Role of nonlocal exchange in molecular crystals: The case of two proton‐ordered phases of ice

We present a periodic density functional theory investigation of twoproton‐ordered phases of ice. Their equilibrium lattice parameters,relative stabilities, formation energies, and densities of states havebeen evaluated. Nine exchange‐correlation functionals, representativeof the generalized gradient approximation (GGA), global hybrids,range‐separated hybrids, meta‐GGA, and hybrid meta‐GGA families havebeen taken into account, considering two oxygen basis sets. Althoughthe hydrogen‐bond network of ice is well reproduced at the B3LYP,M06‐L, or LC‐ wPBE levels, formation energies are only correctlyevaluated with the two former functionals. Band gaps on the other handare only quantitatively reproduced at the B3LYP level. These resultsindicate that this last functional, a de facto reference formolecular calculations, gives in average the most accurate results forthe considered ice properties. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011     

The superhydrophobicity of polymer surfaces: Recent developments

Superhydrophobicity is the extreme water repellence of highly textured surfaces. The field of superhydrophobicity research has reached a stage where huge numbers of candidate treatments have been proposed and jumps have been made in theoretically describing them. There now seems to be a move to more practical concerns and to considering the demands of individual applications instead of more general cases. With these developments, polymeric surfaces with their huge variety of properties have come to the fore and are fast becoming the material of choice for designing, developing, and producing superhydrophobic surfaces. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 49: 1203–1217, 2011     

Numerical methods for a fixed domain formulation of the glacier profile problem with alternative boundary conditions

In this paper we develop a set of numerical techniques for the simulation of the profile evolution of a valley glacier in the framework of isothermal shallow ice approximation models. The different mathematical formulations are given in terms of a highly nonlinear parabolic equation. A first nonlinearity comes from the free boundary problem associated with the unknown basal extension of the glacier region. This feature is treated using a fixed domain complementarity formulation which is solved numerically by a duality method. The nonlinear diffusive term is explicitly treated in the time marching scheme. A convection dominated problem arises, so a characteristic scheme is proposed for the time discretization, while piecewise linear finite elements are used for the spatial discretization. The presence of infinite slopes in polar regimes motivates an alternative formulation based on a prescribed flux boundary condition at the head of the glacier instead a homogeneous Dirichlet one. Finally, several numerical examples illustrate the performance of the proposed methods.     

基于亮度均衡化的图像阈值分割技术在黄河冰凌监测中的应用

一种基于亮度均衡化的图像阈值分割算法被提出.该算法将冰凌图像亮度数据均衡化,以类间方差最大为标准,求得最佳阈值,并将冰凌图像转化为二值图像,通过冰凌像素统计,最终确定冰凌密度.该算法被应用于黄河河道冰凌图像密度的计算中,取得较好的效果.     

人造柱状冰特性的研究

由于地形的变化,冰特性的研究对研究冰川、河、湖、海冰的动力过程以及破冰均有重要意义.本文对人造柱状冰的特性进行研究和分析,给出了人造柱状冰的制备过程和利用压力试验机对人造冰特性进行的测定,主要包括冰冻模具的制作、冰试样的制备和加工以及对于纯水冰柱和含沙冰柱的特性研究.在冰柱的冰冻温度为-10℃、-20℃、-30℃和-4...     

Glyconectin Cell Adhesion Epitope, β-d-GlcpNAc3S-(1→3)-α-l-Fucp,Is Involved in Blastulation of Lytechinus pictus Sea Urchin Embryos

Glycans, as the most peripheral cell surface components, are the primary candidates to mediate the initial steps of cell recognition and adhesion via glycan–glycan binding. This molecular mechanism was quantitatively demonstrated by biochemical and biophysical measurements at the cellular and molecular level for the glyconectin 1 β-d-GlcpNAc3S-(1→3)-α-l-Fucp glycan structure (GN1). The use of adhesion blocking monoclonal antibody Block 2 that specifically recognize this epitope showed that, besides Porifera, human colon carcinoma also express this structure in the apical glycocalyx. Here we report that Block 2 selectively immune-precipitate a Mr 580 × 10³ (g580) acidic non-glycosaminoglycan glycan from the total protein-free glycans of Lytechinus pictus sea urchin hatched blastula embryos. Immuno-fluorescence confocal light microscopy and immunogold electron microscopy localized the GN1 structure in the apical lamina glycocalyx attachments of ectodermal cells microvilli, and in the Golgi complex. Biochemical and immune-chemical analyses showed that the g580 glycan is carrying about 200 copies of the GN1 epitope. This highly polyvalent g580 glycan is one of the major components of the glycocalyx structure, maximally expressed at hatched blastula and gastrula. The involvement of g580 GN1 epitope in hatched blastula cell adhesion was demonstrated by: (1) enhancement of cell aggregation by g580 and sponge g200 glycans, (2) inhibition of cell reaggregation by Block 2, (3) dissociation of microvilli from the apical lamina matrix by the loss of its gel-like structure resulting in a change of the blastula embryonal form and consequent inhibition of gastrulation at saturating concentration of Block 2, and (4) aggregation of beads coated with the immune-purified g580 protein-free glycan. These results, together with the previous atomic force microscopy measurements of GN1 binding strength, indicated that this highly polyvalent and calcium ion dependent glycan–glycan binding can provide the force of 40 nanonewtons per single ectodermal cell association of microvilli with the apical lamina, and conservation of glycocalyx gel-like structure. This force can hold the weight of 160,000 cells in sea water, thus it is sufficient to establish, maintain and preserve blastula form after hatching, and prior to the complete formation of further stabilizing basal lamina.     

