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Mg_(8)Sn_(4-x)M_(x)结构稳定性与弹性常数的第一性原理计算

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原子与分子物理学报 2024年第2期41卷 151-156页

作者：邢旭尹成斌马贝贝王远西南林业大学机械与交通学院昆明650024

利用基于密度泛函理论的CASTEP软件构建Mg_(8)Sn_(4-x)M_(x)(M=Al、Cu;x=0、1或2)晶体结构模型,采用第一性原理计算其晶格常数、结构稳定性和弹性常数,并分析不同量的M原子固溶于Mg_(2)Sn后体系的电子特性、弹性性能和本征硬度.计算结... 详细信息

利用基于密度泛函理论的CASTEP软件构建Mg_(8)Sn_(4-x)M_(x)(M=Al、Cu;x=0、1或2)晶体结构模型,采用第一性原理计算其晶格常数、结构稳定性和弹性常数,并分析不同量的M原子固溶于Mg_(2)Sn后体系的电子特性、弹性性能和本征硬度.计算结果表明,M原子能自发固溶于Mg_(2)Sn相,且所得Mg_(8)Sn_(4-x)M_(x)(x=1或2)晶体结构均可稳定存在;当2个M原子固溶于Mg_(2)Sn时,使其晶体结构由立方晶系转变为四方晶系.态密度分析表明,M原子固溶后体系原子存在明显轨道杂化现象,表现出较强的共价键,增加M原子固溶量不会改变各原子对态密度的贡献规律,但会提高该原子对电子对态密度的贡献度.弹性性能和本征硬度分析表明:Mg_(2)Sn中固溶M原子后,体系力学性能仍稳定,增加M原子固溶量,体系硬度逐渐降低,韧塑性不断提高,即M原子固溶量增加能提升体系的韧塑性.

关键词： Mg_(2)Sn 第一性原理电子结构弹性常数本征硬度

维普期刊数据库博看期刊

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方波脉冲电化学处理含酚废水

环境化学 2024年第9期43卷 2965-2977页

作者：马蓓唐晗昱卞兆勇北京师范大学水科学研究院北京100875

以绿色低耗去除酚类污染物为目标,开展方波脉冲电化学处理废水中酚类污染物的降解研究,考察方波脉冲体系(电压波形、脉冲占空比、脉冲频率等参数)对酚类污染物的去除率及比能耗的影响规律,提出最佳工艺及实验参数.结果表明,在电化学反... 详细信息

以绿色低耗去除酚类污染物为目标,开展方波脉冲电化学处理废水中酚类污染物的降解研究,考察方波脉冲体系(电压波形、脉冲占空比、脉冲频率等参数)对酚类污染物的去除率及比能耗的影响规律,提出最佳工艺及实验参数.结果表明,在电化学反应体系中,脉冲电压、电压波形和脉冲占空比对去除率、平均电流效率和比能耗的影响较为显著,而脉冲频率的影响较小.在脉冲电压4 V,占空比为50%,脉冲频率为100 Hz的最佳工艺条件下,对苯酚的去除率为62.03%,比能耗为4.84 kWh·kg-1.因此,相比于直流供电模式,方波脉冲供电模式降解苯酚废水的电能利用率更高,能耗更低,选择性更强,为电化学处理废水提供了一种绿色环保的方法.

关键词：绿色低耗方波脉冲电化学氧化占空比频率

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水解酸化+MBBR+气浮+反硝化深床滤池工艺在半地下式污水处理厂的应用

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广州化工 2024年第2期52卷 208-211页

作者：马北孔贵阳建筑勘察设计有限公司贵州贵阳550000

贵州某半地下式生活污水处理厂设计规模为10000 t/d,对现行工艺经过出水水质、技术优缺点、经济分析等方面的对比,最终采用了“水解酸化+MBBR+气浮+反硝化深床滤池”的组合工艺处理。实际工程结果表明,“水解酸化+MBBR+气浮+反硝化深床... 详细信息

贵州某半地下式生活污水处理厂设计规模为10000 t/d,对现行工艺经过出水水质、技术优缺点、经济分析等方面的对比,最终采用了“水解酸化+MBBR+气浮+反硝化深床滤池”的组合工艺处理。实际工程结果表明,“水解酸化+MBBR+气浮+反硝化深床滤池”的组合工艺能够稳定实现COD,TN、氨氮、TP、SS的去除,污水厂排放水质比《城镇污水处理厂污染物排放标准》(GB18918-2002)中一级A的排放标准更佳,且污水处理厂设备运行稳定,维护简便。工程总投资额为17624.14万元,污水处理厂的运行总成本1.03元/吨水,本工程设计的成功运行为城镇中半地下式污水处理厂的设计运行提供了实际指导经验。

