On the Accuracy of the Complete Basis Set Extrapolation for Anionic Systems: A Case Study of the Electron Affinity of Methane

Recent experimental evidence suggests again the existence of the metastable methane anion in plasma swarms. In order to test the reliability of the complete basis set (CBS) extrapolation scheme with augmented correlation-consistent basis sets for anionic molecules, we study the evolution of the electron affinity of methane with benchmark ab initio calculations with aug-cc basis sets up to aug-cc-pV6Z + diffuse. Geometry optimizations and vibrational analysis were done at the MP2 level. The electron affinity (EA) was calculated at the MP2 and CCSD(T) levels with and without frozen core and including the extrapolations to the CBS limit. Using the aug-cc-pVnZ basis sets it is found that two non-decreasing CCSD(T) CBS limits exist for the EA (0.29 and 0.53 eV) obtained with the n = 3, 4, 5 and n = 4, 5, 6 series, respectively. A new scheme is proposed which can be generalized for very accurate quantum chemical description of molecular anions: the standard aug-cc-pVnZ basis sets can be supplemented with extra-diffuse orbitals using a simple even-tempered scheme. This yields a reliable CBS extrapolation method to develop a (discrete approximation of a) continuum anionic state near ionization, viz., one that closely matches the energy of the corresponding neutral state. These results show that CH4 has no stable anions of 2A1 symmetry, implying that plasma swarms with anionic methane consist of metastable rather than stable methane anions.

Significance of“Printing English”in the Curriculum Setting of Business English Majors(Publishing Direction)

With the development of the global economy and the quick growth of international exchanges,Business English major plays an increasingly important role in higher education.The training goal of Business English major(publishing direction)has gradually shifted from the improvement of studentslanguage abilities to the cultivation of more specialized business knowledge and publishing skills.As an important course for Business English majors(publishing direction),Printing English is of great significance for cultivating studentsprofessional quality,professional competitiveness,career development,and practical ability.From the perspective of curriculum setting,it is necessary to re-understand the importance of Printing English in the curriculum setting of Business English major(publishing direction),and put forward corresponding teaching methods and strategies.

The Effectiveness of Self-regulated Learning Strategies on Chinese College Students' English Learning

The purpose of this paper is to argue the effectiveness of self-regulated learning in English education in Chinese college classroom instruction. A study is given to show whether the introduction of self-regulated learning can help improve Chinese college students' English learning, and help them perform better in the National English test-CET-4 (College English Test Level-4,).

Deducing Complete Selection Rule Set for Driver Nodes to Guarantee Network’s Structural Controllability

Structural controllability is critical for operating and controlling large-scale complex networks. In real applications, for a given network, it is always desirable to have more selections for driver nodes which make the network structurally controllable. Different from the works in complex network field where structural controllability is often used to explore the emergence properties of complex networks at a macro level,in this paper, we investigate it for control design purpose at the application level and focus on describing and obtaining the solution space for all selections of driver nodes to guarantee structural controllability. In accord with practical applications,we define the complete selection rule set as the solution space which is composed of a series of selection rules expressed by intuitive algebraic forms. It explicitly indicates which nodes must be controlled and how many nodes need to be controlled in a node set and thus is particularly helpful for freely selecting driver nodes. Based on two algebraic criteria of structural controllability, we separately develop an input-connectivity algorithm and a relevancy algorithm to deduce selection rules for driver nodes. In order to reduce the computational complexity,we propose a pretreatment algorithm to reduce the scale of network's structural matrix efficiently, and a rearrangement algorithm to partition the matrix into several smaller ones. A general procedure is proposed to get the complete selection rule set for driver nodes which guarantee network's structural controllability. Simulation tests with efficiency analysis of the proposed algorithms are given and the result of applying the proposed procedure to some real networks is also shown, and these all indicate the validity of the proposed procedure.