High P–T Brillouin scattering study of H2O melting to 26 GPa

The properties of solid and liquid phases of H₂O at high pressure and temperature remain an active area of research. In this study, Brillouin spectroscopy has been used to determine the temperature dependence of sound velocities in H₂O as a function of pressure up to 26 GPa through the phase field of ice VII and into the liquid to a maximum temperature of 1200 K. The Brillouin shift of the quasi-longitudinal acoustic mode moves to lower frequencies upon melting at each pressure. As a test of the method, measurements of the melting of Ar by Brillouin scattering at several pressures show a similar behavior for the acoustic mode, and measured melting points are consistent with previous results. The results of H₂O melting are consistent with previously reported melting curves below 20 GPa. The data at higher pressure indicate that ice melts at a higher temperature than a number of previous studies have indicated.     

黄土高原中部秋季干湿的年际和年代际环流异常特征及与海温的多尺度相关性研究

黄土高原地区作为气候敏感区和生态脆弱区地表干 湿状况的年际和年代际变化特征十分明显. 但以往主要是针对夏季进行分析, 而对黄土高原秋季干湿变化规律及大气环流机理的认识非常有限. 本文基于中国589站最近50 a (1961–2010年)月降水和气温月平均资料、NCEP/NCAR提供的再分析资料以及NOAA提供的海表温度(Sea Surface Temperature, SST) 资料, 运用带通/低通滤波、小波分析、EOF/REOF和回归分析等方法, 在对中国秋季干湿时空演化分类的基础上, 通过研究秋季黄土高原中部干湿演变周期、大气环流特征及与海温的多尺度相关关系, 以揭示影响黄土高原中部秋季干湿变化的物理机理, 并确定影响该区域干湿状况的前兆信号. 小波功率谱分析表明, 黄土高原中部秋季干湿指数存在准4 a和准8 a的周期, 1970–1990年准8 a尺度周期振荡尤为明显. 年际(周期≤ 8 a) 尺度上偏湿年的大气环流特征是, 欧亚大陆中高纬呈“双阻型”, 200 hPa西风急流显著北移, 日本海-鄂霍茨克海受反气旋控制, 其底部的偏东水汽输送带将水汽输入研究区. 年代际(周期 > 8 a)尺度上偏湿年的大气环流特征是, 东亚大陆为一致的低值系统; 200 hPa东亚副热带西风急流减弱北移, 研究区主要水汽来源由经孟加拉湾在中南半岛转向的南风水汽输送及中纬度的西风水汽输送组成. 整个序列上, Nino3区SST指数(Nino3I)超前5个月与秋季干湿指数已呈显著的负相关关系, 而孟加拉湾–中国南海SST指数(BayI)则超前3个月与干湿指数呈现显著的负相关关系. 年际尺度上, 秋季Nino3I, BayI均与秋季干湿指数存在显著相关(准4 a, 4–6 a), 而年代际尺度上, 只有BayI与秋季干湿指数存在显著相关性(准10 a). 黄土高原中部秋季干湿的年际和年代际周期的确定、大气环流异常特征的认识及与海温的多尺度相关关系的建立, 不仅揭示了影响该区域干湿变化的物理机理, 也为干旱气候预测提供了重要的前兆信号. 关键词： 黄土高原中部 干湿特征 海表温度 小波分析     

深海采矿扬矿硬管弹性体建模分析

深海采矿系统中,扬矿管受采矿船的航行速度及海浪、海流等因素的影响会发生横向偏移的问题.对带有集中质量的阶梯式扬矿管的横向偏移进行了建模,并用伽辽金(Galerkin)方法进行求解,通过计算机的模拟计算,分析了扬矿管在不同情况下横向偏移的特性.