铝电解槽大修渣场污染防范措施

针对铝电解槽大修渣淋溶液具有毒性 ,处理不慎将污染地下水环境的情况 ,以遵义电解铝厂的电解渣场设计为例 ,指出只要对电解渣场做好防渗处理 ,即可解决电解渣淋溶液对地下水环境的污染问题。     

Cu—Zn—Al合金贝氏体的初生态及三维台阶

利用透射电镜研究了Cu—25.9Zn—3.75Al(wt-%)合金的贝氏体相变机制结果表明,贝氏体α_1在形成初期内部没有层错,早期典型形态为一侧比较平直,另一侧则存在三维巨型台阶,台阶宽面与贝氏体惯习面平行,其高度和间距分别约为10—40和50—230nm,台阶是可动的,贝氏体通过台阶的移动而增厚     

L12型Al3Ti合金室温变形超位错的分解及计算机图像模拟

利用透射电子显微镜和计算机图像模拟技术研究了ＬＩ２型Ａｌ３Ｔｉ合金室温变形的位错核心结构，结果表明：α（１１０）超位错在｛１１１｝面上分解成两个α／３｛１１２｝型超偏位错，其间为超点阵内禀层错。     

粘结相相变机制的研究

为了进一步了解粘结相在硬质合金中松弛应力、协调两相应变状态的作用,本文用透射电镜对Co基合金在不同状态下的微观结构进行了观察研究。结果表明:⒈Co相中常见的结构缺陷主要是层错和孪晶。烧结态下以层错为主,淬火态及回火态则两者并存,且孪晶数量大大增加。⒉冷却时粘结相中发生的马氏体型相变是通过层错形核机制由面心立方α-Co逐渐转变成密排六方ε-Co的,两者的取向关系是:(111)α-Co//(0001)ε-Co,[110]α-Co//[2110]ε-Co。⒊孪晶界阻碍了层错的扩展,不利于马氏体相变的进行,增加了α-Co的稳定性。⒋粗略推断,导致ε-Co开始生成的临界层错密度约为每隔75层原子面插入一层层错面,临界层错间距约为15纳米。     

30万吨横切生产线堆垛机控制程序优化

随着钢材市场的竞争日趋激烈,对产品质量的要求越来越高,首钢京唐热轧板厂横切30万吨生产线堆垛机的控制精度已不能满足目前的质量要求。为此对其自动化控制程序进行了优化、打包。经过自动控制程序的优化后,横切机组堆垛机自动控制程序及堆垛机运行正常,设备冲击缺陷和产品缺陷同时得到了控制,在提高生产率和产品质量的同时,获得了良好的经济效益。     

InAs基范德华异质结界面电荷转移特性第一性原理计算的研究进展

由低维InAs材料和其他二维层状材料堆叠而成的垂直范德华异质结构在纳米电子、光电子和量子信息等新兴领域中应用广泛。探索跨结界面的电荷转移机制对于全面理解该类器件的非凡特性至关重要。第一性原理计算在揭示界面电荷转移特性与各种能量稳定型InAs基范德华异质结的电、光、磁等原理物理特性和器件性能变化之间的内在关系方面发挥着不可比拟的作用。文中梳理、总结和探讨了近年来InAs基范德华异质结间界面电荷转移特性的理论研究工作与潜在的功能应用,提出在理论方法和计算精度方面大力发展第一性原理计算的几个途径,为更好地开展InAs基范德华异质结的基础科学研究和应用器件设计提供可借鉴的量化研究基础。     

Fine-Tuning Alkyl Chains on Quinoxaline Nonfullerene Acceptors Enables High-Efficiency Ternary Organic Solar Cells with Optimizing Molecular Stacking and Reducing Energy Loss

