Materials Literature
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We determined the ionic and electronic structure of sodium clusters with even electron numbers and 2 to 59 atoms in axially averaged and three-dimensional density functional calculations. A local, phenomenological pseudopotential that reproduces important bulk and atomic properties and facilitates structure calculatio…
We study the effect of general nonlinear force laws in viscoelastic lattice models of fracture, focusing on the existence and stability of steady-state Mode III cracks. We show that the hysteretic behavior at small driving is very sensitive to the smoothness of the force law. At large driving, we find a Hopf bifurcati…
We study the equilibrium domain structure and magnetic flux around a ferromagnetic (FM) film with perpendicular magnetization M_0 on a superconducting (SC) substrate. At 4πM_0> 1. Here λ_L is the London penetration length. For 4πM_0 > H_{c1} and l_{N} in excess of about 35 λ_{L}, the domains are connected by SC vortic…
Magnetic, electric and structural properties of La$_{0.96-y}$Nd$_y$K$_{0.04}$MnO$_{3+δ}$ with 0$\leq y \leq$0.4 have been studied experimentally. A disordered magnetic state is formed as La is substituted by Nd, reflecting the competition between ferromagnetic (FM) double exchange and antiferromagnetic superexchange i…
The equations for phase transitions temperatures, order parameters and critical concentrations of components have been derived for mixed ferroelectrics. The electric dipoles randomly distributed over the system were considered as a random field sources. We derive a random field distribution function for different orie…
We calculate the "head" element or the (0,0)-element of the wave-vector and frequency-dependent dielectric matrix of bulk crystals via first-principles, all-electron Kohn-Sham states in the integral of the irreducible polarizability in the random phase approximation. We approximate the macroscopic "head" element of th…
We report on the microstructural and electrical properties of Mg-doped Ba0.6Sr0.4TiO3 thin films prepared by the metalorganic solution deposition technique using carboxylate-alkoxide precursors at a postdeposition annealing temperature of 750 °C. The structure and morphology of the films were analyzed by x-ray diffrac…
The rheological data of weakly attractive colloidal particles are shown to exhibit a surprising scaling behavior as the particle volume fraction, straight phi, or the strength of the attractive interparticle interaction, U, are varied. There is a critical onset of a solid network as either straight phi or U increase a…
Fluorescence light observed from a single nitrogen-vacancy center in diamond exhibits strong photon antibunching: The measured pair correlation function g((2))(0) shows that only one photon is emitted at a time. Nitrogen-vacancy centers are well localized, stable against photobleaching even at room temperature, and ca…
Several organic liquid-phase reactions are carried out in the presence of a sparingly soluble reactive solid phase which is gradually dissolved during the course of the reaction. The presence of the reactive solid phase complicates the treatment of kinetic data, since the overall reaction rate is influenced by the sol…
The collective dynamics of a simple model colloidal suspension, namely, a two-dimensional Brownian Yukawa fluid, is studied by Brownian dynamics simulations without hydrodynamic interactions. The results for the intermediate scattering function F(k,t) are employed to assess the quantitative and qualitative accuracy of…
Changes in ionic composition (i.e., doping) accompany changes in the redox level of conducting polymers such as polypyrrole. These processes are of paramount interest because they often control the polymer's charge capacity and, more importantly, its rates of oxidation and reduction (i.e., charge and discharge). The m…
A new application of the simulated annealing Monte Carlo procedure is presented and applied to the extraction of the relaxation time distribution from dielectric spectroscopy either in time or frequency domain. This decomposition method named simulated annealing direct signal analysis (SADSA), is applied to computer g…
A new series of Mo(VI) monophosphates containing Te(IV), A 2 TeMo 2 O 6 (PO 4 ) 2 with A = K, Rb, Tl, Cs, has been synthesized. Their crystal structure, determined from single crystals in the Pbcn space group ( a ≈ 12.55−12.37 Å, b ≈ 8.63−9.49 Å, c ≈ 11.13−11.51 Å), consists of corner-sharing PO 4 tetrahedra, MoO 6 oc…
Citrate lyase (EC 4.1.3.6) catalyzes the cleavage of citrate to acetate and oxaloacetate and is composed of three subunits (alpha, beta, and gamma). The gamma-subunit serves as an acyl carrier protein (ACP) and contains the prosthetic group 2'-(5' '-phosphoribosyl)-3'-dephospho-CoA, which is attached via a phosphodies…
An unusual adduct, [{Pt 2 Ag 4 (C⋮C- t -Bu) 8 ·(bipy)}] ∞ ( 3 ), has been obtained from the reaction of the hexanuclear cluster [Pt 2 Ag 4 (C⋮C- t -Bu) 8 ] ( 1 ) with 2,2‘-bipy independently of the molar ratio (1:1 or 1:excess) employed. The crystal structure of 3 shows the presence of an extended polymeric chain cons…
In our current discussion of the thermodynamics and molecular kinetics of glass-forming liquids, the entropy is extrapolated below a liquid’s vitrification temperature Tg along a curve of progressively increasing slope until a temperature Tk is reached. Here the entropy and heat capacity, Cp, of the equilibrium liquid…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTSynthesis of Nanocrystalline Bismuth in Reverse MicellesEdward E. Foos, Rhonda M. Stroud, Alan D. Berry, Arthur W. Snow, and J. Paul ArmisteadView Author Information Chemistry Division, Code 6174 Naval Research Laboratory, Washington, D.C. 20375 Cite this: J. Am. Chem.…
Two different polymorphic forms of free base phthalocyanine films have been grown on glass substrates by ultrahigh vacuum organic molecular beam deposition. Postgrowth annealing of films grown at room temperature leads to transformation from the α to the β 1 phase. The effects of annealing lead to a number of transiti…
All-optical switching of selectively reflected colors based on isomerization of an azobenzene (Azo) and subsequent change in transmittance was investigated in cholesteric liquid crystals (LCs) which reflect light in the visible region. Photoirradiation at 366 nm, which causes an efficient trans-cis isomerization of Az…