Effect of temperature on dislocation emission from crack tip for BCC metal Mo

The effect of thermally activated energy on the dislocation emission from a crack tip in BCC metal Mo is simulated in this paper. Based on the correlative reference model on which the flexible displacement boundary scheme is introduced naturally, the simulation shows that as temperature increases the critical stress intensity factor for the first dislocation emission will decrease and the total number of emitted dislocations increase for the same external load. The dislocation velocity and extensive distance among partial dislocations are not sensitive to temperature. After a dislocation emission, two different deformation slates are observed, the stable and unstable deformation states. In the stable deformation slate, the nucleated dislocation will emit from the crack tip and piles up at a distance far away from the crack tip, after that the new dislocation can not be nucleated unless the external loading increases. In the unstable deformation state, a number of dislocations can be emitted from the crack lip continuously under the same external load.

Dislocations emission and crack extension at the atomistic crack tip in body-centered-cubic metal Mo

The behaviors of a crack in body-centered-cubic metal Mo under different loading modes were studied using the molecular dynamics method. Dislocation emission was observed near the crack tip in response to mode II loading with theta = 0 degrees in which theta is the inclination angle of the slip plane with respect to the crack plane, and two full dislocations were observed at the stress level of K-II = 1.17 MPa m(1/2) without any evidence of crack extension. Within the range of 0 degrees less than or equal to theta less than or equal to 45 degrees, crack extension was observed in response to mode I loading, and the effect of crystal orientation on the crack propagation was studied, The crack propagated along the [111] slip direction without any evidence of dislocations emission.

P2O5-B2O3-R2O-MO-Al2O3系统玻璃物化性质的研究

以Yb^3+-Er^3+共掺的P2O5-B2O3-R2O-MO-Al2O3(R=Li，Na，K；M=Zn，Ca，Sr，Ba)系统玻璃为研究对象，分别分析了改变B2O3，的含量，以及加入不同种类的碱金属和碱土金属氧化物对玻璃的物理化学性质的影响。研究结果表明，当B2O3的含量增加，玻璃的Tg，Tf上升，热膨胀系数下降；随着修饰体阳离子半径减小，玻璃的溶解速率下降，化学稳定性变好。

Mo原子溅射能量对Mo／Si薄膜微结构的影响

用磁控溅射法制备了Mo／Si薄膜，用AFM和XRD分别研究了Mo原子的溅射能量不同时，Mo／Si薄膜表面形貌和晶相的变化。通过比较发现，随着Mo原子溅射能量的增大，Mo／Si薄膜表面粗糙度增加，Mo和Si的特征X射线衍射峰也越来越强，并且Mo膜层和Si膜层之间生成了Mo-Si2。Mo原子的溅射能量是诱导非晶Si结晶和MoSi2生成的主要原因。

纳米Mo膜的光学特性及最小连续膜厚研究

利用Lambda-900分光光度计，在波长为310～1250nm范围内测量了离子束溅射沉积不同厚度纳米Mo膜的反射率和透射率。选定波长为310nm，350nm，400nm，500nm，550nm，632nm，800nm，1200nm时对薄膜的反射率、透射率和吸收率随膜厚变化的关系进行了讨论。实验结果显示，纳米Mo膜的光学特性有明显的尺寸效应。提出将薄膜对光波长为550nm时的反射率和透射率随Mo膜厚度变化关系的交点对应的厚度作为特征厚度，该厚度可认为是纳米Mo膜生长从不连续膜进入连续膜的最小连续膜厚。利用

不同膜层数的Mo/Si多层膜的表界面粗糙度和软X射线反射率

用磁控溅射法制备了顶层分别是Mo膜层和Si膜层的两个系列的Mo/Si多层膜，它们的周期厚度相同但是膜层数各不相同。Mo/Si多层膜的周期厚度和界面粗糙度由小角X射线衍射（SAXRD）曲线拟和得到。用原子力显微镜测量了Mo/Si多层膜的表面粗糙度。在国家同步辐射实验室测量了Mo/Si多层膜的软X射线反射率。通过理论和试验研究，发现Mo/Si多层膜的软X射线反射率主要由周期数和界面粗糙度决定，表面粗糙度对Mo/Si多层膜的软X射线反射率影响较小。

研究扩散屏障层对Mo/Si多层膜软X射线反射率影响的模拟

在特定波长下,用四层结构模型模拟了Mo/Si多层膜的软X射线反射率.研究了扩散屏障层dMo-on-Si和dSi-on-Mo对Mo/Si多层膜软X射线反射率的影响.研究发现,扩散屏障层并不总是损害Mo/Si多层膜的光学性能,通过合理设计dMo-on-Si和dSi-on-Mo厚度,增加dMo-on-Si与dSi-on-Mo的比值,也能提高多层膜的软X射线反射率.

