Measurement of angular dependence of M X-ray production cross-sections in Re,Bi and U at 5.96 keV

The M X-ray production differential cross sections in Re, Bi and U elements have been measured at the 5.96 keV incident photon energy in an angular range 135°–155°. The measurements were performed using a ⁵⁵Fe source and a Si(Li) detector. The present results contradict the predictions of Cooper and Zare [Atomic Collision Processes, Gordon and Breach, New York (1969)] and experimental results of Kumar et al. [J. Phys. B: At. Mol. Opt. 34, 613 (2001)]. that, after photoionization of inner shells, the vacancy state has equal population of magnetic substates and the subsequent X-ray emission is isotropic, but confirm the predictions of the calculations of Flügge et al. [Phys. Rev. Lett. 29, 7 (1972)] and experimental results of Sharma and Allawadhi [J. Phys. B: At. Mol. Opt. 32, 2343 (1999)] and Ertugrul [Nucl. Instrum. Meth. B 119, 345 (1996)]. Total M X-ray production cross sections from the decay at the 5.96 keV photon energies are found to be in good agreement with the calculated theoretical results using the theoretical values of M shell photoionization cross section.     

Fabrication and characterization of TS-1 films on α-Al2O3 substrates using TiCl3 as titanium source

The continuous and highly intergrown anatase-free TS-1 film was fabricated with TiCl₃ as the titanium source for the first time. The in situ nucleation and secondary growth method was employed to synthesize the TS-1 film. By means of scanning electron microscopy (SEM) images, X-ray diffraction (XRD) patterns, and FT-IR and UV-vis spectra measurements, the resulting film was observed to be anatase-free, continuous and highly intergrown with the MFI-type structure, and the Ti atoms existed only in tetrahedral coordination.     

Minireview: The compact phase in polymers and proteins

Proteins are linear molecules. However, the simple model of a polymer viewed as spheres tethered together does not account for many of the observed characteristics of protein structures. Here we review some recent works tackling this problem. In particular, we will show that there is a growing evidence suggesting that the compact structures of folded proteins are selected in their gross topological features based on geometry and symmetry rather than on sequence consideration. They are poised at the edge of compaction, thus accounting for their flexibility. Different aspects of protein behavior can be rationalized by studying how the energy landscape of a single chain in the marginally compact phase can be modified.     

The effect of diffusion and overhangs/vacancies on the microstructure of zig-zag thin film

Basing on some growth models of thin film, we have investigated the growth mechanism of glancing angle deposition (GLAD) film. The simulation verifies that the overhangs/vacancies also contribute to the columnar growth as well as the self-shadowing effect for GLAD thin film. Besides, we have studied the effect of the deposition rate, surface and bulk diffusions on the microstructure of thin film using the time-dependent Monte Carlo method. The results show that the surface and bulk diffusions can significantly enhance the packing density of thin film in GLAD growth, and the increase of the deposition rate induce the moderate decrease of the packing density.     

Elastic Interaction between a String of Cells and an Individual Cell

The elastic interaction between a string of cells and an individual cell on an elastic substrate is investigated numerically using the force-dipole model. This interaction is found to be of short range, and the cut-off distance is about 1.4 times of the length of the cell. The energy-minimization distance is about half the cellular length. The specific relationship between the cellular reorientation and the cellular position are obtained quantitatively. A critical distance is found, and the cellular orientation has an abrupt change at this transition point.     

