Oxygen vacancies on TiO2 (110) from first principles calculations

We have carried out a systematic study of oxygen vacancy formation on the TiO2 (110) surface by means of plane-wave pseudopotential density-functional theory calculations. We have used models with the mean number of vacancies per surface unit cell being theta=0.25 and theta=0.5. The study comprises several kind of vacancies within the outermost layers of the surface. The use of a suitable set of technical parameter is often essential in order to get accurate results. We find that the presence of bridging vacancies is energetically favored in accordance to experimental data, although the formation of sub-bridging vacancies might be possible at moderate temperatures. Surprisingly, the spin state of the vacancy has little influence on the results. Atomic displacements are also analyzed and found to be strongly dependent on the particular arrangement of vacancies.     

Quantum Spectrum of Some Anharmonic Central Potentials: Wave Functions Ansatz

Based on the ansatz to the wave functions, the quasi-exact solutions of the 2D Schrödinger equation with some anharmonic potentials are reviewed and analyzed if admitting restrictions on the parameters of the potential and the angular momentum m. These potentials are taken as the screened Coulomb potential V(r)=a/r+b/(r+), the singular one-fraction power one V(r)=ar ^–1/2+br ^–3/2 and the singular two-fraction one V(r)=ar ^2/3+br ^–2/3+cr ^–4/3. The latter one is found that the hidden symmetry exists if substituting r–ir. It will reverse the signs of E and c of quantum system, leaving the remaining parameters invariant.     

Collision of a Solid with an Incompressible Fluid

We give a predictive theory of the collisions of a viscous incompressible fluid with solids. The theory is based on interior percussions which account for the very large stresses and contact forces resulting from the kinematic incompatibilities responsible for the collision. New equation of motion and constitutive laws result from the theory. Examples dealing with a fluid colliding with its container and with a diver impacting the water of a swimming pool are studied.     

Quantum Monodromy and Bohr–Sommerfeld Rules

This article is based on a talk given in Dijon for the 2000 summer school Topological and Geometrical Methods: Applications to Dynamical Systems. The standard definitions of the monodromy invariant for completely integrable classical systems are reviewed, and the link to the quantum monodromy observed in the joint spectrum of commuting operators is explained. The mathematical treatment relies on a modern and attractive version of the Bohr–Sommerfeld quantisation rules.     

Order parameter description of walk-off effect on pattern selection in degenerate optical parametric oscillators

Degenerate optical parametric oscillators can exhibit both uniformly translating fronts and nonuniformly translating envelope fronts under the walk-off effect. The nonlinear dynamics near threshold is shown to be described by a real convective Swift-Hohenberg equation, which provides the main characteristics of the walk-off effect on pattern selection. The predictions of the selected wave vector and the absolute instability threshold are in very good quantitative agreement with numerical solutions found from the equations describing the optical parametric oscillator.     

Dependence of pulser driving responses on electrical and motional characteristics of NDE ultrasonic probes

Acoustic performance in ultrasonic transmitters can be improved by means of a suitable electrical driving response and matching/tuning networks. It is important to predict this electrical response, but doing so is not easy because it departs notably from the nominal pattern with the loading probes. In practice, the analysis of HV pulser spikes in NDE applications requires fairly complex models in the transient regime and, in addition, non-linear problems could arise, especially in the case of tuned transmitters. In this paper, the most relevant influences of loading characteristics of NDT ultrasonic probes on the pulser electrical driving responses are evaluated in time and frequency domains. Conventional pulse generators and typical NDE pulsers are considered. Driving responses are analysed across commercial ultrasonic probes and, alternatively, across similar purely electrical loads. Distinct influences on pulser responses from electrical and motional sections of the probes are identified. All these aspects are studied on the basis of experimental and computer results.     

Magnetic and noise properties of as-deposited and annealed soft underlayer

We studied the magnetic and noise properties with various soft underlayer (SUL) types. For an as-deposited SUL, the results of spectrum, oscilloscope waveform and MFM indicated that the SUL types with IrMn pinning layer have more noise level than that of SUL types without IrMn pinning layer. And, after magnetic filed annealing along radial direction of disk, the exchange bias field increased and the noise level of type B (exchange bias type) decreased. These results reveal that incomplete or partial coupling may be generated at the interface between IrMn and ferromagnetic layer in as-deposited SUL. This incomplete coupling may result in complex or multidomain patterns in ferromagnetic layer.     

