Molecular manipulation using a tunnelling microscope

In a very short time the scanning tunnelling microscope has become an important tool in surface science, and physics in general. Its primary use has been to obtain atomic-resolution images of surfaces, but recently, efforts have been made to use it to manipulate materials as well as image them. One may now reasonably ask if it is possible to move and alter matter predictably on an atomic scale. Here we report the accomplishment of the smallest yet, purposeful, spatially localized changes in matter, effected on a graphite surface. We believe that the changes result from the pinning of individual organic molecules to the graphite. The reverse manipulation, the removal of pinned molecules, has also been demonstrated. Finally, we have evidence that we can remove a portion of a pinned molecule, effectively performing transformations on single molecules using the tunnelling microscope.     

提高14MeV中子热化效率的研究

为了提高14 MeV中子的热化效率,采用MCNP模拟,用多种材料、多层结构的组合对其慢化.用铅反射中子、慢化快中子,用镁聚集热中子,用水慢化中子.MCNP模拟结果显示,快中子反射层、快中子慢化层、热中子聚集层以及中子反射层可以使热化效率分别提高185％,37％,80％和538％.     

Imaging the atomic arrangements on the high-temperature reconstructed alpha-Al2O3(0001) surface.

Alumina is a technologically important oxide crystal because of its use as a catalyst and as a substrate for microelectronic applications. A precise knowledge of its surface atomic structure is a prerequisite for understanding and controlling the physical processes involved in many of its applications. Here we use a dynamic scanning force microscopy technique to image directly the atomic structure of the high-temperature phase of the alpha-Al2O3(0001) surface. Evidence for a surface reconstruction appears as a grid of protrusions that represent a rhombic unit cell, and we confirm that the arrangement of atoms is in the form of surface domains with hexagonal atomic order at the centre and disorder at the periphery. We show that, on exposing the surface to water and hydrogen, this surface structure is important in the formation of hydroxide clusters. These clusters appear as a regular pattern of rings that can be explained by self-organization processes involving cluster-surface and cluster-cluster interactions. Alumina has long been regarded as the definitive test for atomic-resolution force microscopy of insulators so the whole class of insulating oxides should now open for direct atomic-scale surface investigations.     

Recent advances in additive-enhanced magnesium hydride for hydrogen storage

The discovery of new hydrogen storage materials has greatly driven the entire hydrogen storage technology forward in the past decades. Magnesium hydride, which has a high hydrogen capacity and low cost, has been considered as one of the most promising candidates for hydrogen storage. Unfortunately, extensive efforts are still needed to better improve its hydrogen storage performance, since MgH2 suffers from high operation temperature, poor dehydrogenation kinetic, and unsatisfactory thermal management. In this paper, we present an overview of recent progress in improving the hydrogenation/de-hydrogenation performance of MgH2, with special emphases on the additive-enhanced MgH2 composites. Other widely used strategies (e. g. alloying, nanoscaling, nanoconfinement) in tuning the kinetics and thermodynamics of MgH2 are also presented. A realistic perspective regarding to the challenges and opportunities for further researches in MgH2 is proposed.     

数字实时全息对物体微小形变的测量研究

本文介绍了实时全息法和数字全息法的发展近况,实验中以透明物件横向受压产生形变的过程,采用数字实时全息干涉摄影系统记录试件应力场分布及其变化,用MATLAB编程处理视频文件连续的呈现出物体的实时变化情况.     

