团簇Co3FeP异构化反应的热力学与动力学研究

为了寻找团簇Co₃FeP的稳定性、结构和内部作用力等规律，利用密度泛函理论，在B3LYP/Lanl2dz的量化水平下对团簇Co₃FeP进行理论计算，得到5种优化构型，并从化学反应热力学与动力学的角度对其异构化反应中的反应物、过渡态和生成物进行了讨论分析。结果表明，所有构型均为C1对称且构型的空间结构对其熵值有影响；构型的稳定性主要由金属原子与非金属原子所决定，并且在常温常压下构型1^（3）、2^（3）和3^（3）可以稳定存在，是大部分异构化反应的最终产物。因此，在实际材料的开发中，不仅需要注意金属原子与非金属原子之间的作用力以确保构型的稳定性，还应首先考虑对稳定构型1^（3）、2^（3）和3^（3）进行相关研究。     

基于多材质复合管柱的裸眼井壁支撑工艺及应用

已完钻超深裸眼水平井侧钻技术是经济、高效开发油藏剩余油的主要手段之一，传统的磨铣钢套管开窗侧钻技术存在下入摩阻大、磨铣耗时长导致开窗失败等问题。为此，提出了基于多材质复合管柱的超深水平井裸眼井壁支撑工艺，结合中国西北油田已完钻超深裸眼水平井井况，首先，提出了基于“铝合金+碳钢”的多材质复合管柱组合及设计方法；其次，开展了基于管柱实物屈曲实验数据的管柱临界屈曲载荷计算模型适用性评价，并优选出了适合于“铝合金+碳钢”多材质复合管柱的屈曲临界载荷计算模型；最后，研究了综合考虑管柱扭矩、摩阻、刚性、井眼条件、管柱强度及材质的多材质复合管柱下入性分析方法，并利用下入性分析软件对西北油田顺北X1井、X2井、X3井、X4井复合管柱进行了下入可行性评价。该方法在X1井和X2井得到成功应用，进一步论证了该工艺现场应用的可行性。研究成果可为超深水平井裸眼井壁支撑的复合管柱设计和下入可行性评价提供理论参考。     

Self-rolled TiO_2 microscroll/graphene composite for electrochemical dopamine sensing

Dopamine is an important neurotransmitter,and nonenzyme electrochemical sensor of dopamine detection based on highly active material is urgently demanded.In this work,an electrochemical sensor with high sensitivity and selectivity based on self-rolled TiO_2microscroll/graphene composite was developed and validated for dopamine sensing.The device exhibited a superior performance for dopamine detection with a detection limit of 4.25×10~(-9)mol L~(-1),and in the dopamine concentration range of 0.06–90μmol L~(-1),the oxidation currents increased linearly with the concentration.The remarkable performance enhancement was mainly ascribed to the increased surface area due to the porous surface of the TiO_2nanomembrane and highly conductive graphene therein.In addition,we have demonstrated that the sensor could be effectively used on detecting dopamine concentrations in urine samples.Our work demonstrates that the current microscroll-based device is promising in the field of real-time health monitoring for future human community.     

Microstructure,mechanical properties and wear resistance of an Al–Mg–Si alloy produced by equal channel angular pressing

Microstructure, mechanical properties and wear resistance in an ultrafine-grained Al–Mg–Si alloy fabricated utilizing a combination of equal channel angular pressing (ECAP) and dynamic aging were investigated in this paper. The results indicated that the grain size of the ECAP alloy was significantly refined, i.e., to ~239 nm after three ECAP passes. Meanwhile, the yield and tensile strength of the ECAPed material reached 340 MPa and 445 MPa, respectively, while maintaining a significant uniform elongation of 14%. Wear resistance results demonstrated that the wear rate, wear depth and width of the ECAPed material decreased in comparison with the solution-treated (SST) and peak-aged (T6) conditions under a load range of 5–25 N. The adhesive wear that occurs in the undeformed specimens at 10 N does not appear in the ECAPed specimen at the same load, indicating that the ECAPed specimen delay the appearance of more serious wear mechanisms under certain loads. The cooperative interaction of high density nano-scale β" precipitates and dislocations resulted in a combination of super-high strength and good work hardening ability which suppressed the extension of cracks between the friction layer and the plastic deformation zone. As a consequence, the combination of ECAP and dynamic aging brings a significant improvement for antifriction performance of the 6061 aluminum alloy.     