Material design of guest acceptor is always a big challenge for improving the efficiency of ternary organic solar cells (OSCs). Here, a pair of isomeric nonfullerene acceptors based on quinoxaline core, Qx–p-C₇H₈O and Qx–m-C₇H₈O, is designed and synthesized. By moving the alkoxy chain attached on side phenyl from meta-position to para-position, both π–π stacking distance and crystallinity are enhanced simultaneously. They obtain the uplifted lowest unoccupied molecular orbital level. Compared to Qx–m-C₇H₈O, Qx–p-C₇H₈O exhibits wider absorption spectrum and higher extinction coefficient. Using D18-Cl:N3 as host materials, the addition of guest acceptor Qx–p-C₇H₈O significantly improves the power conversion efficiency (PCE) from 17.61% to 18.49% because of higher open-circuit voltage (0.875 V) and short-circuit current density (27.85 mA cm⁻²). This can be attributed to the faster exciton dissociation, more balanced carrier mobility, fine fiber morphology, and lower energy loss in the ternary devices. However, Qx–m-C₇H₈O-based ternary device achieves relatively low PCE of 17.17% because this device shows extremely low electron mobility. The results indicate that molecular stacking, film morphology, etc., can be effectively modulated by fine-tuning the side chains of guest materials, which may be an effective design rule for further improving the PCE of OSCs.     

In Situ Deformation Topology of COFs with Shortened Channels and High Redox Properties for Li–S Batteries

Covalent organic frameworks (COFs) with various topologies are typically synthesized by selecting and designing connecting units with rich shapes. However, this process is time-consuming and labour-intensive. Besides, the tight stacking of COFs layers greatly restrict their structural advantages. It is crucial to effectively exploit the high porosity and active sites of COFs by topological design. Herein, for the first time, inducing in situ topological changes in sub-chemometric COFs by adding graphene oxide (GO) without replacing the monomer, is proposed. Surprisingly, GO can slow down the intermolecular stacking and induce rearrangement of COFs nanosheets. The channels of D- [4+3] COFs are significantly altered while the stacking of periodically expanded framework is weakened. This not only maximizes the exposure of pore area and polar groups, but also shortens the channels and increases the redox activity, which enables high loading while enhancing host-guest interactions. This topological transformation to exhibit the structural features of COFs for efficient application is an innovative molecular design strategy.     

BS-SC Model: A Novel Method for Predicting Child Abuse Using Borderline-SMOTE Enabled Stacking Classifier

For a long time, legal entities have developed and used crime prediction methodologies. The techniques are frequently updated based on crime evaluations and responses from scientific communities. There is a need to develop type-based crime prediction methodologies that can be used to address issues at the subgroup level. Child maltreatment is not adequately addressed because children are voiceless. As a result, the possibility of developing a model for predicting child abuse was investigated in this study. Various exploratory analysis methods were used to examine the city of Chicago’s child abuse events. The data set was balanced using the Borderline-SMOTE technique, and then a stacking classifier was employed to ensemble multiple algorithms to predict various types of child abuse. The proposed approach successfully predicted crime types with 93% of accuracy, precision, recall, and F1-Score. The AUC value of the same was 0.989. However, when compared to the Extra Trees model (17.55), which is the second best, the proposed model’s execution time was significantly longer (476.63). We discovered that Machine Learning methods effectively evaluate the demographic and spatial-temporal characteristics of the crimes and predict the occurrences of various subtypes of child abuse. The results indicated that the proposed Borderline-SMOTE enabled Stacking Classifier model (BS-SC Model) would be effective in the real-time child abuse prediction and prevention process.     

形变温度对Fe-20Mn-3Cu-1.3C TWIP钢拉伸变形行为的影响EI北大核心CSCD

运用温控拉伸实验,分析了在-100~200℃范围内变形时形变温度对Fe-20Mn-3Cu-1.3C钢力学性能和形变机理的影响。观察分析了拉伸试样的显微组织,并利用热力学经典模型,估算了温度对孪晶诱发塑性(TWIP)钢层错能的影响。结果表明:随着形变温度的升高,TWIP钢的层错能显著增加,基体中形变孪晶的体积分数逐渐减少,抗拉强度和屈服强度呈下降趋势,而伸长率先升高后降低,塑性变形机制也由孪生为主逐渐转变为以滑移为主。层错能的拟合公式为γSFE=26.73+9.38×10^(-2) T+4.22×10^(-4 )T2-4.47×10^(-7) T^3,与滑移相比,孪生可获得更高的应变硬化率,从而使TWIP钢获得高强度和高塑性。