Defects in NTD InP probed by positron annihilation spectroscopy

Two samples of high purity InP extracted from the same wafer were examined by positron annihilation spectrum analysis after having been, processed by means of thermal Neutron Transmutation Doping (NTD). Compared with the as grown sample with an average positron lifetime of 246 ps at 300 K, the high dose doped one has an average lifetime of 251 ps and the lower dose doped one 248 ps measured under the same condition, indicating that some defects have been introduced in the NTD process. Annealing experimental results show a steady decrease in the average lifetime with increasing annealing temperature up to 550°C. And a peak in lifetime curve around 500°C was observed which may be attributed to defects related structure conversion. Temperature experiments conducted on the low dose doped sample from 150K to 290 K suggest the existence of vacancy-impurity complex which have given rise to an abnormal reduction of average lifetime with increasing temperature. Also a n-type InP sample (A61) was irradiated with thermal neutrons in another reactor and the lifetime results display an increase of 15 ps. Furthermore, to study epithermal neutron irradiation effects on InP, measurements were performed on an n-type InP sample (N119) along with one p-type sample (P118) after having been irradiated with high fluence of epithermal neutrons. The former has an average lifetime of 262 ps and the latter 247 ps after irradiation. The results prove that on some occassion epithermal neutrons can produce sizable defects in InP. Foundation item: Supported by the Science Foundation of Hubei Province (203980532) Biography: WEN Xiang-e (1976-), male, Master candidate, Research direction; majar research interest is defects in semiconductor materials using positron annihilation spectroscopy.     

锂离子电池正极材料安全性能——热稳定性

锂离子电池由于安全性问题，使大容量电池的应用受到限制，比如用作电动汽车（EV）、混合动力汽车（HEV）的动力电源。以不同正极材料组装成AA型锂离子电池，研究其热稳定性。试验结果表明尖晶石型LiMn2O4作为锂离子电池正极材料，热稳定性最好；新型包埋镍酸锂梯度正极材料有高的比能量和优良的循环性。     

液相有机氢载体的催化研究与应用

氢能清洁高效、能量密度高，是理想的能源载体，也是公认的未来能源发展方向之一。氢气的存储是氢能利用的关键环节，目前仍没有完美适配所有场景的储氢材料，储氢技术的选择势必要以使用场景为导向。液相有机氢载体（liquid organic hydrogen carriers，LOHCs）作为一种液相储氢材料，在运输方面具有独特的应用优势。本文介绍了常见的液相有机储氢材料，重点探讨了适用于运输工具（车、船、航空器等）的LOHCs，综述其加氢/脱氢的催化研究进展、应用技术难点，并展望了其应用前景。     

Gas-phase hydrogenation influence on defect behavior in titanium-based hydrogen-storage material

Titanium and its alloys are promising materials for hydrogen storage. However, hydrogen penetration accompanies the exploitation of hydrogen storage alloys. In particular, hydrogen penetration and accumulation in titanium alloys changes their mechanical properties. Therefore, the research works of such materials are mainly focused on improving the reversibility of hydrogen absorption-liberation processes, increasing the thermodynamic characteristics of the alloys, and augmenting their hydrogen storage capacity. In the process of hydrogenation-dehydrogenation, the formed defects both significantly reduce hydrogen storage capacity and can also be used to create effective traps for hydrogen. Therefore, the investigation of hydrogen interaction with structural defects in titanium and its alloys is very important. The present work, the hydrogen-induced formation of defects in the alloys of commercially pure titanium under temperature gas-phase hydrogenation(873 K) has studied by positron lifetime spectroscopy and Doppler broadening spectroscopy. Based on the evolution of positron annihilation parameters τ_f, τ_d, their corresponding intensities If, Idand relative changes of parameters S/S_0 and W/W_0, the peculiarities of hydrogen interaction with titanium lattice defects were investigated in a wide range of hydrogen concentrations from 0.8at% to 32.0at%.     

Mg_2SiO_4/C材料显微结构及其抗侵蚀性研究

以锆英砂和电熔镁砂为原料，合成ＺｒＯ_２增韧的镁橄榄石材料，进而加入 鳞片状石墨，得到Ｍｇ_２ＳｉＯ_４／Ｃ（－ＺｒＯ_２）－Ｃ复合材料。用扫描电镜、Ｘ射线衍射仪、 差热、红外光谱等手段研究了该材料的显微结构和矿物组成。表明该材料具 有优异的高温强度、抗侵蚀性和热震稳定性，是一种新型耐火材料。     

Preparation and Investigation on Novel Biodegradable Films Based on Konajac Glucomannan and Palmitoylated Konjac Glucomannan