Decay estimates for nonlinear nonlocal diffusion problems in the whole space

In this paper, we obtain bounds for the decay rate in the L ^r (? ^d )-norm for the solutions of a nonlocal and nonlinear evolution equation, namely, $$u_t \left( {x,t} \right) = \int_{\mathbb{R}^d } {K\left( {x,y} \right)\left| {u\left( {y,t} \right) - u\left( {x,t} \right)} \right|^{p - 2} \left( {u\left( {y,t} \right) - u\left( {x,t} \right)} \right)dy, x \in \mathbb{R}^d , t > 0.}$$ . We consider a kernel of the form K(x, y) = ψ(y?a(x)) + ψ(x?a(y)), where ψ is a bounded, nonnegative function supported in the unit ball and a is a linear function a(x) = Ax. To obtain the decay rates, we derive lower and upper bounds for the first eigenvalue of a nonlocal diffusion operator of the form $$T\left( u \right) = - \int_{\mathbb{R}^d } {K\left( {x,y} \right)\left| {u\left( y \right) - u\left( x \right)} \right|^{p - 2} \left( {u\left( y \right) - u\left( x \right)} \right)dy, 1 \leqslant p < \infty .}$$ . The upper and lower bounds that we obtain are sharp and provide an explicit expression for the first eigenvalue in the whole space ? ^d : $$\lambda _{1,p} \left( {\mathbb{R}^d } \right) = 2\left( {\int_{\mathbb{R}^d } {\psi \left( z \right)dz} } \right)\left| {\frac{1} {{\left| {\det A} \right|^{1/p} }} - 1} \right|^p .$$ Moreover, we deal with the p = ∞ eigenvalue problem, studying the limit of λ _1,p ^1/p as p→∞.     

黑色素对流感病毒诱导细胞凋亡的抑制效应

用荧光染色技术及流式细胞仪分析方法研究了 Ａ１／京防８６１ 和 Ｂ／沪防９３１ 两株流感病毒感染与细胞凋亡的关系,探讨利用嗜麦芽假单胞菌黑色素抑制流感病毒诱导 Ｍ Ｄ Ｃ Ｋ 细胞凋亡的可能性 结果显示：黑色素在 １００ ｍ ｇ· Ｌ－ １ 浓度范围内,对 Ｍ Ｄ Ｃ Ｋ 细胞无细胞毒性; Ａ１／京防 ８６１ 和 Ｂ／沪防 ９３１ 两株流感病毒均可诱导 Ｍ Ｄ Ｃ Ｋ细胞凋亡,但二者存在毒力差异（ｐ＜ ０．０５）病毒感染１２ ｈ 后,荧光染色可观察到典型的凋亡核形态,流式细胞仪则可检测到病毒诱导 Ｍ Ｄ Ｃ Ｋ 细胞产生的凋亡峰,且细胞凋亡率分别为３７．０２％ 和 ２７２９％ ;２０ ｍ ｇ· Ｌ－ １ 的黑色素可有效抑制两株流感病毒诱导细胞凋亡,使细胞凋亡指数从２５％ ～３５％ 降至３％ 以下 结果表明,黑色素可以抑制 Ａ 和 Ｂ型流感病毒诱导细胞凋亡     

A Metal–Organic Framework with Cooperative Phosphines That Permit Post‐Synthetic Installation of Open Metal Sites

PCM‐101 is a phosphine coordination material comprised of tris(p‐carboxylato)triphenylphosphine and secondary pillaring groups coordinated to [M₃(OH)]⁵⁺ nodes (M=Co, Ni). PCM‐101 has a unique topology in which R₃P: sites are arranged directly trans to one another, with a P???P separation distance dictated by the pillars. Post‐synthetic coordination of soft metals to the P: sites proceeds at room temperature to provide X‐ray quality crystals that permit full structural resolution. Addition of AuCl groups forces a large distortion of the parent framework. In contrast, CuBr undergoes insertion directly between the trans‐P sites to form dimers that mimic solution‐phase complexes, but that are geometrically strained due to steric pressure exerted by the MOF scaffold. The metalated materials are active in heterogeneous hydroaddition catalysis under mild conditions, yielding different major products compared to their molecular counterparts.