Materials Literature
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We use a simple density functional approach on a diffusional time scale, to address freezing to the body-centered cubic (bcc), hexagonal close-packed (hcp), and face-centered cubic (fcc) structures. We observe faceted equilibrium shapes and diffusion-controlled layerwise crystal growth consistent with two-dimensional…
Abstract Seven different solvents (methanol, ethanol, 2‐propanol, 1,2‐dichloroethane, water, chloroform, and dichloromethane) were used to prepare electrospun poly(vinyl pyrrolidone) (PVP) fibers. The dielectric constant, viscosity, and surface tension of the solvents essentially affected the electrospinnability, morp…
Indocyanine green (ICG) is a fluorescent probe used in various optically mediated diagnostic and therapeutic applications. However, utility of ICG remains limited by its unstable optical properties and nonspecific localization. We have encapsulated ICG within electrostatically assembled mesocapsules (MCs) to explore i…
Abstract A stable aqueous nanocomposite dispersion containing cellulose whiskers and a poly(styrene‐ co ‐hexylacrylate) matrix was prepared via miniemulsion polymerization. We were able to prepare a stable dispersion with a 20 wt % solid content and a cellulose whiskers content ranging from 1 up to 5 wt % based on pol…
Current auto- and cross-correlations are studied in a system of two capacitively coupled quantum dots. We are interested in a role of Coulomb interaction in dynamical correlations, which occur outside the Coulomb blockade region (for high bias). After decomposition of the current correlation functions into contributio…
We report anisotropic thermal expansion of the parent, AEFe2As2 (AE = Ba, Sr, and Ca), compounds. Above the structural/antiferromagnetic phase transition anisotropy of the thermal expansion coefficients is observed, with the coefficient along the a-axis being significantly smaller than the coefficient for the c-axis.…
High-resolution photoemission spectroscopy and realistic ab-initio calculations have been employed to analyze the onset and progression of d-sp hybridization in Fe impurities deposited on alkali metal films. The interplay between delocalization, mediated by the free-electron environment, and Coulomb interaction among…
Abstract The performance of eleven DFT functionals in describing the equilibrium structure and the vibrational spectra at the Γ point of pyrope (Mg 3 Al 2 Si 3 O 12 ), forsterite (α‐Mg 2 SiO 4 ), α‐quartz (α‐SiO 2 ) and corundum (α‐Al 2 O 3 ) is discussed. The four systems, for which accurate experimental data are ava…
We present a theoretical study of the influence of magnetic viscosity on current-driven domain wall dynamics. In particular we examine how domain wall depinning transitions, driven by thermal activation, are influenced by the adiabatic and nonadiabatic spin-torques. We find the Arrhenius law that describes the transit…
We propose an experiment allowing an observation of Zitterbewegung (ZB, trembling motion) of electrons in graphene in the presence of a magnetic field. In contrast to the existing theoretical work we make no assumptions concerning shape of the electron wave packet. A femtosecond Gaussian laser pulse excites electrons…
Based on the first-principles electronic structure calculations, we predict that a chromium oxide ${\text{K}}_{2}{\text{Cr}}_{8}{\text{O}}_{16}$ of hollandite type should be a half-metallic ferromagnet where the Fermi level crosses only the majority-spin band, whereas the minority-spin band has a semiconducting gap. W…
Using muffin-tin orbital (MTO) based NMTO-downfolding procedure within the framework of local density approximation, we construct the Wannier orbitals for the $t_{2g}$ manifold of bands in V2O3 in the paramagnetic phase. The real space representation of the one-electron Hamiltonian in the constructed Wannier function…
We study the electron spin dynamics in p-type GaAs doped with magnetic Mn acceptors by means of time-resolved pump-probe and photoluminescence techniques. Measurements in transverse magnetic fields show a long spin relaxation time of 20 ns that can be uniquely related to electrons. Application of weak longitudinal mag…
Flux dynamics in an annular long Josephson junction is studied. Three main topics are covered. The first is chaotic flux dynamics and its prediction via Melnikov integrals. It turns out that DC current bias cannot induce chaotic flux dynamics, while AC current bias can. The existence of a common root to the Melnikov i…
Magnetic nanoparticles of La0.67Sr0.33MnO3 (LSMO) manganite with mean particle sizes of 13, 16, 18 and 21 nm were prepared by the sol-gel method. The crystal structure and mean particle size of the synthesized powders were estimated by X-ray diffraction (XRD) analysis using rietveld refinement and transmission electro…
The separation of photogenerated polaron pairs in organic bulk heterojunction solar cells is the intermediate but crucial step between exciton dissociation and charge transport to the electrodes. In state-of-the-art devices, above 80% of all polaron pairs are separated at fields of below $10^7$V/m. In contrast, consid…
In this paper, surface effects on the axial buckling and the transverse vibration of nanowires are examined by using the refined Timoshenko beam theory. The critical compression force of axial buckling and the natural frequency of nanowires are obtained analytically, in which the impacts of surface elasticity, residua…
A facile, rapid, and scalable electrophoretic deposition approach is developed for the fabrication of large-area chemically derived graphene films on conductive substrates based on the electrophoretic deposition of graphene oxide and reduced graphene oxide components. Two distinctive approaches for fabricating conform…
The recent discoveries of novel nanocomposite and doped lead chalcogenide-based thermoelectric materials have attracted great interest. These materials exhibit low thermal conductivity which is closely related to their lattice dynamics and thermodynamic properties. In this paper, we report a systematic study of electr…
This paper examines the impact responses of reinforced concrete (RC) beams through an experimental study and presents an analytical model developed to predict the maximum midspan deflection and maximum impact load, which aids as an important performance index to evaluate the damage levels of RC beams when subjected to…