Materials Literature
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The atomic structures, growth behavior, and electronic properties of (Al 2 O 3 ) n, n = 1–10, clusters have been studied within the framework of density functional pseudopotential theory and generalized gradient approximation for the exchange–correlation energy. The lowest energy isomers of these clusters show prefere…
Gamma ray exposure buildup factors for three Heavy Metal Oxide (HMO) glass systems, viz. PbO-Bi2O3-B2O3, PbO-B2O3, and Bi2O3-B2O3 glasses are presented. The computations were done by interpolation method using the Geometric Progression fitting formula and ANSI/ANS-6.4.3 library for the energy range from 0.015 to 15 Me…
Growth of large-area, few-layer graphene has been reported recently through the catalytic decomposition of methane (CH(4)) over a Cu surface at high temperature. In this study, we used ab initio calculations to investigate the minimum energy pathways of successive dehydrogenation reactions of CH(4) over the Cu (111) s…
PbZrO${}_{3}$/SrRuO${}_{3}$/SrTiO${}_{3}$ (100) epitaxial heterostructures with different thickness of the PbZrO${}_{3}$ (PZO) layer (d${}_{\mathrm{PZO}}$ \ensuremath{\sim} 5--160 nm) were fabricated by pulsed laser deposition. The ultrathin PZO films (d${}_{\mathrm{PZO}}$ \ensuremath{\le} 10 nm) were found to possess…
A medium-chain-length (MCL) polyhydroxyalkanoates (PHAs) producer Pseudomonas entomophila L48 was investigated for microbial production of 3-hydroxydodecanote homopolymer. Pseudomonas entomophila L48 was found to produce MCL PHA consisting of 3-hydroxyhexanoate (3HHx), 3-hydroxyoctanoate (3HO), 3-hydroxydecanoate (3HD…
The establishment of an efficient and reliable protein-purification pipeline is essential for the success of structural genomic projects. The SSGCID Protein Purification Group at the University of Washington (UW-PPG) has established a robust protein-purification pipeline designed to purify 400 proteins per year at a r…
Conductivity-controllable and photo-patternable conductive polythiophenes are prepared by solution-casting polymerization and applied to patterned electrochromic devices. A photofunctional group is introduced to thiophene derivatives for color tuning. This method and the resulting materials support the easy fabricatio…
Eight fascinating sp(2)- and sp(3)-hybridized carbon allotropes have been uncovered using a newly developed ab initio particle-swarm optimization methodology for crystal structure prediction. These crystalline allotropes can be viewed respectively as three-dimensional (3D) polymers of (4,0), (5,0), (7,0), (8,0), (9,0)…
We show that resonant electron transport in semiconductor superlattices with an applied electric and tilted magnetic field can, surprisingly, become more pronounced as the lattice and conduction electron temperature increases from 4.2 K to room temperature and beyond. It has previously been demonstrated that at certai…
We present the design, fabrication and characterization of high-\emph{Q} (\emph{Q}=36,000) polymeric photonic crystal nanobeam cavities made of two polymers that have an ultra-low index contrast (ratio=1.15) and observed thermo-optical bistability at hundred microwatt power level. Due to the extended evanescent field…
We perform first principles calculations of the magnetocrystalline anisotropy energy in the five L10 FePt samples studied experimentally by Ding et al. [J. App. Phys. 97, 10H303 (2005)]. The effect of temperature-induced spin fluctuations is estimated by scaling the MAE down according to previous Langevin dynamics sim…
The first examples of Fe(II) PARACEST magnetic resonance contrast agents are reported (PARACEST = paramagnetic chemical exchange saturation transfer). The iron(II) complexes contain a macrocyclic ligand, either 1,4,7-tris(carbamoylmethyl)-1,4,7-triazacyclononane (L1) or 1,4,7-tris[(5-amino-6-methyl-2-pyridyl)methyl]-1…
We extend the post-processing finite-size (FS) correction method, developed by Kwee, Zhang, and Krakauer [Phys. Rev. Lett. 100, 126404 (2008)], to spin polarized systems. The method estimates the FS effects in many-body electronic structure calculations of extended systems by a modified density functional theory (DFT)…
We propose a primitive model of Janus ellipsoids that represent particles with an ellipsoidal core and two semi-surfaces coded with dissimilar properties, for example, hydrophobicity and hydrophilicity, respectively. We investigate the effects of the aspect ratio on the self-assembly morphology and dynamical aggregati…
We investigate the effect of ferroelectric polarization direction on the geometric properties of Pd deposited on the positive and negative surfaces of LiNbO(3) (0001). We predict preferred geometries and diffusion properties of small Pd clusters using density functional theory, and use these calculations as the basis…
We present wide-range (3 meV--6 eV) optical studies on freestanding transparent carbon nanotube films, made from nanotubes with different diameter distributions. In the far-infrared region, we found a low-energy gap in all samples investigated. By a detailed analysis we determined the average diameters of both the sem…
Rapid blood perfusion is critical for postimplantation survival of thick, prevascularized bioartificial tissues. Yet the mechanism by which implanted vascular networks inosculate, or anastomose, with the host vasculature has been unknown, making it difficult to develop optimized strategies for facilitating perfusion.…
Over the last decade the search for compounds combining the resources of semiconductors and ferromagnets has evolved into an important field of materials science. This endeavour has been fuelled by continual demonstrations of remarkable low-temperature functionalities found for ferromagnetic structures of (Ga,Mn)As, p…
The crystal structure of lanthanum cerium oxide (La${}_{2}$Ce${}_{2}$O${}_{7}$) is investigated using ab initio density functional theory calculations. The relative stability of fluorite- and pyrochlorelike structures is studied through comparison of their formation energies. These formation energies show the pyrochlo…
Optical spectrometers, instruments that work with monochromatic light, are commonly rated by the spectral bandwidth, which defines the ability to resolve closely spaced spectral components. The ability to detect faint objects among these components, spectral contrast, is another desired aspect. Here we demonstrate tha…