CdSe/CdS/ZnS quantum rods (QRs) as targeted optical probes is reported. The QRs, synthesized in organic media using a binary surfactant mixture, were dispersed in aqueous media using mercaptoundecanoic acid (MUA) and lysine. Transferrin (Tf) was linked to the QRs to produce QR-Tf bioconjugates…
We investigate the quality (Q) factor and the mode dispersion of single-defect nanocavities based on a triangular-lattice GaAs photonic-crystal (PC) membrane, which contain InAs quantum dots (QDs) as a broadband emitter. To obtain a high Q factor for the dipole mode, we modulate the radii and positions of the air hole…
We present the first realization of the generalized pseudoatom concept introduced by Ball, and adopt the name enatom to minimize confusion. This enatom, which consists of a unique decomposition of the total charge density (or potential) of any solid into a sum of overlapping atomiclike contributions that move rigidly…
We present results from an X-ray photoemission spectroscopy (XPS) study of CoFeB/MgO bi-layers where we observe process-dependent formation of B, Fe, and Co oxides at the CoFeB/MgO interface due to oxidation of CoFeB during MgO deposition. Vacuum annealing reduces the Co and Fe oxides but further incorporates B into t…
The field electron emission from the single-walled carbon nanotubes with their open ends terminated by -BH, -NH, and -O has been simulated. The apex-vacuum barrier and the emission current have been calculated. It has been found that -BH and -NH suppress the apex-vacuum barrier significantly and lead to higher emissio…
We have investigated the spin-dependent transport properties of GaMnAs-based three-terminal semiconductor spin hot-carrier transistor (SSHCT) structures. The emitter-base bias voltage VEB dependence of the collector current IC, emitter current IE, and base current IB shows that the current transfer ratio alpha (= IC /…
A conception of inhomogeneous locally random distribution of microdefects in crystalline solids is proposed. A method to calculate some physical properties of solids, containing inhomogeneously distributed defects, is developed. A contribution of this inhomogeneity to a series of physical properties is calculated and…
In order to increase antibacterial abilities and avoid aggregation of Ag nanoparticles, Ag−SiO 2 nanocomposites were studied to achieve hybrid structure. SiO 2 nanoparticles synthesized by the Stöber method served as seeds for immobilization of Ag. The chemical binding structure and morphology of Ag−SiO 2 nanocomposit…
Coupled quantum mechanical/molecular mechanical (QM/MM) calculations were used to study the effects of large defects and cracks on the mechanical properties of carbon nanotubes and graphene sheets. The semi-empirical method PM3 was used to treat the QM subdomains and a Tersoff-Brenner potential was used for the molecu…
The effect of hydrogen bonding on the phase behavior of a chemically similar polyurethane and polyurea and their blends with poly(ethylene glycol) is examined. The polyurethane and polyurea were synthesized from the same diisocyanate, 1,5-diisocyanato-2-methylpentane, using an aromatic diol and aromatic diamine, respe…
We report energy-transferring organically modified silica nanoparticles for two-photon photodynamic therapy. These nanoparticles co-encapsulate two-photon fluorescent dye nanoaggregates as an energy up-converting donor and a photosensitizing PDT drug as an acceptor. They combine two features: (i) aggregation-enhanced…
The Vickers indentation fracture toughness test, or VIF, is addressed by considering its origins and the numerous equations that have been applied along with the technique to estimate the fracture resistance, or the K I c of ceramics. Initiation and propagation of cracks during the VIF test are described and contraste…
The surface plasmon response of metal nanoparticles is studied for different shapes and physical environments. For polyhedral nanoparticles, the surface plasmon resonances are studied as a function of the number of faces and vertices. The modification of these surface plasmons by different surrounding media and the pr…
In this paper we present the fluorescence decay profiles of vanadium and titanium doped gallium lanthanum sulphide (GLS) glass at various doping concentrations between 0.01 and 1% (molar). We demonstrate that below a critical doping concentration the fluorescence decay profile can be fitted with the stretched exponent…
Highly luminescent nanoparticles, such as, trivalent erbium-doped yttrium-oxide, Er<sup>3+</sup>:Y<sub>2</sub>O<sub>3</sub>, are expected to have a wide range of applications, including imaging, range finding, flash lidar, and other remote-sensing possibilities as well as medical applications. These particles are synt…