三维复杂流动的间断有限元方法模拟

本文基于三维可压缩Euler方程,采用基于Runge-Kutta时间离散的间断有限元方法(RKDG方法),对三维前台阶、三维Riemann问题和球Riemann等问题进行了模拟。结果表明,本文的RKDG方法能够在很少的网格内清晰地捕捉到三维复杂流场中的激波和接触间断;同时,将球Riemann问题中z=0.4平面压强沿到对称轴距离的分布与文献中的近似精确解相比,吻合较好,这也验证了本文的RKDG方法不仅能够进行三维复杂流场的定性描述,也能够应用于三维复杂流场的定量计算。     

水力压裂多裂缝起裂射孔参数优化研究

针对复杂地质近井筒多裂缝起裂的难题, 结合岩体力学与损伤力学相关理论, 建立了近井筒地层流固——损伤力学模型, 采用数值求解获得了射孔壁面的应力及损伤状态, 计算表明:初始地应力最小值越小, 地层的起裂压力越低;射孔方位角越小, 起裂压力越低. 随着射孔方位角增大, 近井筒微裂缝为45° 夹角的拐折裂缝, 起裂压力增大, 基于此, 对于正断层及顺滑断层地应力类型, 取射孔方位角小于30°, 螺旋射孔夹角30°或45°, 对于逆断层地应力类型, 螺旋射孔夹角取45°, 可有效地实现多裂缝起裂.     

GSH对两种谷胱甘肽过氧化物酶模拟物活性影响的研究

设计并合成了谷胱甘肽过氧化物酶(GPX)模拟物6A,6A’-二苯胺-6B,6B’-二硒桥联-β-环糊精(6-AnSeCD). 采用双酶偶联法测定GPX的活力结果显示, 6A,6A’-二环己胺-6B,6B’-二硒桥联-β-环糊精(6-CySeCD)催化谷胱甘肽还原H2O2和枯烯H2O2的活力均比6-AnSeCD的高. 为了进一步考察6-CySeCD和6-AnSeCD与GSH之间的相互作用, 进行了分子动力学(MD)模拟和分子对接研究. 结果表明, 与GSH的结合使GPX模拟物的构象发生变化, 这种改变可能是影响桥连GPX模拟物催化活性的关键因素.     

棱柱绕流流动的数值模拟

利用数值方法对长宽比为1／3, 1和3的棱柱绕流在雷诺数为100的非稳态流动特性进行了分析和研究。采用有限体积法对棱柱绕流的二维流动N-S方程进行离散求解,分析和研究了非稳态的棱柱绕流流场,升力系数,阻力系数和涡动特性,数值模拟的结果与相关文献的数据比较吻合。通过上述研究能够为了解棱柱绕流的非稳态流动特性提供有力的帮助。而对棱柱三维流动的模拟分析和对雷诺数的变化对棱柱流动特性的影响进行研究,将为掌握棱柱绕流的工程特性打下基础。     

竹纤维增强制动摩阻材料摩擦学性能研究

采用竹纤维为增强相制备新型无石棉树脂基复合摩擦材料.通过热失重分析、定速摩擦试验及磨损表面形貌观察等手段探讨竹纤维的含量对材料在不同温度下摩擦学性能的影响.试验结果表明:在树脂基摩阻材料中加入适量竹纤维能改善材料摩擦磨损性能,并具有一定的减震降噪的效果,但在超过其热解温度时会造成竹纤维的碳化、挥发,对基体增强失效;竹纤维质量百分数为13%时试样能获得较稳定的摩擦系数及较低的磨损率;竹纤维含量过多会造成摩阻材料制备工艺性变差,且高温下大量竹纤维碳化剥落会破坏摩擦表面膜的连续性,使摩阻性能显著下降.     

2-位碲桥联环糊精的制备、表征及其谷胱甘肽过氧化物酶活性的研究

该文以三种母体环糊精(CD),即α-、β-和γ-CD为修饰模板,将功能性基团有机碲引入到环糊精次面的2位羟基上,制备得到了三种具有谷胱甘肽过氧化物酶(GPX)活性的GPX模拟物。采用元素分析、红外光谱、核磁共振等手段对三种环糊精衍生物的结构进行了表征。运用GPX经典双酶体系法测定了三种环糊精衍生物的GPX活性,实验结果表明三者均具有很高的催化活性,其中2-位碲桥联γ-环糊精(2-Te-γ-CD)具有最高的GPX活性,其催化谷胱甘肽(GSH)还原过氧化氢(H2O2),叔丁基过氧化氢(t-BuOOH)和枯烯过氧化氢(CuOOH)的活力分别是传统"小分子硒酶"Ebselen的80.5,333.3和118.3倍。     

层流与湍流等离子体冲击射流特性比较

本文采用数值模拟方法,对层流与湍流氩等离子体射流在空气环境中冲击平板时的流动与传热特性进行了对比研究.结果表明,在平板和射流进口间的距离较大时,平板的存在只对其附近的射流参数分布有较大影响,层流等离子体冲击射流的温度与轴向速度的轴向梯度明显小于湍流等离子体冲击射流情形;由于在平板表面形成的径向壁面射流对引射的附加贡献,层流和湍流等离子体冲击射流对环境空气的引射量明显增加.     

羟丙基-β-环糊精与丹参酮IIA包合作用的研究

采用相溶解度法研究了丹参酮 IIA在不同pH和不同摩尔浓度的羟丙基-β-环糊精水溶液中的溶解度及二者的包合常数; 采用热力学方法研究了温度对包合反应的影响, 计算了包合过程的熵变、焓变及自由能变化; 用分子模拟方法进一步证实了该包合物的形成; 用红外光谱对固体包合物进行了表征.     

Dynamic Processes of Cross-Tail Current in the Near-Earth Magnetotail

Current dynamic processes in realistic magnetotail geometry simulations under various driven conditions and Hall effects. are studied by Hall magnetohydrodynamic （MHD） Associated with the external driving force, a thin current sheet with a broad extent is built up in the near-Earth magnetotail. The time evolution for the formation of the current sheet comprises two phases： slow growth and a fast impulsive phase before the near-Earth disruption of the current sheet resulting from the fast magnetic reconnection. The simulation results indicate that as the external driving force increases, the site and the tailward speed of the near-Earth current disruption region are closer to the Earth and faster, respectively. Whether the near-Earth disruption of the current sheet takes place or not is mainly controlled by Hall effects. It is found that there is no sudden disruption of the current sheet in the near-Earth region if the ion inertial length is below di= 0.04.     

Influence of roughness on the detection of mechanical characteristics of low-k film by the surface acoustic waves

The surface acoustic wave （SAW） technique is a precise and nondestructive method to detect the mechanical charac- teristics of the thin low dielectric constant （low-k） film by matching the theoretical dispersion curve with the experimental dispersion curve. In this paper, the influence of sample roughness on the precision of SAW mechanical detection is inves- tigated in detail. Random roughness values at the surface of low-k film and at the interface between this low-k film and the substrate are obtained by the Monte Carlo method. The dispersive characteristic of SAW on the layered structure with rough surface and rough interface is modeled by numerical simulation of finite element method. The Young＇s moduli of the Black DiamondTM samples with different roughness values are determined by SAWs in the experiment. The results show that the influence of sample roughness is very small when the root-mean-square （RMS） of roughness is smaller than 50 nm and correlation length is smaller than 20 μm. This study indicates that the SAW technique is reliable and precise in the nondestructive mechanical detection for low-k films.