Predictions of pulsed field gradient NMR echo-decays for molecules diffusing in various restrictive geometries. Simulations of diffusion propagators based on a finite element method

Pulsed field gradient NMR diffusometry is a promising tool for investigating structures of porous material through determinations of dynamic displacements of molecules in porous systems. A problem with this approach is the lack of closed analytical expressions for echo-decays in anything but idealized pore geometries. We present here an approach based on calculating the appropriate diffusion propagator by means of finite element calculations. The suggested method is quite general, and can be applied to arbitrary porous systems. The protocol for the calculations is outlined and we show results from some different cases: diffusion in confined geometries and in systems that are spatially inhomogeneous with respect to concentration.     

Crystalline silicon films sputtered on molybdenum: A study of the silicon–molybdenum interface

Polycrystalline silicon films were grown on molybdenum (Mo)-coated substrates at high deposition rate using the pulsed magnetron sputtering technique. Our study investigates the silicon–molybdenum interface of these films to elucidate stimulating mechanisms for an ordered crystalline silicon thin film growth. Both Auger electron spectroscopy and Rutherford backscattering reveal that at a substrate temperature as low as T_S=450 °C during the deposition process intermixing of Si and Mo at the Si–Mo interface takes place leading to a compositional ratio Mo:Si of about 1:2. By Raman spectroscopy hexagonal β-MoSi₂ could be identified as the dominant phase in this intermixed region. The dependence of the resulting thickness of the reacted interface layer on the deposition conditions is not fully understood yet.     

Effect of heat-pretreatment of the graphite rod on the quality of SWCNTs by arc discharge

Single-walled carbon nanotubes (SWCNTs) have been synthesized in high yield by the dc arc discharge technique under heat-pretreatment of the graphite rod conditions. Before executing arc discharge, the graphite rods containing the catalysts were heat treated at 600, 700, 800 and 900 °C for 1–3 h, respectively. Effects of heat-pretreatment of the graphite rod on the quality of SWCNTs by arc discharge were investigated. The heat-treatment temperature and time were found to be crucial for a high yield of high-purity SWCNTs. Optimum parameter was found to be at the heat-treatment temperature of 800 °C for 2 h. The SWCNTs synthesized under the optimum condition have better field-emission characteristics. The turn-on field needed to produce a current density of 10 μA/cm² is found to be 1.9 V/μm and the threshold field where current density reaches 10 mA/cm² is 3.9 V/μm.     

Effects of phase explosion in pulsed laser deposition of nickel thin film and sub-micron droplets

Nickel (Ni) thin films were deposited on glass substrates in high vacuum and at room temperature with third-harmonic or 355-nm output from a nanosecond Nd:YAG laser. At low laser fluence of 1 J/cm², the deposition rate was about 0.0016 nm/shot which increased linearly until 4 J/cm². Above 4 J/cm², the onset of phase explosion in the ablation abruptly increased the optical emission intensity from laser-produced Ni plume as well as thin-film deposition rate by about 6×. The phase explosion also shifted the size distribution and number density of Ni droplets on its thin-film surface. On the other hand, the surface structures of the ablated Ni targets were compared between the scan-mode and the fixed-mode ablations, which may suggest that droplets observed on the thin-film surface were caused by direct laser-induced splashing of molten Ni rather than vapour-to-cluster condensation during the plume propagation.     

Spin-spin coupling edition in chiral liquid crystal NMR solvent

The application of the G-SERFph pulse sequence is presented on enantiomeric mixtures dissolved in a chiral liquid crystal. It aims at editing, within one single 2D spectrum, every proton coupling which is experienced by a given proton site in the molecule, and leads to real phased T-edited spectroscopy (T=J+2D). This NMR experiment is based on the combination of homonuclear semi-selective refocusing techniques with a spatial frequency encoding of the sample. This approach, which consists in handling selectively each coupling in separate cross sections of the sample, is applied to the visualization of enantiomers dissolved in a chiral liquid crystalline phase. Advantages and limits of this methodology are widely discussed.     

Synthesis of nanoparticles and suspensions by pulsed laser ablation of microparticles in liquid

Recent studies demonstrated that the process to produce metal and oxide nanoparticles by laser ablation of consolidated microparticles is a convenient and energy-efficient way to prepare nanoparticles. In this work, the novel process is applied to nanoparticle synthesis in the liquid environment and the results are compared with those by the gas-phase process. Metal and oxide nanoparticles are synthesized by pulsed laser ablation of the compacted metal microparticles using a Q-switched Nd:YAG laser in water. It is shown that the process is effective for preparing nanoparticle suspensions having relatively uniform size distributions. While the laser fluence and the degree of compaction strongly influence the size of the produced nanoparticle in air, the sedimentation time is shown to be the most critical factor to determine the mean size of the suspended particles.     

