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。     

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.     

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.     

页岩气低伤害超临界CO2凝胶压裂液研究

针对常规水压裂液会对页岩造成伤害，容易产生水锁，不易返排，还造成水资源消耗和污染环境等问题，制备了低伤害二氧化碳凝胶压裂液。将自备的F2EU和F4EU增稠剂加入到超临界CO₂基液中，探究两种增稠剂的加入量对CO₂凝胶压裂液黏度的影响，综合考虑成本与效果，优选了2%的F4EU增稠剂，可将CO₂的黏度增至15.4 mPa·s。研究了温度、压力以及剪切速率对凝胶压裂液黏度的影响。实验结果表明，随着温度升高黏度总体降低，但中间出现一个短暂升高阶段；随着压力上升压裂液黏度增加；随着剪切速率的增加压裂液黏度下降，属于一种典型的剪切变稀的假塑性流体。F4EU超临界CO₂凝胶压裂液的平均伤害率为1.39%，远远小于常规压裂液对岩芯的伤害率。实验表明，F4EU超临界CO₂凝胶压裂液在页岩气压裂开采中具有良好的应用前景。     

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.     

Recent advances and challenges in materials for 3D bioprinting

3D bioprinting has been developed as a promising technology in a wide variety of biomedical applications. However, the successful implementation of bioprinting is still heavily restricted by the relatively narrow range of printable and biocompatible materials. Recently, many comprehensive reviews of the main bioprinting methods, commonly used bioprinting materials and the trending bioprinting applications have been carried out. In this review, we focused on the trends in the development of materials for 3D bioprinting. The significance and recent advances of ECM-based materials, multi-material and stimuli-responsive materials for bioprinting were summarized successively. Moreover, the challenges in current studies and future perspectives of materials for 3D bioprinting were discussed.     

基于交通信号灯信息的混合动力汽车节能预测控制方法

针对传统混合动力汽车控制方法不考虑已知道路交通信号灯信息对车辆能量管理影响的问题,提出了基于交通信号灯信息的混合动力汽车节能预测控制智能优化策略。通过建立混合动力汽车系统的简化模型,并采用连续广义最小残量方法求解模型预测控制问题。运用MATLAB/Simulink进行仿真,仿真结果验证了交通信号灯信息模型的有效性,以及所设计的模型预测控制算法大幅度提高混合动力汽车的燃油经济性的能力和实时控制性能。研究结果表明所提出的控制策略可以实现车辆行驶轨迹的优化控制,显著提高了车辆的燃油经济性,并满足系统的实时最优控制要求。     

一个基于Exchange的企业办公自动化系统的实现

介绍了一个基于Exchange的企业办公自动化系统的实现，其中包括系统目标、开发平台和工具的选择、系统的功能模块、关键技术以及系统的安全机制。