Materials Literature
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A combination of molecular dynamics (MD) simulations and docking calculations was employed to model and predict polymer-drug interactions in self-assembled nanoparticles consisting of ABA-type triblock copolymers, where A-blocks are poly(ethylene glycol) units and B-blocks are low molecular weight tyrosine-derived pol…
The purpose of this research project was to develop nanoparticles with improved targeting, adhesion, and cellular uptake to activated or inflamed endothelial cells (ECs) under physiological flow conditions. Our hypothesis is that by mimicking platelet binding to activated ECs through the interaction between platelet g…
We report magnetoresistive and structural measurements of superconducting FeSe0.5Te0.5 epitaxial thin films grown by pulsed laser deposition. Enhanced onset superconducting transition temperature (∼17 K) is observed in some of these films. Structural analysis by x-ray diffraction and high resolution transmission elect…
Precession Electron Diffraction (PED) offers a number of advantages for crystal structure analysis and solving unknown structures using electron diffraction. The current article uses many-beam simulations of PED intensities, in combination with model structures, to arrive at a better understanding of how PED differs f…
We have synthesized the pure ternary nitride phosphor, LaSi3N5:Ce3+ from the multicomponent oxide system La2O3–CeO2–SiO2, by using the gas-reduction-nitridation method. Highly pure, single-phase LaSi3N5:Ce3+ powders possessing particle sizes of ∼0.4–0.6 μm were obtained with the processing temperature ≤1500 °C. The sy…
In this paper we report an enhanced temperature coefficient of resistance (TCR) close to room temperature in La 0.7 Ca 0.3− x Ba x MnO 3 + Ag y ( x = 0.10, 0.15 and 0 ⩽ y ⩽ 1.0) (LCBMO + Ag) composite manganites. The observed enhancement of TCR is attributed to the grain growth and opening of new conducting channels i…
Current-voltage characteristics of H2-Au molecular junctions exhibit intriguing steps around a characteristic voltage of 40 mV. Surprisingly, we find that a hysteresis is connected to these steps with a typical time scale > 10 ms. This time constant scales linearly with the power dissipated in the junction beyond an o…
A solid-solution system, (1−x)(Bi1/2Na1/2)TiO3–xBa(Al1/2Sb1/2)O3 (BNT-BAS100x), was fabricated by a conventional ceramic fabrication process. The morphotropic phase boundary (MPB) between rhombohedral and pseudocubic phases of BNT-BAS100x was clarified to be at approximately x=0.045, and the highest normalized strain…
The precipitation of calcium carbonate in water has been examined using a combination of molecular dynamics and umbrella sampling. During 20 ns molecular dynamics trajectories at elevated calcium carbonate concentrations, amorphous particles are observed to form and appear to be composed of misaligned domains of vater…
The coupling of drugs to macromolecular carriers received an important impetus from Ringsdorf's notion of polymer-drug conjugates. Several water-soluble polymers, poly(ethylene glycol), poly[N-(2-hydroxypropyl) methacrylamide], poly(l-glutamic acid) and dextran, are studied intensively and have been utilized successfu…
Ferromagnet/ferroelectric interface materials have emerged as structures with strong magnetoelectric coupling that may exist due to unconventional physical mechanisms. Here we present a first-principles study of the magnetoelectric effect at the ferromagnet/ferroelectric SrRuO3/BaTiO3 (001) interface. We find that the…
Using long-distance lateral devices, spin transport near the interface of Si and its native oxide (SiO2) is studied by spin-valve measurements in an in-plane magnetic field and spin precession measurements in a perpendicular magnetic field at 60K. As electrons are attracted to the interface by an electrostatic gate, w…
We report the electronic structure studies of well-characterized polycrystalline Zn 1− x Fe x O( x = 0.0, 0.01, 0.03 and 0.05) nanorods synthesized by a co-precipitation method using x-ray absorption fine structure (XAFS). X-ray diffraction (XRD) reveals that Fe-doped ZnO crystallizes in a single phase wurtzite struct…
Recently, corrodible magnesium-based alloys have been introduced for use as cardiovascular stents and orthopedic implants. However, rapid corrosion rates have raised questions about their biocompatibility. Therefore, we developed a binary fluoride-coated magnesium-calcium alloy with improved degradation kinetics. Bioc…
Tungsten trioxide (WO(3)) nanostructures were synthesized by hydrothermal method using sodium tungstate (Na(2)WO(4).2H(2)O) alone as starting material, and sodium tungstate in presence of ferrous ammonium sulfate [(NH(4))(2)Fe(SO(4))(2).6H(2)O] or cobalt chloride (CoCl(2).6H(2)O) as structure-directing agents. Orthorh…
A water-soluble fluorescent hyperbranched conjugated polyelectrolyte (HCPE) with a unique double-layered architecture is synthesized via the combination of alkyne polycyclotrimerization and alkyne-azide “click” reaction for live-cell imaging. Because of the rigid conjugated core that offers shape persistence, and the…
The effect of nuclear spins in Fe/GaAs all-electrical spin-injection devices is investigated. At temperatures below 50 K, strong modifications of the non-local spin signal are found that are characteristic for hyperfine coupling between conduction electrons and dynamically polarized nuclear spins. The perpendicular co…
Tunneling electroresistance (TER) effect is the change in the electrical resistance of a ferroelectric tunnel junction (FTJ) associated with polarization reversal in the ferroelectric barrier layer. Here we predict that a FTJ with a composite barrier that combines a functional ferroelectric film and a thin layer of a…
To understand newly discovered superconductivity in Fe-based systems, we investigate the electronic structure and magnetic properties of Fe_{1+x}Te using first-principles density functional calculations. While the undoped FeTe has the same Fermi surface nested at (pi,pi) as in Fe arsenides, doping by approximately 0.5…
The thermodynamical properties of the main phases of metallic polonium are examined using Density Functional Theory. The exceptional nature of the solid-solid phase transition of $α$ to $β$ Po is underlined: it induces a lowering in symmetry, from cubic to rhombohedral, with increasing temperature. This is explained a…