Orientation dependent size effects in thermal buckling and post-buckling of nanoplates with cubic anisotropy

In this work, a continuum model is presented for size and orientation dependent thermal buckling and post-buckling of anisotropic nanoplates considering surface and bulk residual stresses. The model with von-Karman nonlinear strains and material cubic anisotropy of single crystals contains two parameters that reflect the orientation effects. Using Ritz method, closed form solutions are given for buckling temperature and post-buckling deflections. Regarding self-instability states of nanoplates and their recovering at higher temperatures, an experiment is discussed based on low pressurized membranes to verify the predictions. For simply supported nanoplates, the size effects are lowest when they are aligned in [100] direction. When the edges get clamped, the orientation dependence is ignorable and the behavior becomes symmetric about [510] axis. The surface residual stress makes drastic increase in buckling temperature of thinner nanoplates for which a minimum thickness is pointed to stay far from material softening at higher temperatures. Deflection of [100]-oriented buckled nanoplates is higher than [110] ones but this reverses at higher temperatures. The results for long nanoplates show that the buckling mode numbers are changed by orientation which is verified by FEM.     

Solvent Influence on Cellulose 1,4‐β‐Glycosidic Bond Cleavage: A Molecular Dynamics and Metadynamics Study

We explore the influence of two solvents, namely water and the ionic liquid 1‐ethyl‐3‐methylimidazolium acetate (EmimAc), on the conformations of two cellulose models (cellobiose and a chain of 40 glucose units) and the solvent impact on glycosidic bond cleavage by acid hydrolysis by using molecular dynamics and metadynamics simulations. We investigate the rotation around the glycosidic bond and ring puckering, as well as the anomeric effect and hydrogen bonds, in order to gauge the effect on the hydrolysis mechanism. We find that EmimAc eases hydrolysis through stronger solvent–cellulose interactions, which break structural and electronic barriers to hydrolysis. Our results indicate that hydrolysis in cellulose chains should start from the ends and not in the centre of the chain, which is less accessible to solvent.     

Linearization of column responses by correlation chromatography. Separation improvement and reduction of undesired adsorption effects

Summary Experiments and simulations prove that correlation chromatography can greatly reduce the disadvantage of a non-linear response of the chromatographic column. A factor that has been accepted as being an important source of error in correlation or multiplex chromatography, has been shown not to be. Separations affected, improve dramatically when correlation chromatography is used, and a substantial amount of correlation noise only arises when there is a large difference in separation between a conventional chromatogram and a correlogram.A model has been developed for simulating these nonlinearities. It is shown that, especially for correlation chromatography, the simulation results match the practical measurements very well.     

Banach空间二阶非线性微分方程的弱Carathéodory解

本文定义了二阶微分方程的弱 Carathéodory解 ,在不涉及紧型条件的情形下 ,直接用迭代法证明了 Banach空间二阶非线性常微分方程两点边值问题存在唯一解 ,并给出逼近解迭代序列的误差估计 ,对周期边值问题得到类似的结果     

Cn中不同域的复合算子

令Ω1与Ω2与C^n中的两个有界齐性域，假设φ：1Ω→Ω2是一个全纯映射。在本中，我们研究相应的复合算子Cφ：β（Ω2）→β（Ω1）的有界性和紧性，特别地，我们讨论取B^n和U^n的情形。     

Field Theory Methods in Classical Dynamics

A Dirac picture perturbation theory is developed for the time evolution operator in classical dynamics in the spirit of the Schwinger–Feynman–Dyson perturbation expansion and detailed rules are derived for computations. Complexification formalisms are given for the time evolution operator suitable for phase space analyses, and then extended to a two-dimensional setting for a study of the geometrical Berry phase as an example. Finally a direct integration of Hamilton's equations is shown to lead naturally to a path integral expression, as a resolution of the identity, as applied to arbitrary functions of generalized coordinates and momenta.     

Hydrophobically directed selective reduction of ketones using amine boranes

Amine boranes bearing hydrophobic substituents were used to reduce aryl ketones in competition with a methyl ketone. Their high stability in protic solvents combined with their ease of preparation made amine boranes useful compounds in the study of hydrophobically directed selective reductions. Several characteristics of the reducing agent were found to be important in determining the reaction selectivity, including available hydrocarbon surface area, degree of fluorination, and proximity of the hydrophobic group to the active hydrides.