第一性原理研究bct-C4碳材料的强度性质

本文采用第一性原理方法,分析了bct-C4碳材料的力学性质,尤其是抗压强度性质,并在研究中分析了在压缩过程中bct-C4碳的 键长随压缩应变的变化规律.计算结果表明, bct-C4碳材料不仅具有优秀的弹性性质和硬度性质,也具有优秀的强度特性, 其沿[100]晶向的抗压强度高于金刚石6.9%.本文的工作表明, bct-C4碳是一种高强度的碳同素异形体, 可以用于压缩包括金刚石在内的各种物质,并可用于研究物质在高压下的结构变化以及力、电学等性质. 同时,作为一范例,本文研究同样可以为寻找力学性质超越金刚石的物质提供参照.     

固体颗粒的结构演化与机械力化学效应

干法、室温振动研磨制备铝超微颗粒, 分别将研磨2 h, 4 h和8 h的铝粉, 在常温下超声水解得到白色Al(OH)₃胶体, 水解产品经干燥、研磨、焙烧后制备出多孔、片状γ -Al₂O₃纳米颗粒, 粒度分布在30---50 nm之间. 借助于X射线衍射(XRD)分析方法和透射电子显微镜(TEM), 研究固体颗粒在细化过程中的能量转换, 分析颗粒的微结构演化与机械力化学反应的关系, 确定理想的研磨时间. 研究结果表明: 固体颗粒在机械力的作用下产生大量的应变和位错缺陷, 使材料处于亚稳、高能活性状态, 易于诱发机械力化学反应, 在一定条件下晶体的表面能、应变能和层错能相互转化; 研磨2 h的铝颗粒内部, 晶格畸变和位错概率最大, 材料显示出极高的化学反应活性, 在超声波激发下, 储存在材料内部的能量被充分释放, 在较短的时间内, 水解生成Al(OH)₃纳米颗粒.     

相对论性力学系统的Birkhoff对称性与守恒量

提出了相对论性力学系统的一种新的对称性,并给出了此对称性导致的守恒量.提出了相对论性力学系统的Birkhoff对称性,即对应于相对论性力学系统的一组Birkhoff动力学函数的运动微分方程的解都满足从另一组Birkhoff动力学函数得到的运动微分方程.证明了与两组Birkhoff动力学函数分别给出的相对论性Birkhoff方程相关联的系数矩阵的各次幂的迹是系统的一个守恒量,从而将Currie和Saletan提出的力学系统的等效Lagrange函数定理拓展到了相对论性Birkhoff动力学系统.给出了两个例子以说明结果的正确性.     

薄膜光学参数表征误差处理技术

针对光度测量数据中难以消除的系统误差对薄膜光学参数表征精度的负面影响,提出一种新型的误差处理技术。选取薄膜光谱系数对折射率和几何厚度的一阶偏导数,对大部分测量入射角满足符号相反或只有其中一个为零的条件的波段,剔除偏导数对全部测量入射角满足符号相同或同时为零条件的奇点波长附近波段,作为反演表征用的光度测量数据采集区域,以最小化光度测量系统误差引起的薄膜光学参数反演表征值相对真实值的偏差大小。通过数值模拟实验,对比研究了该技术对不同偏振光和不同测量入射角范围的适用性及实施技巧,以可复现的数值实验数据和合理的理论解释支持和验证了这种误差处理技术的可靠性。     

光学薄膜鲁棒设计中膜系误差灵敏度控制

提出了一种基于膜系误差灵敏度控制的鲁棒膜系设计方法,建立了鲁棒膜系设计评价函数在膜层参数误差统计分布下的解析表达式,避免统计样本数目有限性造成的样本均值与总体期望的误差,以及过大数目样本造成的长的计算时间消耗,并通过宽带增透膜、中性分光膜和线性透射率滤光片等多种薄膜的鲁棒设计实验证实了其在膜层参数误差控制上的效果。结果表明:该新型鲁棒膜系设计方法具有内在的快速算法特性,其设计膜系对镀膜中的膜厚监控误差不敏感,对于高质量薄膜的重复制备和批量成品率的提高具有实用价值。     

