Applying pore size analysis, Monte Carlo simulations, and transition state theory, we study the molecular sieving properties of recently discovered crystalline exotic cubic carbon allotropes (Hu et al., J. Phys. Chem. C, 2012, 116, 24233-24238) at 298 K and infinite dilution. The fcc-C10 cubic carbon crystal shows unusual molecular sieving characteristics. The carbon cavities of the fcc-C10 cub...

The main focus of this research was to apply Metabolic Control Analysis to quantitative investigation of the regulation of respiration by components of the Mitochondrial Interactosome (MI, a supercomplex consisting of ATP Synthasome, mitochondrial creatine kinase (MtCK), voltage dependent anion channel (VDAC), and tubulin) in permeabilized cardiomyocytes. Flux control coefficients (FCC) were me...

Recent molecular dynamics simulations of the growth of @Ni0.8Fe0.2 /Au# multilayers have revealed the formation of misfit-strain-reducing dislocation structures very similar to those observed experimentally. Here we report similar simulations showing the formation of edge dislocations near the interfaces of vapor-deposited ~111! @NiFe/CoFe/Cu# multilayers. Unlike misfit dislocations that accomm...

We extend our recent study of adsorption on fcc (112) to fcc (335) surfaces, still considering only first- and second-neighbor interactions with repulsive first-neighbors. We consider the adsorbate-substrate interaction on the step sites of one of the two edges of the infinitely long terraces to be different from that on the remaining sites. The adsorption features on fcc (335) surfaces are ric...

Under pressure cesium undergoes a transition from a high-pressure fcc phase (Cs-II) to a collapsed fcc phase (Cs-III) near 4.2GPa. At 4.4GPa there follows a transition to the tetragonal Cs-IV phase. In order to investigate the lattice vibrations in the fcc phase and seek a possible dynamical instability of the lattice, the phonon spectra of fcc-Cs at volumes near the III to IV transition are ca...

Family-centred care (FCC) is widely used in paediatrics, but is largely untested by rigorous research. As such a critical discourse on its implementation is necessary. Underpinning FCC, and probably the cause of most of the difficulties in its effective implementation, is the importance of effective relationships between the parents of admitted children and health professionals. This paper disc...

Fe,,Mn, alloys undergo fcc-bcc (y-a) and fcc-hcp (y-E) transformations for about 0<x<10 at % and 15<x<30 at% respectively. The product phase in the region 10<x<15 at. % is mixed a+€ and ~ + y . The y-a transformation in Fe-Mn is similar to that in Fe-rich Fe-Ni alloys where the transformation takes place between a high-temperature dense fcc structure and a lowtemperature more open bcc structure...

Electron microscopy was employed to investigate the structure of magnetic field crystallized (Co1 xFex)89Zr7B4 alloys with only dilute Fe-contents (x=0, 0.025, 0.05, and 0.10). The x=0.025 and 0.05 alloys exhibit very large field induced anisotropies and multiple nanocrystalline phases (BCC, FCC, and HCP) surrounded by an intergranular amorphous phase. Correlation between the volume fraction cr...

The Body Centered Cubic (BCe) and Face Centered Cubic (FCC) lattices along with a set of box splines for sampling and reconstruction of trivariate functions are proposed. The BCC lattice is demonstrated to be the optimal choice of a pattern for generic sampling purposes. While the FCC lattice is the second best choice for this purpose, both FCC and BCC lattices significantly outperform the accu...

:האצרהה ריצקת להל Understanding dislocation nucleation is essential to control plasticity of defect-free specimen. Free surfaces in metallic materials become increasingly important as the dimensions are minimized into the sub-micrometer scale. In result, there is an inverse relation between their strength and the characteristic microstructural length scale. In this talk, we present an atomisti...