Effect of Ammonia on the Gas-Phase Hydration of the Common Atmospheric Ion HSO4?

Hydration directly affects the mobility, thermodynamic properties, lifetime and nucleation rates of atmospheric ions. In the present study, the role of ammonia on the formation of hydrogen bonded complexes of the common atmospheric hydrogensulfate (HSO₄⁻) ion with water has been investigated using the Density Functional Theory (DFT). Our findings rule out the stabilizing effect of ammonia on the formation of negatively charged cluster hydrates and show clearly that the conventional (classical) treatment of ionic clusters as presumably more stable compared to neutrals may not be applicable to pre-nucleation clusters. These considerations lead us to conclude that not only quantitative but also qualitative assessment of the relative thermodynamic stability of atmospheric clusters requires a quantum-chemical treatment.     

SCLC法测量非晶硅有效隙态密度

提出了用空间电荷限制电流（SCLC）法测量非晶硅材料的有效隙态密度的新方法，并且报告了用4061A型半导体综合测试仪测量有效隙态密度的结果。测量结果发现与用低频电容法所得结果相符。     

Importance of Low-Temperature Melt-Mixing on the Construction of Stereocomplex Crystallites with Superior Nucleation Efficiency in Asymmetric Poly(l-lactide)/Poly(d-lactide) Blends

The nucleation efficiency (NE) of stereocomplex crystallites (SCs) formed in asymmetric poly(L-lactide)/poly(D-lactide) (PLLA/PDLA) blends is generally unsatisfactory because the competition between stereocomplexation and chain mixing involved in the melt-mixing process can cause low formation efficiency and even severe aggregation of SCs. Herein, it is attempted to achieve high-efficient formation of finely dispersed SCs particles by designing a unique melt-mixing procedure, where the mixing of PLLA with 0.75 wt% PDLA is first performed at elevated temperatures (far above the melting temperature of SCs) to allow the homogeneous mixing of PLLA/PDLA chains and then at a low temperature (slightly above that of homocrystallites) to permit the full stereocomplexation of the premixed chains. It is found that the SCs formed in the blends exhibit unexpectedly low NEs (e.g., 54.5%), much inferior to that (73.6%) in the counterpart without undergoing premixing. This is because the introduction of premixing leads to a remarkable deterioration in the amount of SCs particles formed, despite decreased particle size, highlighting that the direct mixing at low temperatures of 170–180 °C (about 20–30 °C lower than that used in common melt-processing of PLA) is more effective for the construction of SCs with superior NE. The mechanisms for these striking findings are discussed.     

Numerical simulation of microstructure formation ofAZ91 using mCA method

A stochastic model for simulating the microstructure formation of Mg alloy AZ91 during solidification was developed based on the finite element method（FEM） for macroscopic model of heat transfer calculation and a modified Cellular Automaton （mCA） for microscopic modeling of nucleation, growth of crystal. In this model, the effect of solute redistribution, interface curvature and preferred orientation was considered. A numerical simulation was developed with C＋＋ program language. The computation was carded out to understand the effect of varying processing parameters, such as nucleation parameters and heat transfer coefficient, on the microstructure formation of AZ91. The result of simulation was displayed on screen.     

CALCULATION OF TRANSFORMATION VOLUME FRACTION TO HQ590 HOT ROLLED STRIP STEEL DURING CONTINUOUS COOLING

On the basis of phase transformation kinetics, the transformation of γ→α,P,B have been investigated through considering the effect of deformation. The calculation methods of volume fraction have also been given. Comparing with common method, the simulated results are in more agreement with experiment results.     

THERMAL DEMAGNETIZATION AND RANDOMNESS OF DOMAIN NUCLEATION OF SINGLE PHASE Nd_2 Fe_(14) B

Based on the observation of temperature variation of both domain structure and magnetic con-trast.the thermal demagnetization and randomness of domain nucleation was discussed.     

球墨铸铁凝固过程微观组织模拟

根据热力学和凝固原理等，建立了凝固过程中热传递、溶质传递和石墨球、奥氏体形核、生长的数学物理模型，以能量最小原理为基础，考虑体积自由能和界面能的定量影响，对奥氏体晶粒的形核和生长进行了摸拟。根据所建立的模型。采用了Microsoft Visualc 6．0开发平台开发了相应的三维模似计算程序和二维动态显示程序。     

添加剂硫对Ni-Mn-Co粉末触媒合成金刚石的影响

本研究考察了高温高压条件下添加剂硫对Ni-Mn-Co粉末触媒合成金刚石的影响，并在此基础上，考察了含硫金刚石的机械性能。研究表明：硫对Ni70Mn25Co5粉末触媒合成金刚石的成核有明显的抑制作用，随着硫含量的增加，成核呈减少趋势；添加剂硫影响晶体的颜色和晶形，随添加剂含量的增加，晶体的颜色呈加深趋势，硫的添加使晶体的表面出现孔洞缺陷，当硫含量较低时，孔洞缺陷多分布在（100）晶面上，当硫含量较高时，（111）晶面上也出现孔洞，致使晶体的完整性受到制约；添加剂硫影响金刚石的机械性能，随着添加剂硫含量的增加，含硫金刚石的冷冲击强度（TI）和热冲击强度（TTI）呈明显的下降趋势。     

TiAl 合金中的γ→α析出转变行为

研究了Ti-48Al和Ti-48Al—0．8B合金中的γ→α析出转变，分析了α析出相的生长形态、晶体学特征、生长动力学及α／γ相界面结构。结果显示α相从γ相中析出有两种方式：一种是从γ晶粒内沿{111}，晶面以片状形貌析出，且α相与γ基体保持共格位向关系；另一种则是在γ晶界上通过不连续析出转变，以不规则的块状形貌析出，并向着晶界一侧与之无位向关系的γ晶粒内生长。添加0．8％(摩尔分数)B能显著降低γ晶粒内片状α析出相的形核率，并抑制α相生长。HREM分析表明：片状α相是在γ相的堆垛层错上形核，并通过“台阶-凸起-扭折”机制生长；α／γ相界面上复杂层错的存在及台阶形核率低是片状α相沿厚度方向生长缓慢的主要原因。     

液压凿岩机活塞与缸体之间间隙的设计计算

根据液压凿岩机活塞的运动规律，建立了活塞运动微分方程，推导了其运动学参数的解析表达式。研究了液压凿岩机活塞与缸体间隙密封段的局部温升和能量损失，建立了其数学模型，根据该模型可以求得活塞与缸体之间合理的间隙范围。