Syntheses of methylpyridine and methylpyridine N-oxide decorated benzoxazine and naphthoxazine platforms

Simple, aqueous-based syntheses of methylpyridine and methylpyridine N-oxide decorated 3,4-dihydro-2H-naphthoxazine and 2,3-dihydro-1H-naphthoxazine monomers, as well as thermally promoted syntheses of 3,4-dihydro-2H-benzoxazine monomers and bisoxazine methylpyridine derivatives of substituted 1,5-, 2,6-, and 2,7-dihydroxynaphthalenes are described. The crystal structures of two derivatives are presented.     

Graphitic‐Carbon Layers on Oxides: Toward Stable Heterogeneous Catalysts for Biomass Conversion Reactions

Conversion of biomass‐derived molecules involves catalytic reactions under harsh conditions in the liquid phase (e.g., temperatures of 250 °C and possibly under either acidic or basic conditions). Conventional oxide‐supported catalysts undergo pore structure collapse and surface area reduction leading to deactivation under these conditions. Here we demonstrate an approach to deposit graphitic carbon to protect the oxide surface. The heterogeneous catalysts supported on the graphitic carbon/oxide composite exhibit excellent stability (even under acidic conditions) for biomass conversion reactions.     

Stiffness and hysteretic energy loss of a reinforced-concrete shear wall

A static, cyclic test of one of the largest reinforced concrete shear walls to be investigated in a laboratory is reported. The test was performed to study the dynamic characteristics (stiffness and hysteretic energy loss) of the shear wall. Very sensitive displacement gages are needed to measure the small deformations. The large forces required to load the structure make the test results susceptible to deformation of the support fixture. With these concerns in mind, instrumentation and data-reduction methods were developed that could separate model deformations from displacements caused by support motion. Also, model displacements were separated into shear and bending components. Results showed that prior to cracking, overall stiffness as well as the individual components of stiffness are accurately predicted by mechanics of materials beam theory that accounts for shear deformation. Equivalent viscous damping ratios that were determined from the hysteretic energy before and after cracking were similar.     

The influence of peak-locking errors on turbulence statistics computed from PIV ensembles

The influence of peak-locking errors on turbulence statistics computed from ensembles of PIV data is considered. PIV measurements are made in the streamwise–wall-normal plane of turbulent channel flow. The PIV images are interrogated in three distinct ways, generating ensembles of velocity fields with absolute, moderate, and minimal peak locking. Turbulence statistics computed for all three ensembles of data indicate a general sensitivity to peak locking in the single-point statistics, except for the mean velocity profile. Peak-locking errors propagate into the fluctuations of velocity, rendering single-point statistics inaccurate when severe peak locking is present. Multi-point correlations of both streamwise and wall-normal velocity are also found to be influenced by severe levels of peak locking. The displacement range of the measurement, defined by the PIV time delay, appears to affect the influence of peak-locking errors on turbulence statistics. Smaller displacement ranges, particularly those that produce displacement fluctuations that are less than one pixel in magnitude, yield inaccurate turbulence statistics in the presence of peak locking.     

The elastic fields of misfit cylindrical particles: a dislocation-based numerical approach

Analytical solutions for the displacement and stress fields due to a misfit particle in a host matrix can be difficult to obtain, especially for complex particle geometries. In this work, we present a numerical method for finding such fields in the case of infinitely-long particles. The method is based on discretizing the continuous misfit region between the particle and matrix into local misfit regions consisting of interstitial dislocation loops. The results presented here indicate very good agreement with analytical solutions and better convergence with increasing loop density.     

双甘氨肽与高定向热解石墨的散射动力学研究

本文通过反应力场来研究中性双甘氨肽与高取向热解石墨的碰撞动力学过程，分别模拟初始入射角度为0o、20o、45o和70o以及入射能量为481.5 kJ/mol和表面温度为677 K的情况，并且确定和分析了散射产物的角度分布、平动能分布、内能分布和表面滞留时间分布. 双甘氨肽是一种多原子分子，具有较多的低频振动模式和较强的表面吸附相互作用，这些使得碰撞过程的表面滞留时间较长和容易造成能量损失，尤其是表面法线方向. 由于碰撞分子的动量沿表面法线方向上明显地发生损失，而沿表面平行方向上的动量则会大部分保留，因此，其散射角通常会呈现出超镜面反射分布，并且末态的平动能要远小于所谓硬立方模型的预测值. 本文加深了多肽分子与高取向热解石墨碰撞及其能量转移过程的认识和理解，有助于设计在稀薄大气中收集这类大分子的中性气体浓缩器.     

Micro-scale behavior of granular materials during cyclic loading

This study presents the micro-scale behavior of granular materials under biaxial cyclic loading for different confining pressures using the two-dimensional (2D) discrete element method (DEM). Initially, 8450 ovals were generated in a rectangular frame without any overlap. Four dense samples having confining pressures of 15, 25, 50, and 100 kPa were prepared from the initially generated sparse sample. Numerical simulations were performed under biaxial cyclic loading using these isotropically compressed dense samples. The numerical results depict stress–strain–dilatancy behavior that was similar to that observed in experimental studies. The relationship between the stress ratio and dilatancy rate is almost independent of confining pressures during loading but significantly dependent on the confining pressures during unloading. The evolution of the coordination number, effective coordination number and slip coordination number depends on both the confining pressures and cyclic loading. The cyclic loading significantly affects the microtopology of the granular assembly. The contact fabric and the fabric-related anisotropy are reported, as well. A strong correlation between the stress ratio and the fabric related to contact normals is observed during cyclic loading, irrespective of confining pressures.     

Global solutions to nonisentropic hydrodynamic models for two-carrier plasmas

This paper is concerned with nonisentropic hydrodynamic models for two-carrier plasmas, which take the form of Euler equations for conservation laws of mass density, current density and energy density for two-carrier plasmas, coupled to Poisson’s equation for self-consistent electronic field. Due to the nonlinear coupling and cancellation between electrons and ions, the expected dissipation rates of densities for two carriers are no longer available in comparison with the one-carrier case, which leads to the lack of exponential stability near constant equilibrium in the whole space. In order to capture the weaker dissipation and obtain global solutions in spatially critical Besov spaces, calculus techniques which have been recently developed in Chemin–Lerner spaces, will be further applied.     

Vibrational relaxation of a molecule in strong interaction with a reservoir: Nonmonotonic temperature dependence

This theoretical study of the vibrational relaxation of a molecule in interaction with a reservoir uncovers a noteworthy temperature (T) dependence of the time evolution of the relaxation. Its rate increases with T in one interval but decreases in another. The feature arises not for a weak molecule-reservoir interaction but only for coupling strong enough to require polaronic dressing transformations. Our treatment, based on a recent generalization of the well-known Montroll–Shuler equation for relaxation and an explicit calculation of bath correlations from the microscopically specified Hamiltonian, could provide an alternative explanation of an “inverted” T-dependence of relaxation in an experimental report by Fayer and collaborators on W(CO)₆ dissolved in CHCl₃.