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Polysaccharide hydrogels are good candidates for skin scaffolds because of their inherent biocompatibility and water transport properties. In the current study, hydrogels were made from a mixture of four polysaccharides: xanthan gum,... more
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      EngineeringTime Factors
Viscoelastic properties of j-carrageenan in saline solution at various concentrations and pH were investigated by dynamic rheological techniques, viscosity, elasticity measurements, and IR spectrometry. The viscosity and elasticity at low... more
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Nanocomposites of polycarbonate (PC) containing low concentrations of pristine and COOH and OH functionalized single-walled carbon nanotubes (SWNTs, COOH-SWNTs and OH-SWNTs) were prepared by melt-mixing and analyzed using rheology and... more
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    • Thermal Analysis and Calorimetry
Fast timing detectors are an essential element in the experimental setup for time-of-flight (ToF) mass measurements of unstable nuclei. We have upgraded the scintillator detectors used in experiments at the National Superconducting... more
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    • Physics
the limits of the nuclear landscape, nuclei may exhibit different ground state properties as the result of shell evolution. At the center of the N=20 island of inversion in Mg, a recently identified shape coexistent excited 0+ state was... more
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    • Geology
References: Generally, neutrons are more difficult to detect at higher energies. As neutrons approached 10MeV, interactions inside the simulation space decreased from 72.9% to 36%. This increase in energy also caused a 9% increase in... more
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      PhysicsNuclear PhysicsNeutron Detection
A new high precision time of flight neutron detector concept for beta-delayed neutron emission and direct reaction studies is proposed. The Neutron dEtector with Xn Tracking (NEXT) array aims to maintain high intrinsic neutron detection... more
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    • Physics
To be published on Phys. Rev. B)
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The competitions between ferroelectric and rotational instabilities in rhombohedral PbZrxTi1−xO3 near x = 0.5 are investigated using first principles density functional supercell calculations. As expected, we find a strong ferroelectric... more
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    • Morphotropic Phase Boundary
First principles calculations are used to investigate the band structure and the transport related properties of unfilled and filled 4d skutterudite antimonides. The calculations show that, while RhSb3 and p-type La(Rh,Ru)4Sb12 are... more
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      EngineeringFigure of Merit
We discuss the electronic structure of Na x CoO 2 from the point of view of first principles electronic structure calculations. The band structure contains low spin Co ions, with average charge 5 þ x leading to a nearly full Co t 2g... more
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      Condensed Matter PhysicsInorganic ChemistryElectronic Structure CalculationCrystal field
Wee, Daehyun et al. "Effects of filling in CoSb[subscript 3] : Local structure, band gap, and phonons from first principles." Physical Review B 81.4 (2010): 045204.
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    • Electronic band structure
We present a large-scale density functional theory (DFT) investigation of the ABO3 chemical space in the perovskite crystal structure, with the aim of identifying those that are relevant for forming piezoelectric materials. Screening... more
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    • Very high throughput
We screen a large chemical space of perovskite alloys for systems with optimal properties to accommodate a morphotropic phase boundary (MPB) in their composition-temperature phase diagram, a crucial feature for high piezoelectric... more
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We studied the dynamics of excitons excited in layered semiconductor PbI 2 nanoclusters (NCLs) using time-resolved photoluminescence (TRPL) spectroscopy. TRPL spectra reveal formation of self-trapped excitons (STEs). It was shown that the... more
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      EngineeringMaterials EngineeringCondensed Matter PhysicsAnalytical Chemistry
We investigate the electronic structure of over-coordinated defects in amorphous silicon via density-functional total-energy calculations, with the aim of understanding the relationship between topological and electronic properties on a... more
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      Materials EngineeringCondensed Matter PhysicsMaterials ScienceComputational Materials Science
We present a new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite... more
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We study in detail by means of ab-initio pseudopotential calculations the electronic structure of five-fold coordinated (T5) defects in a-Si and a-Si:H, also during their formation and their evolution upon hydrogenation. The... more
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    • Metallic Glass