关键词：半地下式 MBBR 水解酸化气浮反硝化深床滤池

APO-Based Parallel Algorithm of Channel Allocation for Cognitive Networks

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China Communications 2016年第6期13卷 100-109页

作者： Ming Zhong Hailin Zhang bei ma State Key Laboratory of Integrated Service Networks Xidian University

This article investigates channel allocation for cognitive networks, which is difficult to obtain the optimal allocation distribution. We first study interferences between nodes in cognitive networks and establish the channel allocation model with interference constraints. Then we focus on the use of evolutionary algorithms to solve the optimal allocation distribution. We further consider that the search time can be reduced by means of parallel computing, and then a parallel algorithm based APO is proposed. In contrast with the existing algorithms, we decompose the allocation vector into a number of sub-vectors and search for optimal allocation distribution of sub-vector in parallel. In order to speed up converged rate and improve converged value, some typical operations of evolutionary algorithms are modified by two novel operators. Finally, simulation results show that the proposed algorithm drastically outperform other optimal solutions in term of the network utilization.

关键词： CRNs channel allocation parallel computing APO PSO

Joint Power Allocation and Mode Selection for D2D Communications with Imperfect CSI

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China Communications 2015年第7期12卷 73-81页

作者： ma bei ZHANG Hailin ZHANG Zhaowei Broadband Wireless Communications Laboratory Information Science InstituteState Key Laboratory of Integrated Service NetworksXidian University

Device-to-device(D2D) communications can be underlaid with a cellular infrastructure to increase resource utilization, improve user throughput and save battery energy. In such networks, power allocation and mode selection are crucial problems. To address the joint optimization of power and mode selection under imperfect CSI, we propose an optimal, energy-aware joint power allocation and mode selection(JPAMS) scheme. First, we derive the closed-form solution for the power minimization for both D2 D and cellular links while satisfying different quality of service(Qo S) constraints. Second, we address the mode selection problem in presence of imperfect CSI, based on the derived power allocation. Moreover, the theoretical analysis and simulation results are presented to evaluate the proposed scheme for the D2 D communications.

关键词： power allocation mode selection D2D communications imperfect CSI energy-aware

桑菊饮治疗呼吸道病毒感染作用机制的生物信息学探讨与免疫分析

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云南民族大学学报（自然科学版） 2024年第3期33卷 294-306页

作者：祁钰涵马晓北中国中医科学院中医基础理论研究所北京100700 中国中医科学院研究生院北京100700

通过生物信息学、网络药理学、免疫浸润分析及分子对接方法从分子层面探讨桑菊饮治疗呼吸道病毒感染的作用机制.通过TCMSP数据库获取桑菊饮所含化学成分及靶点.通过GEO数据库搜索并下载上呼吸道感染相关芯片并提取差异mRNA,整理矩阵后运... 详细信息

通过生物信息学、网络药理学、免疫浸润分析及分子对接方法从分子层面探讨桑菊饮治疗呼吸道病毒感染的作用机制.通过TCMSP数据库获取桑菊饮所含化学成分及靶点.通过GEO数据库搜索并下载上呼吸道感染相关芯片并提取差异mRNA,整理矩阵后运用R语言CIBER⁃SORTx包进行免疫浸润分析;limma包分析得到关键差异mRNA作为疾病靶点,与药物靶点相互映射后得到治疗靶点;STRING 11.5数据库进行PPI分析,借助R语言clusterProfiler包进行GO和KEGG富集分析(pmaPK14为关键靶点,GO分析及KEGG通路富集提示,桑菊饮的作用机制主要涉及对脂多糖的反应、巨噬细胞源性泡沫细胞分化、白细胞趋化性、maPK活性的激活等生物过程,以及AGE-RAGE、Toll样受体、EB病毒感染、IL-17、HIF-1、甲型流感等信号通路.分子对接结果表明组方中主要活性成分与关键靶点具有较为稳定的结合活性.桑菊饮可能是通过柚皮素、木犀草素、槲皮素、花生四烯酸等活性成分作用于IL1β、maPK14等靶点来改善细胞免疫状态、炎症反应及抗病毒感染等发挥作用,是多成分、多蛋白靶点、多通路过程.