磁场辅助激光熔覆制备Ni60CuMoW复合涂层

采用磁场辅助激光熔覆技术,在Q235钢表面制备了Ni60CuMoW复合涂层,借助SEM,EDS 和XRD 等表征手段对涂层进行了微观组织和物相分析,利用维氏硬度计测试了复合涂层截面的显微硬度分布,通过摩擦磨损实验和电化学测试系统研究了复合涂层的磨损性能和耐腐蚀性能。研究结果表明:涂层主要由-Ni,Cu）固溶体、硅化物和硼化物组成,Cr3Si晶粒细化且均匀致密;磁场辅助作用下,激光熔覆涂层平均显微硬度达到913HV0.5,为无磁场辅助涂层的1.5 倍,磨损失重仅为无磁场涂层的36%,自腐蚀电位上升了100 mV,腐蚀电流密度降低了70%,耐磨耐蚀性能得到了显著改善。     

机械泵驱动两相回路的储液器控温策略研究

本文阐述了一种机械泵驱动两相回路的储液器的控温原理,并对待选的两种控温策略进行了解释:一种是基于电压的PI控制,另一种是基于功率的PI控制。文中将它们作了近似等效转换,并用SINDA/FLUINT软件进行模拟。结果显示:当控温点上升时,两种不同控制策略的控温效果大体一致;但当控温点下降时,由于基于功率的PI控制策略包含有Peltier的制冷功能,可以比基于电压的PI控制策略更快到达控温点。另外,基于功率的PI控制策略在死区内的跳跃更少,其应当为优先选择的控制策略。     

Analysis the microscopic solid‐based wear process in the chemical mechanical planarization

Chemical mechanical planarization (CMP), being the important technique of realizing the surface planarization, has already been widely applied in the microelectronic and computer industry. The abrasive size employed in the CMP, far less than that employed in the conventional grinding and material removal during CMP, is on the order of atoms or clusters of atoms and molecules. Classical continuum mechanics cannot give a reasonable explanation about the phenomenon in the CMP. Large‐scale classical molecular dynamics simulation of tribology interaction among nanoparticles and materials surface has been carried out to investigate the physical essence of surface planarization. The results show that simultaneous impact of several abrasive particles or the repeated impact of abrasive particles leads to material failure. For individual asperity contact in the CMP, non‐obvious Archard adhesive wear or abrasive wear is observed. The contact area is not entirely dependent upon the external pressure but also closely related to the relative position because of lateral motion between the particles and the substrate. The results also justify that no single wear mechanism dominates all operating conditions; different wear mechanisms operate with their relative importance changing as the sliding conditions change. As the slurry particles slide relative to the wafer surface, the atomic groups experience three stages, namely, interlock, elastic–plastic deformation and finally slip process; the surface planarization is mainly accomplished in the last two stages. Copyright © 2011 John Wiley & Sons, Ltd.     

Bioactivity and mechanical properties of nickel‐incorporated hydrogenated carbon nanocomposite thin films

In this paper, the influence of nickel incorporation on the mechanical properties and the in vitro bioactivity of hydrogenated carbon thin films were investigated in detail. Amorphous hydrogenated carbon (a‐C:H) and nickel‐incorporated hydrogenated carbon (Ni/a‐C:H) thin films were deposited onto the Si substrates by using reactive biased target ion beam deposition technique. The films' chemical composition, surface roughness, microstructure and mechanical properties were investigated by using XPS, AFM, TEM, nanoindentation and nanoscratch test, respectively. XPS results have shown that the film surface is mainly composed of nickel, nickel oxide and nickel hydroxide, whereas at the core is nickel carbide (Ni₃C) only. The presence of Ni₃C has increased the sp² carbon content and as a result, the mechanical hardness of the film was decreased. However, Ni/a‐C:H films shows very low friction coefficient with higher scratch‐resistance behavior than that of pure a‐C:H film. In addition, in vitro bioactivity study has confirmed that it is possible to grow dense bone‐like apatite layer on Ni/a‐C:H films. Thus, the results have indicated the suitability of the films for bone‐related implant coating applications. Copyright © 2011 John Wiley & Sons, Ltd.     

Analysis of The Polarographic Method of Studying Metal Complex Equilibria. ii

Abstract

The complexation between Pb(II) and tartrate has been used to experimentally ascertain the effect of precision in the ΔE_1/2 measurement and ligand concentration range upon the data analysis of the polarographic method of studying metal complex equilibria. The need to obtain data at the lowest ligand concentration possible and with ΔE_1/2 ≤ 0.4–0.6 mV was clearly shown. If this precision is unachievable, data from some other technique, based upon a different property, may be required. These experimental results are in agreement with the simulation study of Klatt and Rouseff (Anal. Chem., 42, 1234 (1970)).