Effect of heat treatment on microstructures and properties of a novel Al-Zn-Mg-Cu alloy for oil drilling

In view of the special requirements for strength, heat resistance and corrosion resistance of Al-Zn-Mg-Cu alloy for oil drilling, the Al-6.2 Zn-2.5 Mg-1.6 Cu alloy was prepared by increasing Cu content on basis of Russian Series 1953 alloy. The effect of heat treatment on the microstructures and properties of the alloy was characterized by optical microscope(OM), scanning electron microscope(SEM) and transmission electron microscope(TEM), and investigated by tensile test at room temperature, thermal exposure test and corrosion test. The results show that the strength after T6 aging treatment exhibit a decrease trend as an increase of the solution temperature from465 °C to 480 °C. After the solution treated by the rate of 470 °C/1 h, second phases dissolve into the matrix very well and the strength property reaches optimum. The alloy has better comprehensive properties treated by a solution treatment of 470 °C/1 h and then followed by an aging treatment of 120 °C/24 h + 170 °C/1 h + 120 °C/24 h. Under the aging state, the precipitated phases inside the grains are suitable in size, while on the grain boundary distribute discontinuously and the precipitate-free zone is obvious. Besides, the alloy still maintain high tensile properties. The yield strength, tensile strength and elongation are 650 MPa, 686 MPa,12.0%, respectively. The yield strength retention after heat exposure is 92%. The alloy has good corrosion resistance and the exfoliation corrosion degree. The average corrosion rate in the H_2S and CO_2 environment is 0.0024 mm/a, which is far less than the required 0.12 mm/a. It is insensitive to H_2S and CO_2 environments.     

激光快速成型TC4合金显微组织及力学性能

采用金相显微镜、扫描电镜、电子拉伸机等，研究了激光快速成型TC4合金沉积态在平行沉积方向和垂直沉积方向的组织和力学性能.结果表明:激光快速成型TC4合金沉积态宏观组织沿沉积方向生长的粗大β柱状晶呈明暗相间的条带状结构，具备典型的魏氏组织特征;垂直沉积方向的强度比平行沉积方向的强度高，但塑性低;合金断口为韧窝状断口，垂直沉积方向的断口韧窝尺寸比平行沉积方向的小.     

La$_{{1-x}}$Sr$_{x}$TiO$_{3}$ 薄膜的高通量 X 射线衍射

高通量材料合成方法和高通量材料表征手段区别于传统低效率的 "试错法"材料发展方法, 极大地加速了材料科学的变革和发展. 通过设计程序进行了高通量 X 射线衍射实验, 在保证数据分辨率条件下, 高效地表征了 La$_{1-x}$Sr$_{x}$TiO$_{3}$ 薄膜上多个数据位点的晶体结构, 验证了其成分的连续变化性质, 为后续开展更多类型的高通量 X 射线衍射实验提供了指导.     

基于三维点云的岩体结构面自动分类与参数计算

结构面间距是岩体稳定性和力学特性分析中的一个重要参数，在岩石力学、采矿工程、边坡监测等领域的数值计算中广泛应用.本文以岩体边坡露头为研究对象，基于非接触测量获得的三维点云数据，提出一种基于密度聚类的结构面细化分类方法；在结构面粗略分组提取的基础上，通过投影变换、散乱点拟合等算法，求得结构面间距和岩体体积节理数.设计开发了结构面细化分类及间距等参数计算与分析原型系统，实际案例分析表明，本文方法可有效实现结构面的自动细化分类，并能够计算出间距等相关参数，可为岩体质量分级和岩体稳定性分析等提供方法支撑.     

单快拍相干信号自适应波束形成方法

针对低快拍条件下相干信号波束形成问题,提出一种单快拍相干自适应波束形成方法。首先,构造Duvall特征消除器滤除阵列接收信号中的期望信号,再利用空间平滑方法解相关。然后,依据Hung Tuner算法对平滑后的协方差矩阵进行Gram Schmidt正交化,快速重构干扰信号子空间。最后,将静态权矢量在干扰子空间内的正交投影作为波束形成最优权矢量。该算法可有效避免协方差矩阵求逆和特征分解造成的复杂计算,且能降低由于期望信号泄露造成的子空间估计误差,在单快拍条件下性能良好。仿真分析验证了算法的优越性和理论分析的有效性。     

Fe~(3+)-水合红菲绕啉二磺酸钠分光光度法测定异烟肼

基于异烟肼分子结构中的酰肼基具有较强的还原性,可将Fe~(3+)还原为Fe~(2+),选择水合红菲绕啉二磺酸钠作为Fe~(2+)的显色剂,建立了可见分光光度法测定异烟肼的新方法.在最佳实验条件下,异烟肼的浓度在0.04~3.2μg·mL-1范围内符合比尔定律,表观摩尔吸光系数ε=1.14×104 L·mol~(-1)·cm~(-1),检测限为0.033μg·mL~(-1).方法可用于异烟肼片剂和尿样中异烟肼含量的测定.