Important issues in a molecular dynamics simulation for characterising the mechanical properties of carbon nanotubes

This paper discusses several important issues in a molecular dynamics simulation for analysing carbon nanotubes and their mechanical properties. In particular, the paper addresses the problems in selecting appropriate inter-atomic potentials, number of thermostat atoms, thermostat techniques, time and displacement steps and number of relaxation steps to reach the dynamic equilibrium. Based on these, the structural changes of armchair and zigzag nanotubes and their mechanical properties are investigated. The Young's modulus and Poisson's ratio of the armchair tube are 3.96 and 0.15 TPa, respectively, and those of the zigzag tube are 4.88 and 0.19 TPa, respectively. The best simulation technique identified in this study predicts that the ultimate tensile strain of a carbon nanotube is around 40% before atomic bond breakage.     

二聚炔醇酸性介质缓蚀剂的合成与应用

对二聚炔醇化合物ＤＭＨ的合成、分子结构及缓蚀作用机理进行了论述。因ＤＭＨ化合物具有独特的分子结构，形成了稳定的络合体系及基团的屏蔽效应，增加了缓蚀被膜厚度及缓蚀体系的化学稳定性，实验证实ＤＭＨ是酸性介质中的高效缓蚀剂。     

Laboratory study of soil acidification and leaching of nutrients from a soil amended with various surface-incorporated acidifying agents

Granular S, finely-ground S, iron sulphate and aluminium sulphate were added at two rates to the surface (0–6 cm) of a soil and acidification and leaching of nutrients were measured over 12 months in a laboratory study. Iron and aluminium sulphate both rapidly lowered soil pH in the top 0–6 cm of the soil. There was little difference in soil pH after 3 and 12 months reaction of these two amendments. In contrast, for granular S and finely-ground S there were clear decreases in soil pH between 3 and 12 months reaction with the soil. Finely-ground S was oxidized in the soil faster than granular S and therefore had a more acidifying effect. The top 0–6 cm of the soil was acidified by all the agents used but the deeper soil was less affected. The only treatments which lowered the pH of the 12–18 cm layer below pH 6 were the high rates of iron and aluminium sulphate. Soil acidification resulted in a decrease in exchangeable Ca, Mg and K, an increase in exchangeable Al and a decrease in effective CEC in the acidified soil layers.At both levels of addition, total ionic strength of percolates from the soil followed the order: aluminium sulphate = iron sulphate > finely gound S > granular S > control and was higher at the higher rate of addition. The pH values of percolates followed the order: control > granular S > finely ground S > iron sulphate = aluminium sulphate and were lower at the higher rate of addition. For the amended soils there was a very close relationship between the pattern and total amounts of SO ₄ ^2- and Ca²⁺ leached.It was concluded that granular S is not an effective acidifying agent since it is oxidized very slowly in the soil and that acidfying agents should be incorporated to the depth that acidification is required.     

Chemical and Physical Signals Mediating Conspecific and Heterospecific Aggregation Behavior of First Instar Stink Bugs

We investigated cues that mediate the aggregation behavior of immature pentatomid bugs by using nymphs of six different pentatomid bug species (Nezara viridula, Acrosternum hilare, Chlorochroa ligata, Chlorochroa sayi, Thyanta pallidovirens, and Euschistus conspersus). When first instars of any two species were put together in a Petri dish, they readily formed heterospecific aggregations similar to their natural conspecific aggregations. The chemical profiles of first and second instar nymphs of each species were determined by solvent extraction with pentane, followed by GC-MS analysis. Immature bugs of the different species had some compounds in common, and some that were more species specific. Within a species, there were distinct differences in the profiles of compounds extracted from first and second instars. Bugs did not aggregate around untreated polysulfone beads (1 mm diam) that were glued together in groups approximating bug egg masses, suggesting that tactile cues alone were insufficient to induce aggregation. Furthermore, when tested over a range of doses, groups of polysulfone beads treated with crude whole-body extracts of bugs did not induce or maintain aggregations. However, first instar N. viridula nymphs did respond to beads treated with two of the three major components of bug extracts. 4-Oxo-(E)-2-decenal induced significant aggregations at two doses, whereas tridecane, the major component in extracts from all six species, did not, and (E)-2-decenal was repellent. The repellence of (E)-2-decenal may explain why we and previous researchers were unable to induce aggregations of first instar N. viridula using whole-body extracts.     

纳米稀土复合固体超强酸催化合成乙酸苄酯

采用共沉淀法制备了纳米稀土复合固体超强酸SO4^2-／ZrO2-2％Nd2O3催化剂，电镜分析表明，催化剂颗粒直径在25nm左右，比表面积测定：71．03m^2／g。酸强度-12．70〈Ho〈-11．99。并对合成乙酸苄酯的最佳反应条件进行了研究。研究表明：当苯甲醇与乙酸的物质的量比为1：2，反应时间为5h，反应温度为120℃，催化剂用量为6％苯甲醇的质量时，酯化率可达92．04％。研究发现，该催化剂可重复使用并可活化再生。     

Available nitrogen in soils and its determination by the ‘Nmin-method’ and by electroultrafiltration (EUF)

Excess nitrogen fertilizer rates are an environmental hazard. To avoid excess rates, the level of available nitrogen in the soil must be known and considered for assessing the nitrogen fertilizer rate. In arable soils nitrate and exchangeable ammonium in the rooting depth of a crop are directly available to plant roots. These two nitrogen forms are recovered with the Nmin method and they are considered in assessing the nitrogen fertilizer rate for arable crops.Besides nitrate and ammonium recovered by the Nmin method from soil samples taken in early spring, a considerable amount of organic soil nitrogen may be mineralized during the growth period and contribute to crop nutrition. The nitrogen mineralization potential can be determined in incubation tests. The absolute quantities of mineralized nitrogen thus obtained, however, are much higher than the mineralization rates under field conditions. It is for this reason that incubation tests have not obtained a major importance for assessing nitrogen fertilizer rates.With the electro-ultrafiltration (EUF) method nitrate, ammonium, and a minor portion of organic soil nitrogen are extracted from a soil suspension. There is experimental evidence that this organic nitrogen (=Norg) is easily mineralizable. Based on field experiments with cereals and maize formulae were established by which the nitrogen fertilizer rate can be calculated. In these formulae nitrate, ammonium and organic nitrogen extracted by EUF are considered.Advantages and drawbacks of the Nmin method and EUF method are discussed.     

Monitoring slope deformation using a 3-D laser image scanning system:a case study

An ILRIS-36D 3-D laser image scanning system was used to monitor the Anjialing strip mine slope on Pingshuo in Shanxi province.The basic working principles,performance indexes,features and data collection and processing methods are illustrated.The point cloud results are analyzed in detail.The rescale range analysis method was used to analyze the deformation characteristics of the slope.The results show that the trend of slope displacement is stable and that the degree of landslide danger is low.This work indicates that 3-D laser image scanning can supply multi-parameter,high precision real time data over long distances.These data can be used to study the distortion of the slope quickly and accurately.     

数控加工三维场景几何建模技术研究

讨论了基于构件技术的数控加工三维场景建模技术,并以OpenGL和Visual C++6.0为开发平台,开发出一个基于STL文件格式的建模系统.