Research on the Influence Factors and Coordinated Control Strategies between Unit and Grid for Isolated Power System

As the existing coordinated control strategies between grid and unit have limitations in isolated power system, this paper introduces new coordinated control strategies which can improve the stability of isolated system operation. This paper analyzes the power grid side and unit side influence factors on the isolated power system. The dynamic models which are suitable for islanding operation are applied to simulate and analyze the stability and dynamic characteristics of the isolated power system under the conditions of different load disturbances and governor parameters. With considering the differences of frequency characteristics between the interconnected and isolated power system, the adjusting and optimization methods of under frequency load shedding are proposed to meet the frequency stability requirements simultaneously in the two cases. Not only proper control strategies of the power plant but the settings of their parameters are suggested to improve the operation stability of the isolated power system. To confirm the correctness and effectiveness of the method mentioned above, the isolated system operation test was conducted under the real power system condition, and the results show that the proposed coordinated control strategies can greatly improve stability of the isolated power system.

A New Method to Generate the Complete Set of Unique Signals for Application in High Consequence System

This paper proposed a new method to generate the complete sets of unique signals.It contains sequences comparing,improved exhaustive searches and ranking method.Characters of this new method are complete set;higher effective;independent of certain mathematical constraints.And also some 24 bi-valued events sets generated by this method were discussed and these set are now used in our high consequence system.

考虑AGV运输和机器转速的作业车间绿色调度研究

在车间实际生产中,机器在加工状态和空载状态下都需要消耗能量,且机器在不同转速下的能耗也不同。此外,随着自动导引车(AGV)在车间的广泛应用,其能耗也不可忽略,因此对考虑AGV和机器转速的作业车间绿色调度问题进行研究具有重要意义。完工时间不仅被认为是表示车间生产效率的指标,而且在一定程度上意味着机器空载能耗的减少、机器利用率的提高。为此,对考虑AGV运输和机器转速的作业车间完工时间和能耗优化问题进行了研究。首先,对作业车间机器的能耗、AGV能耗进行了分析,探讨了AGV、工件和机器之间的工艺约束,建立了考虑AGV运输和机器转速的作业车间绿色调度模型;然后,采用两阶段优化的方式分别对完工时间和车间总能耗进行了优化,在第一阶段,机器以最高转速进行了加工,采用改进麻雀搜索算法对其最大完工时间进行了优化;在第二阶段,在保证第一阶段优化得到的完工时间最小值不变的前提下,提出了一种间隙档位调整策略,通过降低部分工序的机器转速来降低车间能源消耗,实现对车间总能耗的优化;最后,采用标准用例对算法进行了仿真实验。研究结果表明:在第一阶段采用改进麻雀搜索算法,提高了种群质量,加快了算法的收敛速度,算法具有较强的跳出局部最优能力;第二阶段在保证完工时间的基础上,采取间隙档位调整策略来降低能耗,通过10个用例测试表明能耗可减少1.13%~5.18%。该结果验证了考虑AGV和机器转速绿色调度模型的正确性以及改进麻雀算法的有效性。

DESIGN AND RESEARCH OF THE INTERNAL CODE FOR THE COMPLETE CHINESE CHARACTERS SET

This paper defines the complete Chinese characters set and expounds the necessity of the design of the internal code for the set.Then,article offers two kinds of internal codes(the CNCC code and TTB code) with their definitions and their performances Finally,the paper discusses the techniques of implementing these eodes,including the trandsforming system kernel,Chinese-English compatible sceen-display and screen-deiting.

Managing Populations with Unimodal Dynamics

In this work, we analyzed the impact of interventions on populations which exhibit unimodal dynamics. The six landmarks that characterize the “shape” of the unimodal reproduction curve f ( x ) of the difference equation, X n+1 = f ( X n )?, are defined and used in order to examine and determine the behavior of dynamics of populations. By using the Li-Yorke criterion for determination of chaos we propose a qualitative intervention rule that can be applied without any explicit population equation. This proposed strategy for intervention brings out many interesting behaviors in population dynamics. A qualitative decision rule can be applied with a straight edge without any population equation and therefore offers a robust strategy for the management of populations.

