Chemical size effect on the magnetic and electrical properties in the (Tb(1-)(x)Eu(x))MnO(3) (0 < or = x < or = 1.0) system

The effect of isovalent chemical substitution of Eu3+ into the Tb3+ sites on the magnetic and electrical properties of (Tb1-xEux)MnO3 (0 相似文献   

Effect of Growth Temperature on the Characteristics of CsPbI3-Quantum Dots Doped Perovskite Film

In this study, adding CsPbI₃ quantum dots to organic perovskite methylamine lead triiodide (CH₃NH₃PbI₃) to form a doped perovskite film filmed by different temperatures was found to effectively reduce the formation of unsaturated metal Pb. Doping a small amount of CsPbI₃ quantum dots could enhance thermal stability and improve surface defects. The electron mobility of the doped film was 2.5 times higher than the pristine film. This was a major breakthrough for inorganic quantum dot doped organic perovskite thin films.     

Numerical study of three-dimensional detonation structure transformations in a narrow square tube: from rectangular and diagonal modes into spinning modes

Three-dimensional (3-D) detonation structure transformations from rectangular and diagonal modes into spinning modes in a narrow square tube are investigated by high-resolution simulation. Numerical simulations are performed with a Riemann solver of the HLLC-type, new cell-based structured adaptive mesh refinement data structure, high-order, parallel adaptive mesh refinement reactive flow code. A simplified one-step kinetic reaction model is used to reveal the 3-D detonation structure. The four different types of initial disturbances applied in the ZND profiles lead to the structures of rectangular in phase, rectangular out of phase, rectangular partial out of phase and diagonal, respectively, during the initial stages of detonation propagation. Eventually, all these detonation structures evolve into the self-sustained spinning detonations. The asymmetric disturbance leads to a stable spinning detonation much faster than the rest. The important features in the formation of spinning detonation are revealed using a 3-D visualization, and a remarkable qualitative agreement with experimental and numerical results is obtained with respect to the transverse wave dynamics and detonation front structures. The transverse wave collisions produce the unburnt gas pockets and the energy to sustain the detonation front propagation and distortion. The periodic pressure oscillation of front plays a complex role as it shifts the reaction zone structure with an accompanying change in the driving energy of transition and the detonation parameters which result in the more distorted front and the unstable detonation. Eventually, the unstable distorted detonation evolves into a spinning detonation.     

Nonlinear fluorescence response driven by ATP-induced self-assembly of guanidinium-tethered tetraphenylethene

Nonlinear fluorescence response, which is particularly important to attain the high signal-to-background ratio, was realized by the aggregation-induced fluorescence increase of guanidinium-tethered tetraphenylethene with ATP.     

Peroxidase-mimic bismuth-gold nanoparticles for determining the activity of thrombin and drug screening

Fibrinogen-modified bismuth-gold nanoparticles (Fib-Bi-Au NPs) are prepared and used as enzyme mimics for the H(2)O(2)-mediated reaction with Amplex Red (AR), which is further employed for determining thrombin activity and drug screening.     

Development of an Analytical <Emphasis Type="Italic">β</Emphasis>-Function PDF Integration Algorithm for Simulation of Non-premixed Turbulent Combustion

Among many presumed-shape pdf approaches for modeling non-premixed turbulent combustion, the presumed β-function pdf is widely used in the literature. However, numerical integration of the β-function pdf may encounter singularity difficulties at mixture fraction values of Z = 0 or 1. To date, this issue has been addressed by few publications. The present study proposes the Piecewise Integration Method (PIM), an efficient, robust and accurate algorithm to overcome these numerical difficulties with the added benefit of improving computational efficiency. Comparison of this method to the existing numerical integration methods shows that the PIM exhibits better accuracy and greatly increases computational efficiency. The PIM treatment of the β-function pdf integration is first applied to the Burke–Schumann solution in conjunction with the k − ε turbulence model to simulate a CH₄/H₂ bluff-body turbulent flame. The proposed new method is then applied to the same flow using a more complex combustion model, the laminar flamelet model. Numerical predictions obtained by using the proposed β-function pdf integration method are compared to experimental values of the velocity field, temperature and species mass fractions to illustrate the efficiency and accuracy of the present method.     

Chemical Shift and Its Uses as an Electronic Parameter in Structure-Activity Correlations

Apparent correlations are found between the N-H chemical shifts of congeneric series of compounds and the dipole moments of the molecules, such as lactams and thiolactams, cyclic ureas and thioureas. When there is a high degree of correlation, either the N-H chemical shift or the dipole moment of the molecule can be used as an electronic parameter in correlating the biological activity with the chemical structure. In a series of substituted salicylaldehydes the Hammett σ constant gives better correlation with the biological activity than the O-H chemical shift. This is probably due to the anisotropic effect of the substituent besides the electronic effect. Other factors affecting the N-H chemical shift, e.g. intramolecular hydrogen-bonding of nitrosoureas and the deshielding effect of a benzene ring, in o-phenyleneureas are also presented. In spite of the limitations, the chemical shifts of many compounds can be obtained very easily, therefore, their uses in structure-activity correlations deserve further investigation.     

Two‐dimensional anisotropic Cartesian mesh adaptation for the compressible Euler equations

Simulating transient compressible flows involving shock waves presents challenges to the CFD practitioner in terms of the mesh quality required to resolve discontinuities and prevent smearing. This paper discusses a novel two‐dimensional Cartesian anisotropic mesh adaptation technique implemented for transient compressible flow. This technique, originally developed for laminar incompressible flow, is efficient because it refines and coarsens cells using criteria that consider the solution in each of the cardinal directions separately. In this paper, the method will be applied to compressible flow. The procedure shows promise in its ability to deliver good quality solutions while achieving computational savings. Transient shock wave diffraction over a backward step and shock reflection over a forward step are considered as test cases because they demonstrate that the quality of the solution can be maintained as the mesh is refined and coarsened in time. The data structure is explained in relation to the computational mesh, and the object‐oriented design and implementation of the code is presented. Refinement and coarsening algorithms are outlined. Computational savings over uniform and isotropic mesh approaches are shown to be significant. Copyright © 2004 John Wiley & Sons, Ltd.     

Risk aversion and optimal forest replanting: A stochastic efficiency study

A new stochastic efficiency analysis approach, called stochastic efficiency with respect to a function (SERF), is applied to analyse optimal tree replanting on an area of recently harvested forest land. SERF partitions a set of risky alternative tree replanting strategies in terms of certainty equivalents (CEs) for a specified range of attitudes to risk. Both the entailed risk and the forest owner’s risk aversion are taken into account. The forest owner’s degree of risk aversion affects both the optimal tree replacement strategy and the reinvestment decision. The degree of risk aversion also needs to be taken into account when designing policy measures to affect forest investment.