关键词：呼吸道病毒感染桑菊饮免疫浸润分析生物信息学网络药理学分子对接

Generalized Profile LSE in Varying-Coefficient Partially Linear Models with Measurement Errors

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Acta mathematicae Applicatae Sinica 2013年第3期29卷 477-490页

作者： Yun-bei ma Jin-hong YOU Yong ZHOU School of Statistics Southwestern University of Finance and Economics School of Statistics and management Shanghai University of Finance and Economics Academy of mathematics and System Sciences Chinese Academy of Sciences

This paper is concerned with the estimating problem of a semiparametric varying-coefficient partially linear errors-in-variables model Yi=Xτiβ＋Zτiα（Ui）＋εi , Wi=Xi＋ξi,i=1, · · · , n. Due to measurement errors, the usual profile least square estimator of the parametric component, local polynomial estimator of the nonparametric component and profile least squares based estimator of the error variance are biased and inconsistent. By taking the measurement errors into account we propose a generalized profile least squares estimator for the parametric component and show it is consistent and asymptotically normal. Correspondingly, the consistent estimation of the nonparametric component and error variance are proposed as well. These results may be used to make asymptotically valid statistical inferences. Some simulation studies are conducted to illustrate the finite sample performance of these proposed estimations.

关键词： Semiparametric modeling varying-coefficient measurement error local polynomial profile least squares asymptotic normality

Control of Hydrogen During ESR Process

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Journal of Iron and Steel Research International 2013年第12期20卷 7-11页

作者： YAN Chen LI Ying ma bei-yue School of materials and Metallurgy Northeastern University

Experimental and numerical studies were carried out for the behavior of hydrogen in a three-phase electro- slag furnace using double electrode series technique during electroslag remelting （ESR） process. The effect of water vapor content of furnace gas on the hydrogen content of ingots was studied through the ＂gas-slag-metal＂ osmosis ex- periment. Based on the experimental results, a mathematical model was set up for the behavior of hydrogen pick-up during ESR process. Then the flow of furnace gas during ESR process was studied through a commercial code FLU- ENT, and the relationship between the water vapor content of furnace gas and argon gas flux in practical production was derived. Finally, the desired reasonable argon gas flow for controlling the hydrogen content of ingots below 2 × 10-6 in practice was obtained.

关键词： electroslag remelting hydrogen argon gas flux air mole fraction

Regulation of the intermittent release of giant unilamellar vesicles under osmotic pressure

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Chinese Physics B 2022年第9期31卷 644-651页

作者： Qi Zhou Ping Wang bei-bei ma Zhong-Ying Jiang Tao Zhu Key Laboratory of Micro-Nano Electronic Sensing Technology and Bionic Devices Yili Normal UniversityYining 835000China School of Network Security and Information Technology Yili Normal UniversityYining 835000China National Laboratory of Solid State Microstructures Department of PhysicsNanjing UniversityNanjing 210093China

Osmotic pressure can break the fluid balance between intracellular and extracellular *** hypo-osmotic so-lution,water molecules,which transfer into the cell and burst,are driven by the concentration difference of solute across the semi-permeable *** complicated dynamic processes of intermittent bursts have been previously ***,the underlying physical mechanism has yet to be thoroughly explored and ***,the intermittent re-lease of inclusion in giant unilamellar vesicles was investigated quantitatively,applying the combination of experimental and theoretical methods in the hypo-osmotic ***,we adopted a highly sensitive electron multiplying charge-coupled device to acquire intermittent dynamic ***,the component of the vesicle phospholipids af-fected the stretch velocity,and the prepared solution of vesicles adjusted the release ***,we chose equations and numerical simulations to quantify the dynamic process in phases and explored the influences of physical parameters such as bilayer permeability and solution viscosity on the *** was concluded that the time taken to achieve the balance of giant unilamellar vesicles was highly dependent on the molecular structure of the *** pore lifetime was strongly related to the internal solution environment of giant unilamellar *** vesicles prepared in viscous solution were able to visualize long-lived ***,the line tension was measured quantitatively by the release velocity of inclusion,which was of the same order of magnitude as the theoretical *** all,the experimental values well matched the theoretical *** investigation clarified the physical regulatory mechanism of intermittent pore forma-tion and inclusion release,which provides an important reference for the development of novel technologies such as gene therapy based on transmembrane transport as well as controlled drug delivery based on lipo

关键词： osmotic pressure difference membrane tension pore line tension