Konjac glucomannan(KGM) has been generally used in food,film-former and biomedical applications,especially in the edible packing films due to its excellent film-forming ability,good biocompatibility and biodegrade-ability.It has the common flaws of natural polymers,such as low mechanical properties and poor antimicrobial activity,which severely limit their applications.In this paper,novel biodegradable films(NBF) of KGM with palmitoylated KGM(PKGM) were prepared by using the solventcasting technique.The structure,thermal and mechanical properties of the NBF were investigated.The results suggested that a strong hydrogen bonding was formed in NBF,which resulted in good miscibility between KGM and PKGM.The tensile strength and elongation at break of the NBF were enhanced significantly with the increase of PKGM in a certain range.With the addition of 0.75%PKGM by weight,tensile strength and elongation at break of NBF were improved largely to 117.12 MPa and 14.39%.From this work,we hope to provide one of the promising ways to design new edible food films and coatings materials with good mechanical properties.     

Radiation-induced precipitation of transmutation elements rhenium/osmium and their effects on hydrogen behavior in tungsten

Here,we review recent computational findings focused on the behavior of transmutation elements (TEs) in Tungsten (W).W is chosen as one of the most promising materials for the divertor armor and plasma facing components in future fusion reactors.However,W in exposure of fusion neutrons can cause the transmutation reaction and produce TEs,such as rhenium and osmium.The presence of TEs can change chemical component of materials,and therefore inevitably influence the microstructure and properties of W materials.Multiscale simulation methods have been employed to investigate the dissolution,diffusion and radiation induced precipitation of TEs,as well as their effects on the behaviors of hydrogen isotopes in W.This systematic review can provide an insightful understanding to estimate the influence of TEs on the properties and performance of Wbased materials.     

指向概率方法在中子伽马测井计算中的应用

应用蒙特卡罗方法,成功地模拟了中子伽马测井的物理过程和中子的输运过程、热中子的俘获以及中子伽马射线的产生和输运过程.用指向概率方法计算了中子伽马射线对探洲器的通量贡献,用群截面数据库模拟中子,用点截面数据模拟伽马光子,计算绘出的中子伽马能谱峰值与所选择的特征能量非常吻合,从而证明了蒙特卡罗方法在核测井领域应用的可行性.     

聚丙烯亚胺树形偶氮化合物的合成与表征

通过改进反应条件合成了第一代聚丙烯亚胺树形分子,用对乙酰氨基苯 磺酰氯改性该树形分子,制得聚丙烯亚胺树形偶氮经合物,该化合物由于可能具有独特的光学性质而应用于全息材料,合成产物用红外光谱,元素分析和核磁共振表征,结果与理论结构相符合。     

Interaction of hydrogen with metal nitrides and imides

The pursuit of a clean and healthy environment has stimulated much effort in the development of technologies for the utilization of hydrogen-based energy. A critical issue is the need for practical systems for hydrogen storage, a problem that remains unresolved after several decades of exploration. In this context, the possibility of storing hydrogen in advanced carbon materials has generated considerable interest. But confirmation and a mechanistic understanding of the hydrogen-storage capabilities of these materials still require much work. Our previously published work on hydrogen uptake by alkali-doped carbon nanotubes cannot be reproduced by others. It was realized by us and also demonstrated by Pinkerton et al. that most of the weight gain was due to moisture, which the alkali oxide picked up from the atmosphere. Here we describe a different material system, lithium nitride, which shows potential as a hydrogen storage medium. Lithium nitride is usually employed as an electrode, or as a starting material for the synthesis of binary or ternary nitrides. Using a variety of techniques, we demonstrate that this compound can also reversibly take up large amounts of hydrogen. Although the temperature required to release the hydrogen at usable pressures is too high for practical application of the present material, we suggest that more investigations are needed, as the metal-N-H system could prove to be a promising route to reversible hydrogen storage.     

