Controlling the orientation and coverage of silica-MFI zeolite films by surface modification

The silica-MFI (Si-MFI) zeolite films are fabricated on α-Al₂O₃ supported silica-zirconia layers. The roughness and chemistry of the substrate surface are changed by surface modification with hydrogen peroxide and carboxymethyl chitosan (CMCS) solution to investigate their effects on the formation and orientation control of Si-MFI zeolite films. The AFM images reveal that the roughness of the silica-zirconia surface can be increased under the treatment of hydrogen peroxide. The Si-MFI zeolite films grown on the rough substrate surface are also b-oriented. Diffuse-reflectance FT-IR studies demonstrate that the abundance of functional groups such as -OH and -COOH can be successfully seeded onto the α-Al₂O₃ supported silica-zirconia layer through modification with CMCS solution. Continuous b-oriented Si-MFI zeolite films can be fabricated on the CMCS-modified α-Al₂O₃ supported silica-zirconia layer. It is evident that the orientation and microstructure of Si-MFI zeolite films on α-Al₂O₃ supported silica-zirconia layers are dominantly controlled by the chemical nature of the substrate surface, where the functional groups serve as the structure-directing matrix to induce the orientation and growth of the zeolite crystals with their b-axes perpendicular to the substrate surface.     

Polariton-polariton kinematic interaction modulation and kinematic bipolaritons in organic microcavities

We study polariton-polariton kinematic interactions in organic microcavities. Using the Agranovich-Toshich transformation, to transform the Frenkel excitons from Paulions into Bosons, the exciton-exciton kinematic interaction is derived. In the strong coupling regime, the polariton excitonic part results in the polariton-polariton kinematic interaction. The scattering amplitude is calculated and the effective potential is obtained for a scattering between two free polaritons. The effective potential can be modulated by changing the exciton-cavity photon detuning, and we show the crossover of the effective potential from attractive into repulsive one. A pole in the two-particle Green's function is the signature of the formation of polariton bound state, i.e. bipolariton. Due to the smallness of the polariton effective mass, the obtained bound state is very shallow and appears below the minimum of the lower polariton branch, and falls inside the natural bandwidth of the polariton branch.     

Fluctuating semiflexible polymer ribbon constrained to a ring

Twist stiffness and an asymmetric bending stiffness of a polymer or a polymer bundle is captured by the elastic ribbon model. We investigate the effects a ring geometry induces to a thermally fluctuating ribbon, finding bend-bend coupling in addition to twist-bend coupling. Furthermore, due to the geometric constraint the polymer's effective bending stiffness increases. A new parameter for experimental investigations of polymer bundles is proposed: the mean square diameter of a ribbonlike ring, which is determined analytically in the semiflexible limit. Monte Carlo simulations are performed which affirm the model's prediction up to high flexibility.     

Studying the emergence of invasiveness in tumours using game theory

Tumour cells have to acquire a number of capabilities if a neoplasm is to become a cancer. One of these key capabilities is increased motility which is needed for invasion of other tissues and metastasis. This paper presents a qualitative mathematical model based on game theory and computer simulations using cellular automata. With this model we study the circumstances under which mutations that confer increased motility to cells can spread through a tumour made of rapidly proliferating cells. The analysis suggests therapies that could help prevent the progression towards malignancy and invasiveness of benign tumours.     

Atomistic nitriding processes of titanium thin films due to nitrogen-implantation

Nitrogen ions (N₂⁺) with 62 keV were implanted into the as-deposited Ti film composed of mainly (1 1 0)-oriented TiH_x and (0 3 · 5)-oriented hcp-Ti at room temperature, which results in the epitaxial formation of (1 1 0)-oriented and (0 0 1)-oriented TiN_y, respectively. The electron energy loss spectroscopy experiments elucidate that in the early N-implanting stage the release of hydrogen constituting TiH_x gives rise to the shift of the loss peak due to plasmon excitation to lower loss energy side. On the other hand, the energy loss peaks due to plasmon excitation for nitriding of hcp-Ti gradually shifted to higher energy side with increasing dose. Through the N-invasion into the octahedral sites of hcp-Ti with larger space and lower electron density, the hcp-fcc transformation of Ti sublattices is induced by the shift of the (0 0 · 1)-plane in the 〈0 1 ⋅ 0〉 direction of hcp-Ti promoted by the forming of the strong Ti-N bonds including the π-type covalent bonds, and by the weakening of the Ti-Ti bonds. Furthermore, the inheritance of square atomic arrangement and the movement of the N atom to other neighboring O-site in the transformed fcc-Ti sublattice are responsible for the epitaxial growth of TiN_y. The atomistic processes of the epitaxial growth of TiN_y are discussed with the aid of the molecular orbital calculations.     

Transient Non-Thermal Mobility of CO for CO--NO Catalytic Reaction on Square Lattice: Monte Carlo Simulation

We study a model based on precursor mechanism for CO-NO catalytic reaction on square lattice with Monte Carlo simulation. The precursor mechanism clearly demonstrates its impact on the phase diagram. The steady reactive state （SRS） gets established. The width of reactive region increases by increasing the range of precursor mobility. When the precursor mobility is increased to third-nearest neighbourhood, the second-order transition disappears.     

A Simple Route of Morphology Control and Structural and Optical Properties of ZnO Grown by Metal-Organic Chemical Vapour Deposition

Employing the metal-organic chemical vapour deposition （MOCVD） technique, we prepare ZnO samples with different morphologies from the film to nanorods through conveniently changing the bubbled diethylzinc flux （BDF） and the carrier gas flux of oxygen （OCGF）. The scanning electron microscope images indicate that small BDF and OCGF induce two-dimensional growth while the large ones avail quasi-one-dimensional growth. X-ray diffraction （XRD） and Raman scattering analyses show that all of the morphology-dependent ZnO samples are of high crystal quality with a c-axis orientation. From the precise shifts of the 20 locations of ZnQ （002） face in the XRD patterns and the E2 （high） locations in the Raman spectra, we deduce that the compressive stress forms in the ZnO samples and is strengthened with the increasing BDF and OCGF. Photoluminescence spectroscopy results show all the samples have a sharp ultraviolet luminescent band without any defects-related emission. Upon the experiments a possible growth mechanism is proposed.     

Monte Carlo simulation of film growth in a phase separating binary alloy model

Using a kinetic Monte Carlo method, we simulate binary film (A_0.5B_0.5/A) growth on an L×L square lattice with the focus on the domain growth behaviour. We compute the average domain area, A(t), as a measure of domain size. For a sufficiently large system, we find that A(t) grows with a power law in time with A(t)∼t^2/3 after the initial transient time. This implies that the dynamic exponent for domain growth with non-conserved order parameter is z=3, a value which was theoretically predicted for the conserved order parameter case. Further analysis reveals that such a power-law behaviour emerges because the order parameter is approximately conserved after the early stage of growth.     

Low-temperature specific heat spectra considering nonextensive long-range correlated quasiperiodic DNA molecules

We consider the low-temperature specific heat spectra of long-range correlated quasiperiodic DNA molecules using a q-gaussian distribution, and compare them with those considering the Boltzmann-Gibbs distribution. The energy spectra are calculated using the one-dimensional Schrödinger equation in a tight-binding approximation with the on-site energy exhibiting long-range disorder and non-random hopping amplitudes. We focus our attention at the low temperature region, where the specific heat spectra presents a logarithmic-periodic oscillations as a function of the temperature T around a mean value given by a characteristic dimension of the energy spectrum.