Micro-Macro Scale Relationship in Creep Deformation of Ultra High Molecular Weight Polyethylene

Macroscopic and microscale creep deformations of UHMWPE were investigated by using in situ SAXS.A methodology for the measurement of the local creep deformation of inter-lamellar amorphous phase has been proposed.The local strain of inter-lamellar amorphous phase (εa) and macroscopic strain (εmacro) were evaluated and they were compared to study the relationship between macroscopic and microscale creep deformation of UHMWPE.Both of them exhibit two deformation regions against creep time.The entanglements show a strong impact on both the macroscopic and local inter-lamellar amorphous phase creep behavior and they can be well correlated to the molecular weight between two entanglements estimated from strain-hardening modulus.Compared to the macroscopic creep deformation,local inter-lamellar amorphous layers have a smaller creep deformation.From the local creep measurement,the apparent modulus of inter-lamellar amorphous phase can also be estimated (200 ＜ Ma ＜ 500 MPa).These values are much higher than the Young's modulus of bulk amorphous PE,which can be well explained by the confinement of the lamellar stacks and the enhancement of the amorphous phase with the relatively high concentration of entanglements.This study provides a useful means and quantitative data for achieving the scale transition between the micro and the macro structural levels for the study of viscos-elastic deformation.     

Analysis of the supramolecular structures of Sb(III) and Sb(V) catecholate complexes from the viewpoint of ligand solid angles

The ligand solid angle approach has been successfully applied to the analysis of the catecholate complexes of Sb(III) and Sb(V). The Sb(III) complexes possess an electron lone pair that influences their molecular structure but does not behave as a classic “ligand” when intermolecular interactions are concerned. The Sb(III) complexes in solid state form numerous intermolecular interactions that effectively increase metal shielding, and herein we analyze the effects of the lone pair of electrons on the complex coordination geometry. In the five-coordinate R₃CatSb(V) complexes (Cat = catecholate ligand, R = Ph, Me, Cl) the metal is shielded by 87(3)% and multiple intermolecular contacts are observed. The central metal in the six-coordinate antimony(V) complexes R₃CatSb(V) · L is shielded to the extent of 89(2)% and no strong attractive intermolecular interactions are detected in solid state. Thus, the metal shielding in excess of 85% is required to prevent complex dimerization or additional ligation of the central atom by a nucleophile.     

A simple graphical approach to predict local residue conformation using NMR chemical shifts and density functional theory

The dependency of amino acid chemical shifts on φ and ψ torsion angle is, independently, studied using a five‐residue fragment of ubiquitin and ONIOM(DFT:HF) approach. The variation of absolute deviation of ¹³C^α chemical shifts relative to φ dihedral angle is specifically dependent on secondary structure of protein not on amino acid type and fragment sequence. This dependency is observed neither on any of ¹³C^β, and ¹H^α chemical shifts nor on the variation of absolute deviation of ¹³C^α chemical shifts relative to ψ dihedral angle. The ¹³C^α absolute deviation chemical shifts (ADCC) plots are found as a suitable and simple tool to predict secondary structure of protein with no requirement of highly accurate calculations, priori knowledge of protein structure and structural refinement. Comparison of Full‐DFT and ONIOM(DFT:HF) approaches illustrates that the trend of ¹³C^α ADCC plots are independent of computational method but not of basis set valence shell type. © 2016 Wiley Periodicals, Inc.     

Ultra fast magic angle spinning solid – state NMR spectroscopy of intact bone

Ultra fast magic angle spinning (MAS) has been a potent method to significantly average out homogeneous/inhomogeneous line broadening in solid‐state nuclear magnetic resonance (ssNMR) spectroscopy. It has given a new direction to ssNMR spectroscopy with its different applications. We present here the first and foremost application of ultra fast MAS (~60 kHz) for ssNMR spectroscopy of intact bone. This methodology helps to comprehend and elucidate the organic content in the intact bone matrix with resolution and sensitivity enhancement. At this MAS speed, amino protons from organic part of intact bone start to appear in ¹H NMR spectra. The experimental protocol of ultra‐high speed MAS for intact bone has been entailed with an additional insight achieved at 60 kHz. Copyright © 2015 John Wiley & Sons, Ltd.     

