Materials Literature
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We present molecular dynamics simulations of the binary Kob-Andersen Lennard-Jones model, a model glass former, and consider the distributions of inherent energies and metabasins during aging. In addition to the typical protocol of performing a temperature jump from a high temperature to a low destination temperature,…
The purpose of this paper is to investigate the dynamics of the fluorescence mechanism of boradiazaindacene (BODIPY) dye molecules, which are covalently bound to a polyethylene glycol based hydrogel structure with different concentrations, using a picosecond time-resolved spectroscopic technique. Since the hydrogel st…
The encapsulation of a nanometer-sized octahedral anionic rhenium cluster complex with six terminal hydroxo ligands [Re(6)S(8)(OH)(6)](4-) in maltose-decorated poly(propylene amine) dendrimers (POPAM, generation 4 and 5) has been investigated. Ultrafiltration experiments showed that maximal loading capacity of the den…
The piezoelectric response of BaTiO(3) is studied in the vicinity of the cubic to tetragonal phase transition, as a function of temperature and the applied electric field in the polar direction. We also investigate the influence of disorder. In the clean limit we obtain the divergence of the piezoelectric tensor at th…
We present a facile, broadly applicable method to prepare nanoporous silver films using soluble salt nanoparticles as pore templates. The fabrication starts by printing a silver/CaCO 3 nanoparticle based ink onto a flexible substrate and removing the CaCO 3 by washing in a weak acid. The membrane thickness and pore si…
A rate-independent dislocation and defect density-based evolution model is presented that captures the pre- and post-yield material behavior of fcc metals subjected to different doses of neutron radiation. Unlike previously developed phenomenological models, this model is capable of capturing the salient features of i…
Structures of layered metal hydroxides are not well described by traditional crystallography. Total scattering from a synthesis-controlled subset of these materials, as described here, reveals that different cobalt coordination polyhedra cluster within each layer on short length scales, offering new insights and appro…
The A2BO4 spinel oxides are distinguished by having either a normal (N) or an inverse (I) distribution of the A, B cations on their sublattices. A point-ion electrostatic model parametrized by the oxygen displacement parameter u and by the relative cation valencies Z{A} vs Z{B} provides a simple rule for the structura…
We present an experimental and theoretical study of liquid ${\text{As}}_{2}{\text{Te}}_{3}$. This alloy exhibits a negative thermal expansion (NTE) in a 250 K range above the melting temperature ${T}_{m}=654\text{ }\text{K}$. We evidence the changes in ${\text{As}}_{2}{\text{Te}}_{3}$ structure by measuring neutron-di…
Macroscopic physical properties of the novel layered superconducting system ${\text{Fe}}_{1+\ensuremath{\delta}}{\text{Te}}_{1\ensuremath{-}x}{\text{Se}}_{x}$ were investigated by means of magnetic-susceptibility, electric resistivity, and heat-capacity measurements. In addition to the substitution effect of the Te si…
The doping dependence of the occupied $3d$ states at the Mn sites of ${\text{La}}_{1\ensuremath{-}x}{\text{Sr}}_{1+x}{\text{MnO}}_{4}$ ($x=0$, 0.3, and 0.5) was studied by means of nonresonant hard x-ray emission spectroscopy. For the single-crystalline samples, we observe a linear dichroism of the $\text{Mn}\text{ }K…
Magnetic properties of thin composite films, consisting of non-interacting polystyrene-coated γ-Fe(2)O(3) (maghemite) nanoparticles embedded into polystyrene-block-polyisoprene P(S-b-I) diblock-copolymer films are investigated. Different particle concentrations, ranging from 0.7 to 43 wt%, have been used. The magnetiz…
Measurements of electrical resistivity $(\ensuremath{\rho})$, dc magnetization $(M)$, and specific heat $(C)$ have been performed on layered oxide ${\text{Li}}_{x}{\text{CoO}}_{2}$ $(0.25\ensuremath{\le}x\ensuremath{\le}0.99)$ using single-crystal specimens. The $\ensuremath{\rho}$ versus temperature $(T)$ curve for $…
Properties of alkaline-earth-filled skutterudite antimonides based on Fe and Ni are studied using first-principles calculations and Boltzmann transport theory. We find heavy conduction bands and a light-band-heavy-band mixture in the valence bands. The thermopower at high temperature is high for high carrier concentra…
Unique properties of gold nanoparticles (AuNPs) can be achieved by manipulating their geometries. However, it is not known if the shapes and sizes of AuNPs can be modulated in planta. Here, we evaluated the accumulation of gold across taxonomically diverse plant species (alfalfa, cucumber, red clover, ryegrass, sunflo…
A frequently employed boundary condition for H permeation of membranes is p down ≈ 0 and, for this case, the flux is given by J = ( KD H / d ) p up n, where K is a constant and d is the membrane thickness. Values of n can then be obtained from slopes of plots of ln J against ln p up . When the H solution is ideal, n =…
Conductive plastics are attracting more and more interest in electronics due to their light weight and inability to rust, which are common problems associated with metals. The field of conducting plastics is not new. Much work has been done to impart electrical conductivity to mechanically strong polymers such as poly…
We perform lattice Monte Carlo simulation using the bond-fluctuation model to examine the conformation and dynamic properties of a single small flexible ring polymer in the matrix of linear chains as functions of the degree of polymerization of the linear chains. The average conformation properties as gauged by the me…
Various fundamental properties of acoustic cavitation bubbles have been investigated in single- and dual-frequency sound fields. It was found that the relative extent of bubble coalescence in the dual-frequency field correlated strongly with the synergistic enhancement of the sonochemical reaction rates. Both the rela…
A series of hexagonal mesoporous germanium semiconductors with tunable wall thickness is reported. These nanostructures possess uniform pores of 3.1-3.2 nm, wall thicknesses from 1.3 to 2.2 nm, and large internal BET surface area in the range of 404-451 m(2)/g. The porous Ge framework of these materials is assembled f…