Materials Literature
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We present molecular dynamics simulations of solid NaNO$_2$ using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an \emph{a priori} method which integrates the \emph{ab initio} calculations with the Gordon-Kim electron gas theory. This approach is carefully examined by u…
We study the dynamics of flat circular permalloy nanomagnets for 1.) magnetic vortex and 2.) single-domain configurations, using micromagnetic simulation. Dynamical studies for isolated vortex structures show that both the vorticity and the central polarity of the out-of-plane component can be switched fast (50-100 ps…
The electronic and atomic structures of several $(1\ifmmode\times\else\texttimes\fi{}1)$ terminations of the (110) polar orientation of the ${\mathrm{SrTiO}}_{3}$ surface are systematically studied by first-principles calculations. The electronic structure of the two stoichiometric SrTiO and ${\mathrm{O}}_{2}$ termina…
We report an experimental study of the time dependence of resistivity of a La$_{0.9}$Sr$_{0.1}$MnO$_{3}$ ultrathin film in order to elucidate the underlying mechanism for metal-insulator transition and colossal magnetoresistance CMR effect. There is a clear change of sign in the resistive relaxation rate across the me…
Equilibrium spin configurations and their stability limits have been calculated for models of magnetic superlattices with a finite number of thin ferromagnetic layers coupled antiferromagnetically through (non-magnetic) spacers as Fe/Cr and Co/Ru multilayers. Depending on values of applied magnetic field and unaxial a…
Fluorine-19 NMR solution measurements have been made for various phenyl-fluorinated iron porphyrin complexes. Large chemical shifts for phenyl fluorine signals of iron(III) and iron(II) are observed, and these signals are sensitive to electronic structure. The chemical shift differences in ortho-phenyl fluorine signal…
The title polyoxometalate (POM), A-a-[Si(NbO2)3W9O37〕7-(A-a-1)1 was shown to have potent anti-HIV-1 activity (median effective antiviral concentration against HIV-1 in human peripheral blood mononuclear cells (PBMC), EC50, -1 /IM) while being minimally cytotoxic (median inhibitory concentration, IC50, >100 p.M also in…
Measurement of refractive indices in the spectral bands 9-11 microm and 1.32 microm from a cw CO2 laser and a Q-switched Nd:YAG laser, respectively, is reported in a ZnGeP2 crystal. A new set of Sellmeier dispersion relations has been derived from the measured refractive indices data in this crystal. Second-harmonic g…
Using stochastic conformal mapping techniques we study the patterns emerging from Laplacian growth with a power-law decaying threshold for growth $R_N^{-γ}$ (where $R_N$ is the radius of the $N-$ particle cluster). For $γ> 1$ the growth pattern is in the same universality class as diffusion limited aggregation (DLA) g…
Using stochastic conformal mappings we study the effects of anisotropic perturbations on diffusion limited aggregation (DLA) in two dimensions. The harmonic measure of the growth probability for DLA can be conformally mapped onto a constant measure on a unit circle. Here we map $m$ preferred directions for growth of a…
DW Tomlin, LV Natarajan, VP Tondiglia, RL Sutherland, TJ Bunning; Morphology of Holographic Polymer Dispersed Liquid Crystal Reflection Gratings Written in
We report Raman investigations on stable and metastable phases of cyanoadamantane plastic crystal, which gives an orientational glassy state upon a deep undercooling below 175 K. The isothermal transformation of the metastable quenched plastic phase is systematically analyzed for quenches in the 180−250 K temperature…
Experimental observation of the transformation of cubic symmetry from face-centred cubic (f.c.c.) to body-centred cubic (b.c.c.) for spherical microdomains upon uniaxial stretching of poly(1,3-cyclohexadiene)- block -poly(ethylene-co-but-1-ene)- block -poly(1,3-cyclohexadiene) triblock copolymer, having φ PCHD = 0.293…
We present here the synthesis, characterization, and flash photolysis study of [(F(8)TPP)Fe(II)(CO)(THF)] (1) [F(8)TPP = tetrakis(2,6-difluorophenyl)porphyrinate(2-)]. Complex 1 crystallizes from THF/heptane solvent system as a tris-THF solvate, [(F(8)TPP)Fe(II)(CO)(THF)].3THF (1.3THF), with ferrous ion in the porphyr…
Atomistic and quantum DFT calculations are carried out for models of Ce 0.5 Zr 0.5 O 2 mixed oxide having different cation orderings within a fluorite-type structure. The DFT results are more accurate than those given by the atomistic calculations; these latter exaggerate oxygen sublattice distortions and energy diffe…
M J Campin, J C Barbour, J W Braithwaite, P P Provencio, J G Zhu; Microstructural Studies of the Initial Stages of Copper Sulfide Film Growth: Influence of
Time-resolved small-angle X-ray scattering (TR-SAXS) studies of the structural changes in a block copolymer after a temperature jump are reported. The sample used was a polystyrene- block -poly(ethylene- alt -butylene)- block -polystyrene (SEBS) triblock copolymer, which has a number-average molecular weight of 54000…
Image analysis of semi-crystalline polymer systems in reciprocal space allows quantitative measurement of characteristic periodicities of the material. This paper proposes numerical techniques for the computation of power spectral densities (PSD) and correlation functions, appropriate to this objective, along with a t…
Poly( N -vinylcaprolactam) (PVCL) is a synthetic analogue of biomolecules (enzymes, proteins). It demonstrates a specific hydration and undergoes a coil–globule transition. The PVCL–D 2 O system (PVCL mass M = 10 6 ) has been investigated by small-angle neutron scattering (SANS) at T = 296–316 K to identify the struct…
[reaction: see text] The redox chemistry of pi-extended squaraines is investigated using cyclic voltammetry, in-situ spectroelectrochemistry and quantum chemical calculations. Squaraine 1 is reversibly oxidized to the radical cation and dication whereas reduction shows limited electrochemical but fully chemical revers…