The effect of hydrogen on the electronic structure of kink in bcc iron

The electronic structures of kinks in the [100](010) and 1/2[111](−110) edge dislocations in bcc iron containing hydrogen are investigated by means of the first-principles DMol method and the discrete variational method. The effects of hydrogen on the kinks are discussed. The results show that hydrogen forms weak bonding states with its neighboring host atoms, and since hydrogen draws charge from its neighboring host atoms, the interactions between most of the host atoms are weakened compared with those of the corresponding atomic pairs in the clean kinks. This indicates that the migration of kink, i.e. the motion of dislocation, is easier in the doping hydrogen kink than in the clean kink, which may be the solid solution softening effect resulting from the impurity hydrogen. Supported by the National Basic Research Program of China (Grant No. 2006CB605102) and Science Foundation of Central South University of Forestry & Technology (Grant No. 06y016)     

微波辐射磷钼酸铈盐催化柴油氧化脱硫研究

研究微波辐射下磷钼酸铈盐催化模型油和直馏柴油的氧化脱硫反应,考察不同萃取条件对柴油的脱硫率和收率的影响。结果表明,相同反应条件下,相对于普通加热,微波辐射加热时二苯并噻吩（DBT）、苯并噻吩（BT）的脱除率分别提高了4.2倍和3.8倍;在70℃和400 W微波功率下加热2 h,DBT、BT的脱除率分别为95.6%和74.8%;对m（催化剂）/m（柴油）为7.1 mg/g、H2O2初始浓度为0.44 mol/L的柴油,经70℃和4 0 0 W微波功率加热2 h,再在V（萃取剂）/V（柴油）为1/4的条件下用DMF萃取1次,柴油脱硫率为69.6%,收率为97.5%;萃取次数增加,柴油脱硫率提高,但收率明显下降。     

Mechanical properties of Mg(OH)2/polypropylene composites modified by functionalized polypropylene

Modified Mg(OH)₂/polypropylene (PP) composites were prepared by the addition of functionalized polypropylene (FPP); and acrylic acid (AA) and by the formation of in situ FPP. The effects of the addition of FPP and AA and the formation of in situ FPP on the mechanical properties of Mg(OH)₂/PP composites were investigated. Experimental results indicated that the addition of Mg(OH)₂ markedly reduced the mechanical properties of PP. The extent of reduction in notch impact strength of PP was higher than that in flexural strength and tensile strength. However, tensile modulus and flexural modulus increased with increased Mg(OH)₂ content. The addition of FPP facilitated the improvement in the flexural strength and tensile strength of Mg(OH)₂/PP composites. The higher the Mg(OH)₂ content was, the more significant the effect of FPP was. The incorporation of AA resulted in further increased mechanical properties, in particular the flexural strength, tensile strength, and notch impact strength of Mg(OH)₂/PP composites containing high levels of Mg(OH)₂. It not only improved mechanical properties but also increased the flame retardance of Mg(OH)₂/PP composites. Although the mechanical properties of composites modified by the formation of in situ FPP were lower than those of composites modified by only the addition of AA in the absence of diamylperoxide, the mechanical properties did not decline with increased Mg(OH)₂ content. Moreover, the mechanical properties increased with increasing AA content. The addition of an oxidation resistant did not influence the mechanical properties of the modified Mg(OH)₂/PP composites. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 88: 2139–2147, 2003     

基于流形学习的人体动作识别

目的 提出了一个基于流形学习的动作识别框架,用来识别深度图像序列中的人体行为。方法 从Kinect设备获得的深度信息中评估出人体的关节点信息,并用相对关节点位置差作为人体特征表达。在训练阶段,利用LE（Lalpacian eigenmaps）流形学习对高维空间下的训练集进行降维,得到低维隐空间下的运动模型。在识别阶段,用最近邻差值方法将测试序列映射到低维流形空间中去,然后进行匹配计算。在匹配过程中,通过使用改进的Hausdorff距离对低维空间下测试序列和训练运动集的吻合度和相似度进行度量。结果 用Kinect设备捕获的数据进行了实验,取得了良好的效果;同时也在MSR Action3D数据库上进行了测试,结果表明在训练样本较多情况下,本文方法识别效果优于以往方法。结论 实验结果表明本文方法适用于基于深度图像序列的人体动作识别。     