A complete set of procedure for determination of multiresidue of pesticides in vegetables

A complete set of procedure for determination of multiresidue of pesticides in vegetables was presented in this paper.The complete set of procedure included three steps:bioassay,cholinesterase inhibition and GLC analysis.The samples could be identified to be contaminated with pesticides if 5% of house flies was knocked down in 50 tested house flies. Those samples contaminated with pesticides needed to be detected by AChE inhibition method.The qualitative and quantitative analyses were carried out by GLC.Recoveries ranged from 83.7% in Chinese cabbages to 105.6% in tomatoes for pyrethroids,and 84.0% in tomatoes to 102.7% in sweetbell redpeppes for organophosphorus compounds.Coefficients of variations ranged from 0.59% to organophosphorus compounds.Coefficients of variations ranged from 0.59% to 7.87% for pyrethroids. and 0.33% to 9.88% for organophosphorus compounds with vegetables. The complete set of procedure has been used successfully to analyze 7000 samples collected in Beijing. About 1% of the samples had a pesticide content exceeding the MRL.

Solving the independent set problem by sticker based DNA computers

In this paper, the sticker based DNA computing was used for solving the independent set problem. At first, solution space was constructed by using appropriate DNA memory complexes. We defined a new operation called “divide” and applied it in construction of solution space. Then, by application of a sticker based parallel algorithm using biological operations, independent set problem was resolved in polynomial time.

Definability and Textural Rough Set Algebras

In this paper,a counterpart of definability is studied in texture spaces.The concept of textural complete field is defined and the relations with textural definable sets are investigated.If a texture is discrete,then textural definability coincides with definability.Using this fact,we obtain some basic results for definability in rough set algebras.Further,we discuss on definability for fuzzy rough sets considering textural fuzzy direlations.

Applying Surface-Based DNA Computing for Solving the Dominating Set Problem

The surface-based DNA computing is one of the methods of DNA computing which uses DNA strands immobilized on a solid surface. In this paper, we applied surface-based DNA computing for solving the dominating set problem. At first step, surface-based DNA solution space was constructed by using appropriate DNA strands. Then, by application of a DNA parallel algorithm, dominating set problem was resolved in polynomial time.

pp1-空间、wpp1-空间、meta-Lindoff空间的映射性质

对ppl空间、wppl空间、metaLindelf空间的映射性质进行了探讨,证明了ppl空间、wppl空间、metaLindelf空间被可数对一开映射保持。

Accurate equilibrium inversion barrier of ammonia by extrapolation to the one-electron basis set limit

A scheme based on treating uniform singlet-pair and triplet-pair interactions is suggested to extrapolate electron correlation energy of ammonia, calculated at two basis-set levels of ab initio theory in the infinite one-electron basis-set limit. The dual-level method is tested on the extrapolation of the full correlation in coupled-cluster singles and doubles and in the case also a noniterative perturbative correction for connected triple energies for the C3v and D3h structures of ammonia, with correlation-consistent basis sets of the type cc-pVXZ （X = D, T, Q, 5, 6） and aug-cc-pVXZ （X = D, T, Q, 5）. For testing and comparison purposes, the energies reported by Klopper [J. Comput. Chem. 22 1306 （2001）] have been taken. From a corresponding extrapolation of CCSD（T）/AVXZ energies for X = 4, 5, we obtain total inversion barriers of 1833.87 cm-1/1832.33 cm^-1 for the two/three-parameter extrapolation rules, which are in good agreement with other theoretical extrapolation and empirical values in the literature.