Output characteristics of a cataphoresis He–Sr recombination laser

A cataphoresis discharge tube of 7 mm inner diameter and 38 cm active length was designed and made for the He–Sr⁺ laser. The cataphoretic input of uniform distribution of strontium vapor concentrations along the active region was realized by the cataphoresis effect and the slow flowing (0.5 nl/h) of helium buffer gas. The strontium ionic recombination laser at 430.5 nm and the R–M transition laser at 1.03 μm were obtained with the modified Blumlein circuit by high-frequency longitudinal pulsed discharge. The laser components are concentrated on the 430.5 nm wavelength. Dependences of working parameters such as the pulse frequency, the supply voltage, and the helium pressure on laser output characteristics were measured and discussed. The maximum laser output power of 819 mW and specific power of 56 mW/cm³ were obtained, respectively.     

Hydrogen doping of MgO thin films prepared by pulsed laser deposition

Hydrogen doped MgO films were grown by pulsed laser deposition method. Gaseous hydrogen stored in cavities of milky MgO single crystal targets provided doping in film deposition process. Clear MgO targets without hydrogen were used in the preparation of reference films. The influence of hydrogen doping on firing voltage (FV) of gas discharge and its AC frequency dependence was investigated. According to thermoluminescence experiments, the films grown from milky targets contained two kinds of electron traps with the activation energies of 0.051 and 0.31 eV, while latter traps were absent in reference samples. The 0.31 eV trap was assigned to the hydride ion H⁻ occupying an oxygen vacancy site in MgO crystal structure. Using standard gas mixture (Ne-10% Xe), FVs of hydrogen doped sample showed considerable frequency dependence and were up to 55 V lower in comparison to the reference sample. The FVs of reference sample were shifted 14-28 V to higher values when N₂ gas was added to the mixture. The N₂ addition lowered the FVs of hydrogen doped sample up to 38 V and almost eliminated the FV frequency dependence.     

Multilayer growth of BaTiO3 thin films via pulsed laser deposition: An energy-dependent kinetic Monte Carlo simulation

An energy-dependent kinetic Monte Carlo approach was proposed to simulate the multilayer growth of BaTiO₃ thin films via pulsed laser deposition, in which the four steps, such as the deposition of atoms, the diffusion of adatoms, the bonding of adatoms, and the surface migration of adatoms, were considered. Distinguishing with the traditional solid-on-solid (SOS) model, the adatom bonding and the overhanging of atoms, according to the perovskite structure, were specially adopted to describe the ferroelectric thin film growth. The activation energy was considered from the interactions between the ions, which were calculated by Born-Mayer-Huggins (BMH) potential. From the simulation the relative curves of the each layer coverage and roughness vs total coverage were obtained by varying the parameter values of the incident kinetic energy, laser repetition rate and mean deposition rate. The relationship between growth modes and the different parameters was also acquired.     

Modification of hydrophobic acrylic intraocular lens with poly(ethylene glycol) by atmospheric pressure glow discharge: A facile approach

To improve the anterior surface biocompatibility of hydrophobic acrylic intraocular lens (IOL) in a convenient and continuous way, poly(ethylene glycol)s (PEGs) were immobilized by atmospheric pressure glow discharge (APGD) treatment using argon as the discharge gas. The hydrophilicity and chemical changes on the IOL surface were characterized by static water contact angle and X-ray photoelectron spectroscopy to confirm the covalent binding of PEG. The morphology of the IOL surface was observed under field emission scanning electron microscopy and atomic force microscopy. The surface biocompatibility was evaluated by adhesion experiments with platelets, macrophages, and lens epithelial cells (LECs) in vitro. The results revealed that the anterior surface of the PEG-grafted IOL displayed significantly and permanently improved hydrophilicity. Cell repellency was observed, especially in the PEG-modified IOL group, which resisted the attachment of platelets, macrophages and LECs. Moreover, the spread and growth of cells were suppressed, which may be attributed to the steric stabilization force and chain mobility effect of the modified PEG. All of these results indicated that hydrophobic acrylic IOLs can be hydrophilic modified by PEG through APGD treatment in a convenient and continuous manner which will provide advantages for further industrial applications.