Contact Angle Patterns on Low-Energy Surfaces

It is well-known that on a given low-energy solid surface, the contact angles of different organic liquids follow a regular pattern. The experimental evidence for this, and semi-empirical equations describing the pattern, are reviewed. Theoretical and computational efforts to explain the pattern are discussed, and a simplified analytical approach is presented. The main pattern of contact angles is seen to arise from two factors: a common combining rule for liquid-solid molecular interactions, and the reduced density of liquid molecules adjacent to a lower-energy solid surface. Irregular departures from the main pattern are due to chemical effects originating in molecular structure.     

The influence of topography on dynamic wetting

The paramount importance of wetting applications and the significant economic value of controlling wetting-based industrial processes has stimulated a deep interest in wetting science. In many industrial applications the motion of a complex liquid front over nano-textured surfaces controls the fate of the processes. However our knowledge of the impact of nano-heterogeneities on static and dynamic wetting is very limited. In this article, the fundamentals of wetting are briefly reviewed, with a particular focus on hysteresis and roughness issues. Present knowledge and models of dynamic wetting on smooth and rough surfaces are then examined, with particular attention devoted to the case of nano-topographical heterogeneities and solid–fluid–fluid systems.     

带式输送机弯曲变形阻力理论研究

为了减小带式输送机的弯曲阻力,基于黏弹性材料在动载荷下的能耗理 论,对输送带运行时的弯曲变形能耗机理进行了分析,推导出输送带弯曲变形阻力系数的近似理 论公式,并通过试验验证了公式的正确性. 利用公式对各因素对弯曲阻力系数 的影响规律进行了探讨,结果表明可以通过选配合适的输送带橡胶材料获得合适的 输送带黏弹性参数,并结合调整输送带、输送机的结构参数达到降低输送机弯曲阻力的目的.     

Effects of inclination angle on natural convection in enclosures filled with Cu–water nanofluid

Effects of inclination angle on natural convection heat transfer and fluid flow in a two-dimensional enclosure filled with Cu-nanofluid has been analyzed numerically. The performance of nanofluids is tested inside an enclosure by taking into account the solid particle dispersion. The angle of inclination is used as a control parameter for flow and heat transfer. It was varied from  = 0° to  = 120°. The governing equations are solved with finite-volume technique for the range of Rayleigh numbers as 10³  Ra  10⁵. It is found that the effect of nanoparticles concentration on Nusselt number is more pronounced at low volume fraction than at high volume fraction. Inclination angle can be a control parameter for nanofluid filled enclosure. Percentage of heat transfer enhancement using nanoparticles decreases for higher Rayleigh numbers.     

Unsteady aerodynamics modeling for flight dynamics application

In view of engineering application, it is practicable to decompose the aerodynamics into three components: the static aerodynamics, the aerodynamic increment due to steady rotations, and the aerodynamic increment due to unsteady separated and vortical flow. The first and the second components can be presented in conventional forms while the third is described using a one-order differential equation and a radial-basis-function (RBF) network. For an aircraft configuration, the mathematical models of 6component aerodynamic coefficients are set up from the wind tunnel test data of pitch, yaw, roll, and coupled yawroll large-amplitude oscillations. The flight dynamics of an aircraft is studied by the bifurcation analysis technique in the case of quasi-steady aerodynamics and unsteady aerodynamics, respectively. The results show that: (1) unsteady aerodynamics has no effect upon the existence of trim points, but affects their stability; (2) unsteady aerodynamics has great effects upon the existence, stability, and amplitudes of periodic solutions; and (3) unsteady aerodynamics changes the stable regions of trim points obviously. Furthermore, the dynamic responses of the aircraft to elevator deflections are inspected It is shown that the unsteady aerodynamics is beneficial to dynamic stability for the present aircraft. Finally, the effects of unsteady aerodynamics on the post-stall maneuverability are analyzed by numerical simulation.