Roughness scaling and sensitivity to initial conditions in a symmetric restricted ballistic deposition model

In this work, we introduce a restricted ballistic deposition model with symmetric growth rules that favors the formation of local finite slopes. It is the simplest model which, even without including a diffusive relaxation mode of the interface, leads to a macroscopic groove instability. By employing a finite-size scaling of numerical simulation data, we determine the scaling behavior of the surface structure grown over a one-dimensional substrate of linear size L. We found that the surface profile develops a macroscopic groove with the asymptotic surface width scaling as , with . The early-time dynamics is governed by the scaling law , with . We further investigate the sensitivity to initial conditions of the present model by applying damage spreading techniques. We find that the early-time distance between two initially close surface configurations grows in a ballistic fashion as , but a slower Brownian-like scaling () sets up for evolution times much larger than a characteristic time scale . Received 26 May 2000     

Sequential double Auger decay in atoms: A quantum informatic analysis

We theoretically show that the process of inner-shell photoionization in an atom A, followed by the spontaneous sequential emission of two Auger electrons, produces various kinds of spin-entangled states of three flying electronic qubits. All properties of these states are completely pre-determined by the total spin quantum numbers of the electronic states of four atomic species (i.e., A, A^+∗, A2^+∗, A3+) participating in this process in the Russell-Saunders coupling. These tripartite states are readily characterized experimentally by measuring only energies of the three emitted electrons, without requiring any entanglement witness or other such protocols.     

First-principles study of lattice dynamics of LiFePO4

Lattice dynamics of lithium iron orthophosphate (LiFePO₄) isostructural with olivine have been investigated using the first-principles calculations taking into account the on-site Coulomb interaction within the GGA + U scheme. Born effective charge tensors, phonon frequencies at the Brillouin zone center and phonon dispersion curves are calculated and analyzed. The Born effective charge tensors exhibit anisotropy, which gives a convincing evidence for the one-dimensional Li migration tunnel along the [010] direction in LiFePO₄, which has been proposed by other theoretical calculations and experimental observation. The calculated phonon frequencies at the Γ point of the Brillouin zone show good agreement with the available experimental observations.     

Linked by loops: Network structure and switch integration in complex dynamical systems

Simple nonlinear dynamical systems with multiple stable stationary states are often taken as models for switchlike biological systems. This paper considers the interaction of multiple such simple multistable systems when they are embedded together into a larger dynamical “supersystem.” Attention is focused on the network structure of the resulting set of coupled differential equations, and the consequences of this structure on the propensity of the embedded switches to act independently versus cooperatively. Specifically, it is argued that both larger average and larger variance of the node degree distribution lead to increased switch independence. Given the frequency of empirical observations of high variance degree distributions (e.g., power-law) in biological networks, it is suggested that the results presented here may aid in identifying switch-integrating subnetworks as comparatively homogenous, low-degree, substructures. Potential applications to ecological problems such as the relationship of stability and complexity are also briefly discussed.     

Distinct conformational properties determined by implicit and explicit representation of protein-solvent interactions. An analytical and computer simulation study

In the protein folding problem, solvent-mediated forces are commonly represented by intra-chain pairwise contact energy. Although this approximation has proven to be useful in several circumstances, it is limited in some other aspects of the problem. Here we show that it is possible to achieve two models to represent the chain-solvent system, one of them with implicit and other with explicit solvent, such that both reproduce the same thermodynamic results. Firstly, lattice models treated by analytical methods, were used to show that the implicit and explicitly representation of solvent effects can be energetically equivalent only if local solvent properties are time and spatially invariant. Following, applying the same reasoning used for the lattice models, two inter-consistent Monte Carlo off-lattice models for implicit and explicit solvent are constructed, being that now in the latter the solvent properties are allowed to fluctuate. Then, it is shown that the chain configurational evolution as well as the globule equilibrium conformation are significantly distinct for implicit and explicit solvent systems. Actually, strongly contrasting with the implicit solvent version, the explicit solvent model predicts: (i) a malleable globule, in agreement with the estimated large protein-volume fluctuations; (ii) thermal conformational stability, resembling the conformational heat resistance of globular proteins, in which radii of gyration are practically insensitive to thermal effects over a relatively wide range of temperatures; and (iii) smaller radii of gyration at higher temperatures, indicating that the chain conformational entropy in the unfolded state is significantly smaller than that estimated from random coil configurations. Finally, we comment on the meaning of these results with respect to the understanding of the folding process.