用不同的Mo靶溅射功率制备Mo／Si多层膜

用磁控溅射法制备了周期厚度和周期数均相同的Mo／Si多层膜，用原子力显微镜和小角X射线衍射分别研究了Mo靶溅射功率不相同时，Mo／Si多层膜表面形貌和晶相的变化。随后在国家同步辐射实验室测量了Mo／Si多层膜的软X射线反射率。研究发现，随着Mo靶溅射功率的增大，Mo／Si多层膜的表面粗糙度增加，Mo的特征X射线衍射峰也增强，Mo／Si多层膜的软X射线峰值反射率先增大后减小。

Mo／Si软X射线多层膜的界面粗糙度研究

用磁控溅射法分别制备了以Mo膜层和Si膜层为顶层的Mo／Si多层膜系列，利用小角X射线衍射确定了各多层膜的周期厚度。以不同周期数的Mo／Si多层膜的新鲜表面近似等同于同一多层膜的内界面，通过原子力显微镜研究了多层膜界面粗糙度随膜层数的变化规律。并在国家同步辐射实验室测量了各多层膜的软X射线反射率。研究表明：随着膜层数的增加，Mo膜层和Si膜层的界面粗糙度先减小后增加然后再减小，多层膜的峰值反射率先增加后减小。

Analysis of the interfaces of [NiFe/Mo](30) and [Fe/Mo](30) multilayers

The interface states of [NiFe/Mo](30) and [Fe/Mo](30) multilayers have been investigated by x-ray small angle reflection and diffuse scattering. Significant interface roughness correlation was observed in both ultrathin [NiFe/Mo](30) and [Fe/Mo](30) multilayers. An uncorrelated roughness of about 27-3.1 Angstrom was revealed in the [NiPe/Mo](30) multilayers, which is explained as originating from a transition layer between the NiFe and the Mo layers. By the technique of diffuse scattering, it is clearly indicated that the interfacial roughness of NiFe/Mo is much smaller than that of Fe/Mo although the lattice mismatch is the same in both multilayers.

Upgrading of liquid fuel from the vacuum pyrolysis of biomass over the Mo-Ni/gamma-Al2O3 catalysts

High amounts of acid compounds in bio-oil not only lead to the deleterious properties such as corrosiveness and high acidity, but also set up many obstacles to its wide applications. By hydrotreating the bio-oil under mild conditions, some carboxylic acid compounds could be converted to alcohols which would esterify with the unconverted acids in the bio-oil to produce esters. The properties of the bio-oil could be improved by this method. In the paper, the raw bio-oil was produced by vacuum pyrolysis of pine sawdust. The optimal production conditions were investigated. A series of nickel-based catalysts were prepared. Their catalytic activities were evaluated by upgrading of model compound (glacial acetic acid). Results showed that the reduced Mo-10Ni/gamma-Al2O3 catalyst had the highest activity with the acetic acid conversion of 33.2%. Upgrading of the raw bio-oil was investigated over reduced Mo-10Ni/gamma-Al2O3 catalyst. After the upgrading process, the pH value of the bio-oil increased from 2.16 to 2.84. The water content increased from 46.2 wt.% to 58.99 wt.%. The H element content in the bio-oil increased from 6.61 wt.% to 6.93 wt.%. The dynamic viscosity decreased a little. The results of GC-MS spectrometry analysis showed that the ester compounds in the upgraded bio-oil increased by 3 times. it is possible to improve the properties of bio-oil by hydrotreating and esterifying carboxyl group compounds in the bio-oil.

Structural studies of NixFe100-x/Mo magnetic multilayers by x-ray small-angle reflection and high-angle diffraction

Magnetic multilayers [NixFe100-x/Mo-30] grown by dc-magnetron sputtering were investigated by x-ray small-angle reflection and high-angle diffraction. Structural parameters of the multilayers such as the superlattice periods, the interfacial roughness, and interplane distance were obtained. It was found that for our NixFe100-x/Mo system, the Mo layer has bcc structure with [110] preferential orientation, while the preferential orientation of the NixFe100-x layer changes from a fee structure with [111] preferential orientation to a bcc structure with [110] preferential orientation with decreasing values of x. An intermixing layer located in the interlayer region between the NixFe100-x and Mo layers exists in the multilayers, and its thickness is almost invariant with respect to an increase of Mo layer thickness and/or a decrease of x in the region of x greater than or equal to 39. The thickness of the intermixing layer falls to zero when x less than or equal to 23.

GaAs中4d过渡杂质Mo与Pd的光电行为

4d过渡杂质Mo、Pd在GaAs中分别引入E（0．42eV）、H（0．61eV）和E（0．66eV）、H（0．69eV）等能级。根据过渡杂质Mo和Pd在GaAs中的光电行为, 推测这些杂质在GaAs中不起有效复合中心的作用。图4参3