Direct observation of a local thermal vibration anomaly in a quasicrystal

Quasicrystals have long-range order with symmetries that are incompatible with periodicity, and are often described with reference to a higher-dimensional analogue of a periodic lattice. Within the context of this 'hyperspace' crystallography, lattice dynamics of quasicrystals can be described by a combination of lattice vibrations and atomic fluctuations--phonons and phasons. However, it is difficult to see localized fluctuations in a real-space quasicrystal structure, and so the nature of phason-related fluctuations and their contribution to thermodynamic stability are still not fully understood. Here we use atomic-resolution annular dark-field scanning transmission electron microscopy to map directly the change in thermal diffuse scattering intensity distribution in the quasicrystal, through in situ high-temperature observation of decagonal Al72Ni20Co8. We find that, at 1,100 K, a local anomaly of atomic vibrations becomes significant at specific atomic sites in the structure. The distribution of these localized vibrations is not random but well-correlated, with a quasiperiodic length scale of 2 nm. We are able to explain this feature by an anomalous temperature (Debye-Waller) factor for the Al atoms that sit at the phason-related sites defined within the framework of hyperspace crystallography. The present results therefore provide a direct observation of local thermal vibration anomalies in a solid.     

壳聚糖热裂解催化剂的筛选

利用热分析技术对添加系列金属氧化物、金属盐等催化剂后壳聚糖的热裂解过程进行了研究.通过比较壳聚糖的起始分解温度、最大分解温度和终止分解温度,发现氧化钒,硝酸铜,硝酸镍等催化剂能明显加快壳聚糖的热裂解,降低其分解温度,是良好的壳聚糖热裂解制氢催化剂.     

Atomic-scale imaging of DNA using scanning tunnelling microscopy

The scanning tunnelling microscope (STM) has been used to visualize DNA under water, under oil and in air. Images of single-stranded DNA have shown that submolecular resolution is possible. Here we describe atomic-resolution imaging of duplex DNA. Topographic STM images of uncoated duplex DNA on a graphite substrate obtained in ultra-high vacuum are presented that show double-helical structure, base pairs, and atomic-scale substructure. Experimental STM profiles show excellent correlation with atomic contours of the van der Waals surface of A-form DNA derived from X-ray crystallography. A comparison of variations in the barrier to quantum mechanical tunnelling (barrier-height) with atomic-scale topography shows correlation over the phosphate-sugar backbone but anticorrelation over the base pairs. This relationship may be due to the different chemical characteristics of parts of the molecule. Further investigation of this phenomenon should lead to a better understanding of the physics of imaging adsorbates with the STM and may prove useful in sequencing DNA. The improved resolution compared with previously published STM images of DNA may be attributable to ultra-high vacuum, high data-pixel density, slow scan rate, a fortuitously clean and sharp tip and/or a relatively dilute and extremely clean sample solution. This work demonstrates the potential of the STM for characterization of large biomolecular structures, but additional development will be required to make such high resolution imaging of DNA and other large molecules routine.     

利用液晶空间光调制器制作彩虹合成全息图

本文综合了合成全息和二步彩虹全息的原理特点,介绍了彩虹合成全息图的制作,并利用液晶空间光调制器作为光路中的相干光转换器件,自动切换合成时所需要的二维图片,将光电子技术、计算机技术与全息技术相结合,提高了全息合成工艺的自动化水平.     

水性聚氨酯活性及其对复合材料性能影响的探究

通过合成未封端型水性聚氨酯(WPU)并控制其保存时间发现其反应活性可控,然后将反应活性不同的WPU与淀粉密炼制备一系列水性聚氨酯-淀粉(WCS)复合材料,并对所得复合材料的基本性能进行表征,以此来探索WPU作为反应型增容剂的可行性.研究发现WPU的活性随时间的变化趋势为：未封端型WPU在不超过3 d的时间内仍保持反应活性,超过3 d就表现出失活的特性.进一步探究活性不同的WPU制备的WCS复合材料的基本性能,发现具有活性的WPU由于含有—NCO反应性基团可以与淀粉的—OH基团之间形成氨基甲酸酯键和部分氢键,从而使制得的WCS复合材料体系的界面具有很好的相容性.研究中使用WPU作为复合材料的反应型增容剂是一种新的尝试,可以克服传统制备聚氨酯需要加入有机溶剂而不环保的缺点,而且其操作过程也更为简便.此外,本工作也为具有反应活性的WPU在复合材料方面的应用奠定了一定的基础.