Materials Literature
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The initial-boundary value problem of the system research on the concentration and electrical fields in the double-electrode electrochemical device is suggested and solved. The problems on the conjugation of fields are considered. The electric equivalent circuit of the electrochemical device as an object with distribu…
Abstract We present calculations of frequency‐dependent complex dielectric function of dense aluminum plasma by quantum molecular dynamics method for temperatures up to 20 kK. Analysis shows that the dependencies for real and imaginary parts can be interpolated by the Drude formula with two effective parameters: the m…
A quantum Monte Carlo study of the atomization energies for the G2 set of molecules is presented. Basis size dependence of diffusion Monte Carlo atomization energies is studied with a single determinant Slater-Jastrow trial wavefunction formed from Hartree-Fock orbitals. With the largest basis set, the mean absolute d…
We present a systematic study of the performance of numerical pseudo-atomic orbital basis sets in the calculation of dielectric matrices of extended systems using the self-consistent Sternheimer approach of [F. Giustino et al., Phys. Rev. B 81 (11), 115105 (2010)]. In order to cover a range of systems, from more insul…
Using a linear array of voltage electrodes with a separation of several micrometers on a 20 nm thick and 30 μm long multigraphene sample, we show that the measured resistance does not follow the usual length dependence according to Ohm’s law. The deviations can be quantitatively explained taking into account Sharvin-K…
The high-pressure melting curve of tantalum (Ta) has been the center of a long-standing controversy. Sound velocities along the Hugoniot curve are expected to help in understanding this issue. To that end, we employed a direct-reverse impact technique and velocity interferometry to determine sound velocities of Ta und…
We demonstrate that the dispersion of surface plasmon polaritons in a periodically perforated gold film can be efficiently manipulated by femtosecond laser pulses in spectral regions far from the intrinsic gold resonances. Using a time- and frequency-resolved pump-probe technique we observe shifting of the plasmon pol…
Nata de coco, a dessert originally from the Philippines is produced by fermentation of coconut water with a culture of Acetobacter xylinum, a gram negative bacterium. Acetobacter xylinum metabolizes glucose in coconut juice and converts it into bacterial cellulose that has unique properties including high purity, crys…
This paper deals with the design and microfabrication of two three-dimensional (3D) freestanding patterned strain sensors made of single-walled carbon nanotube (SWCNT) nanocomposites with the ultraviolet-assisted direct-write (UV-DW) technique. The first sensor consisted of three nanocomposite microfibers suspended be…
UNLABELLED: Edible coatings made of whey protein isolate (WPI), pea starch (PS), and their combinations with carnauba wax (CW) were prepared and characterized. WPI combined with CW formed stable emulsion while PS with CW formed unstable emulsion and both formulations produced non-homogeneous films. Addition of PS to W…
We present the synthesis of dual-responsive (pH and temperature) magnetic core-shell nanoparticles utilizing the grafting-from approach. First, oleic acid stabilized superparamagnetic maghemite (γ-Fe(2)O(3)) nanoparticles (NPs), prepared by thermal decomposition of iron pentacarbonyl, were surface-functionalized with…
In this work, we propose dislocation mechanisms for the formation of double twin structures in hexagonal close packed (HCP) crystals through the nucleation of secondary twins within primary twin domains. The model considers that secondary twins associated with the most commonly observed double twin variants (i.e. type…
BACKGROUND: Superparamagnetic iron oxide nanoparticles are attractive materials that have been widely used in medicine for drug delivery, diagnostic imaging, and therapeutic applications. In our study, superparamagnetic iron oxide nanoparticles and the anticancer drug, doxorubicin hydrochloride, were encapsulated into…
In our previous work [ Macromolecules 2010, 43, 1191–1194], we synthesized dynamic covalent cross-linked polymer gels through condensation of acylhydrazines at the chain ends of poly(ethylene oxide) (A 2 ) and aldehyde groups in tris[(4-formylphenoxy)methy]ethane (B 3 ) and reported reversible sol–gel transition and s…
We discuss two research projects in material science in which the results cannot be stated with an estimation of the error: a spectroscopic ellipsometry study aimed at determining the orientation of DNA molecules on diamond and a scanning tunneling microscopy study of platinum‐induced nanowires on germanium. To invest…
We study theoretically the multiferroic dynamics in a composite one-dimensional system consisting of BaTiO${}_{3}$ multiferroically coupled to an iron chain. The method treats magnetization and polarization as thermodynamic quantities describable via a combination of the Landau-Lifshits-Gilbert and the Ginzburg-Landau…
Nanowire-based light-emitting devices require multi-quantum well heterostructures with high room temperature optical efficiencies. We demonstrate that such efficiencies can be attained through the use of ZnO/Zn((1-x))Mg(x)O core-shell quantum well heterostructures grown by metal organic vapor phase epitaxy. Varying th…
We study the exchange and correlation hole of the valence shell of second row atoms using variational Monte Carlo techniques, especially correlated estimates, and norm-conserving pseudopotentials. The well-known scaling of the valence shell provides a tool to probe the behavior of exchange and correlation as a functio…
A linear-algebraic theory called 'multiple Arnoldi method' is presented and realizes large-scale (order-N) electronic structure calculation with generalized eigen-value equations. A set of linear equations, in the form of (zS-H) x = b, are solved simultaneously with multiple Krylov subspaces. The method is implemented…
Invited expert opinion on the article S. Kremer and R. Fresard, Ann. Phys. (Berlin) 524, 21 (2012).