The comparable structural,elastic anisotropic and thermophysical properties of advanced U–Si fuel to baseline UO2: a DTF method

The European Physical Journal B - Molecular dynamics and Monte Carlo methods are common measurements to study the diffusion coefficients of the fluid particles under restricted conditions. Here,...     

利用空间位阻和氢溢流协同作用促进5-羟甲基糠醛选择性加氢制备5-甲基糠醛

化学工业生产中，用氢气为还原剂，通过选择性加氢可以制备多种重要化学品。5-羟甲基糠醛是重要的生物质基平台化合物，而5-甲基糠醛是用途广泛的化学品。由5-羟甲基糠醛加氢得到5-甲基糠醛是一条非常理想的路径，但是选择性活化C-OH非常困难。本文设计并制备了Pt@PVP/Nb₂O₅(PVP: 聚乙烯吡咯烷酮)催化剂，该催化体系巧妙地结合了位阻效应、氢溢流和催化剂界面的电子效应，系统研究了该催化剂对5-羟甲基糠醛选择性加氢制备5-甲基糠醛催化性能，在最优条件下，5-甲基糠醛的选择性可达92%。利用密度泛函理论计算研究了5-羟甲基糠醛选择性加氢制备5-甲基糠醛反应路径。     

A perimeter-based angle measure in Minkowski planes

Measuring angles in the Euclidean plane is a well-known topic, but for general normed planes there exists a variety of different concepts. These can be of a special kind, e.g. also preserving special orthogonality types. But these concepts are no angle measures in the sense of measure theory since they are not additive. This motivates us to define a new angle measure for normed planes that is in fact a measure in the sense of measure theory. Furthermore, we look at related types of rotation and reflection.     

Isolated resonances and nonlinear damping

We analyze isolated resonance curves (IRCs) in single-degree-of-freedom systems possessing nonlinear damping. Through the combination of singularity theory and the averaging method, the onset and merging of IRCs, which coincide to isola and simple bifurcation singularities, respectively, can be analytically predicted. Numerical simulations confirm the accuracy of the analytical developments. Another important finding of this paper is that we unveil a geometrical connection between the topology of the damping force and IRCs. Specifically, we demonstrate that extremas and zeros of the damping force correspond to the appearance and merging of IRCs. Considering a damping force possessing several minima and maxima confirms the general validity of the analytical result. It also evidences a very complex scenario for which different IRCs are created, co-exist and then merge together to form a super IRC which eventually merges with the main resonance peak.     

Parametrix for the localization of the Bergman metric on strictly pseudoconvex domains

We give the parameter version of a localization theorem for the Bergman metric near the boundary points of strictly pseudoconvex domains. The approximation theorem for square integrable holomorphic functions on such domains in the spirit of Graham-Kerzman is proved in the hereby paper, as well.     

An enriched damage-frictional cohesive-zone model incorporating stress multi-axiality

The paper presents an interphase cohesive zone model (CZM) incorporating stress multi-axiality devised to capture, by simplified micro-modeling, the influence of the in-plane strain and stress state in the mechanical response of the CZM. Moreover, the model is able to account for the Poisson-related effect in the interphase, which can play an important role in the modeling of heterogeneous masonry elements. From the constitutive point of view, the proposed formulation couples damage and friction by addressing a smooth transition from a quasi-brittle response to a residual frictional behavior described by a Coulomb law with unilateral contact. As in-plane stresses are accounted for, damage activation and evolution are governed by a Drucker–Prager law with linear softening. A predictor-corrector procedure based on a backward Euler scheme is detailed for integrating the nonlinear evolutive problem together with the related tangent operator which consistently linearizes the algorithmic strategy. This framework is embedded into a kinematically-enriched finite element interphase formulation incorporating stress multi-axiality. The modeling features of the resulting numerical tool are tested both at the local level, for the typical interphase point, and in meso-structural tests consisting of brick-mortar triplets, investigating the capability of the proposed model and numerical procedure to simulate the brick-mortar decohesion mechanism during confined slip tests.     

Static Charge Susceptibility in the <Emphasis Type="Italic">t-J-V</Emphasis> Model

We describe the static charge susceptibility and correlation function of the charge density in the twodimensional t-J-V model based on the method of equations of motion for the relaxation functions of the Hubbard operators. We obtain the dependence of the susceptibility and correlation function on the hole concentration and temperature. Charge density waves can develop if the intersite Coulomb interaction is sufficiently strong.