The activation energy for the surface self-diffusion of epitaxial erbium crystals grown on a tungsten field emitter tip has been examined. It was found to be strongly dependent both on the crystallographic orientation of the tip and the direction of electric field applied. The values of the activation energy, calculated from Arrhenius-type plots, and also field emission patterns of epitaxial Er...

Carotenoids play the dual function of light harvesting and photoprotection in photosynthetic organisms. Despite their functional importance, the molecular basis for binding of carotenoids in the photosynthetic proteins is poorly understood. We have discovered that all carotenoids are surrounded either by aromatic residues or by chlorophylls in all known crystal structures of the photosynthetic ...

Nonlinear simulation with a simple resistive magnetohydrodynamics model is used to investigate the stabilization of magnetic fluctuations in reversed-field pinch plasmas subject to pulsedparallel current drive (PPCD). Numerical results are diagnosed with computations of nonlinear power transfer and by evaluating sequences of profiles for linear stability. Results show that poloidal electric fie...

The manufacturing of single crystals of multi-component materials with uniform material properties is frequently hampered by the presence of morphological instabilities during the solidification. In this paper we extend into the nonlinear regime our previous work on the influence of shear flows on the linear stability of the solid/liquid interface during the directional solidification of binary...

in this study, the interaction between no2+ cation and hen (n = 1-7) clusters is investigated by means of ab initio calculations at mp2/aug-cc-pvtz and qcisd/aug-cc-pvtz computational levels. the first and second solvation shells were obtained while n atom of no2+ interacts with five and two he atoms, respectively. stabilization energies of the studied complexes including basis set superpositio...

Crystal structure prediction for organic molecules requires both the fast assessment of thousands to millions of crystal structures and the greatest possible accuracy in their relative energies. We describe a crystal lattice simulation program, DMACRYS, emphasizing the features that make it suitable for use in crystal structure prediction for pharmaceutical molecules using accurate anisotropic ...

The probability that an atom of hydrogen, initially in the 5g(m = 4) state, survives a 90-fs pulse of 620 nm wavelength is calculated both by direct integration of the time-dependent Schrödinger equation and by a Floquet calculation. The two methods give virtually identical results. The survival probability calculated for a one-electron model of neon, for the same initial state, pulse duration ...