基于粗糙集的Web事务聚类算法

针对现有Web数据挖掘方法发现的知识和规则存在不精确或不完全的问题,将粗糙集引入到Web挖掘中,进行Web事务聚类.粗糙近似算法基于用户访问序列的顺序和内容建立用户事务相似度矩阵,运用基于相似度矩阵的粗糙上近似提取初始类,使用相对相似性的条件作为合并准则,基于约束相似性的上近似形成后续类.粗糙近似算法能够有效挖掘Web访问日志,聚类Web事务,发现用户访问Web页面的模式.     

填充床鼓泡电化学反应器行为特性研究──Ⅰ.丙烯阳极直接氧化的数学模拟

本文建立了填充床鼓泡电化学反应器的一维数模．该模型既考虑了反应动力学，也考虑了体系的基本传递特性．模拟结果可以描述床层的径向电势、电流和浓度分布．     

SEBS的臭氧处理及增韧PA6的研究

研究了臭氧处理对氢化苯乙烯-丁二烯-苯乙烯嵌段共聚物(SEBS)分子结构及其极性的影响,并对臭氧处理SEBS增韧PA6进行了研究。结果表明,通过臭氧处理可在SEBS分子链上引入羰基含氧基团,臭氧处理的SEBS相对分子质量下降,相对分子质量分布变宽,表面能提高,极性增大。与PA6／SEBS体系相比,PA6／臭氧处理SEBS体系的相容性得到明显改善,其冲击强度和断裂伸长率大幅度提高。     

机压成型高效节能格子砖

机压成型高效节能格子砖丘必云，黄渊鳞，林剑成（中国轻工总会玻璃搪瓷研究所２０００５２）ＰｒｅｓｓｅｄＨｉｇｈＥｆｆｉｃｉｅｎｔＣｈｅｃｋｅｒｓ￥ＱｉｕＢｉｙｕｎ；ＨｕａｎｇＹｕａｎｌｉｎ；ＬｉｎＪｉａｎｃｈｅｎｇ（Ｇｌａｓｓ＆ＥｎａｍｅｌＲｅｓｅａｒ...     

考虑大气沉降的湖库分区动态水环境容量精细解析

针对面源污染为主的湖库型流域,为建立水质目标管理与污染总量控制之间更精准的响应关系,借鉴日最大负荷总量模式,基于物质量平衡原理提出考虑径流丰枯变化、不均匀混合、大气沉降等影响因素的湖库分区动态水环境容量精细解析方法,包括污染混合区设置、代表水文系列确定、逐日分区水量水质计算。以沙河水库为例,分别以全湖Ⅱ类、主湖Ⅱ类作为水质管理目标,采用2010—2015年代表水文系列对总氮动态水环境容量进行精细解析。结果表明：全湖Ⅱ类、主湖Ⅱ类水质管理目标下沙河水库总氮水环境容量的多年均值分别为36.7 t和99.43 t,若不考虑湖滨混合区,全湖Ⅱ类水质目标下总氮的年水环境容量计算值偏大66.43%;实施水质目标管理的水域面积越大,大气沉降对水环境容量的影响越大;径流年际及年内丰枯变化对水环境容量的影响显著;各分区总氮控制总量占全流域总量的比例与面积比基本一致。湖库分区动态水环境容量精细解析可量化不同因素对水环境容量计算结果的影响,科学解析面源输入型湖库水环境容量的时空结构特征,实现水质目标管理与污染总量分区管控的有机联动,更好地支撑流域水环境的精细化管理。