农村大学生返乡意愿影响因素及提升路径研究——基于模糊集定性比较分析(fsQCA)

大学生作为人才振兴的重要基础,其返乡意愿的培育是乡村振兴战略顺利实施的重要因素之一。通过模糊集定性比较分析(fsQCA)对问卷数据进行处理,分析个人因素、家庭因素、返乡政策、返乡环境和学校因素这5个影响因素对大学生返乡意愿具有混合效应。研究结果发现了提升大学生返乡意愿的3组构型,其中返乡环境、返乡政策和学校因素对大学生返乡意愿影响最为显著。因此提出了优化返乡政策、完善公共基础设施、树立正确的就业观念和校企结合推进“产学研”一体化建设的建议,以期为提升大学生返乡意愿提供借鉴。

基于WPT-CEEMDAN-SVD的齿轮箱故障诊断

针对在含噪声情况下难以精确地进行齿轮箱故障诊断的问题,将采集到的原始信号进行小波包分解,根据故障齿轮的啮合频率选取合适的小波包对信号进行重构,得到初步降噪信号;利用CEEMDAN对初步降噪信号进行分解,绘制各IMF分量的相关系数与峰度变化曲线图并选择相关系数较大的分量进行重构;通过奇异值分解对信号进一步降噪,并对最终信号频谱图对比分析,判断故障部位及类型。结果表明:该方法能根据实际需求有效提取到特定频率段内的特征频率谱线,优于直接对信号使用时频分析进行处理的结果。

基于CEEMDAN-VMD融合特征和SO-SVM的风机轴承故障诊断

由于风机轴承易发生故障且振动信号分析对于故障诊断极其有效,提出了基于自适应噪声完备集合经验模态分解(Complete Ensemble EmpiricalMode Decomposition with Adaptive Noise,CEEMDAN)和变分模态分解(Variational Modal Decomposition,VMD)相结合的信号处理方法。首先,使用CEEMDAN将采集到的振动信号分解成若干本征模态函数(Intrinsic Mode Function,IMF)分量,并使用能量加权合成峭度指标筛选故障特征明显的IMF分量,进行信号重构;之后,利用VMD将新的信号进行再分解,将VMD分解后每个IMF的能量比与基于包络熵和包络谱峭度组合的复合指标筛选出的最优IMF分量构建能量熵、样本熵、近似熵进行特征融合;最后,将融合特征矩阵输入到蛇优化算法(SO)优化支持向量机(SVM)进行识别和分类,实现多故障模式识别。通过仿真实验表明:此方法对于检测轴承十种劣化状态,诊断正确率达到98%。为风机轴承故障诊断提供了一种新的思路。

基于CEEMDAN-VMD-SSA-LSTM的门诊量预测模型

医院门诊量本质上是一种具有潜在规律的时间序列,通过对门诊量进行有效分析和预测,可以更加科学、合理地配置医疗资源。针对门诊量波动幅度较大的时间序列预测问题,提出CEEMDAN-VMD-SSA-LSTM模型。通过完全自适应噪声完备集合经验模态分解(CEEMDAN)和变分模态分解(VMD)对数据进行两次经验模态分解,提高门诊量数据集的准确性和稳定性。采用在时序问题处理上具有良好性能的长短期记忆(LSTM)神经网络,并通过寻优能力强、稳定性好的麻雀搜索算法(SSA)对LSTM网络超参数进行优化,得到预测模型。通过比较实验,提出方法可以更加精准地对门诊量进行预测和分析,为医院更好地运营管理提供了重要依据和决策支持。

工业化建造AIDC国际标准及成套技术研究与应用

针对工业化建造场景下自动识别与数据采集(AIDC)技术产业应用存在的碎片化、标准化与规模化程度不高等问题,通过“应用框架和成套技术研发、国际标准研制与培育、国内外典型示范”三者协同联动,给出工业化建造AIDC产业数字化技术与国际标准迭代完善的研究思路;阐述工业化建造AIDC工程应用框架、成套技术、国际标准及应用实践,助力提升“中国建造”国际竞争力、推动构建双循环发展新格局和全球建筑业数字化转型。