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Study of the Relationship Between New Ionic Interaction Parameters and Salt Solubility in Electrolyte Solutions Based on Molecular Dynamics Simulation

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Journal of Ocean University of China 2024年第2期23卷 467-476页

作者： SUN Wenting HU Yangdong zheng jiahuan SUN Qichao Chen Xia DING Jiakun ZHANG Weitao WU Lianying College of Chemistry and Chemical Engineering Ocean University of ChinaQingdao 266100China Institute of Chemical Engineering Guangdong Academy of Science Guangzhou 510665China

Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral *** this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is *** analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of *** the same salt,a positive correlation was found between CTR and the molar ratio of salt and *** type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,*** solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions.

关键词： molecular dynamics simulation interaction distance interaction time rate electrolyte aqueous solutions solubility

The novel male meiosis recombination regulator coordinates the progression of meiosis prophase Ⅰ

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Journal of Genetics and Genomics 2020年第8期47卷 449-464页

作者： Miao Li Haiwei Feng Zexiong Lin jiahuan zheng Dongteng Liu Rui Guo Junshi Li Raymond H.W.Li Ernest H.Y.Ng Michael S.Y.Huen P.Jeremy Wang William S.B.Yeung Kui Liu Shenzhen Key Laboratory of Fertility Regulation Center of Assisted Reproduction and EmbryologyThe University of Hong Kong-Shenzhen HospitalShenzhen518000China Department of Obstetrics and Gynecology Li Ka Shing Faculty of MedicineThe University of Hong KongHong Kong999077China Department of Biomedical Sciences University of Pennsylvania School of Veterinary MedicinePhiladelphiaPA19104USA School of Biomedical Sciences Li Ka Shing Faculty of MedicineThe University of Hong KongHong Kong999077China

Meiosis is a specialized cell division for producing haploid gametes in sexually reproducing *** this study,we have independently identified a novel meiosis protein male meiosis recombination regulator(MAMERR)/4930432 K21 Rik and showed that it is indispensable for meiosis prophase I progression in male *** super-resolution structured illumination microscopy,we found that MAMERR functions at the same double-strand breaks as the replication protein A and meiosis-specific with OB domains/spermatogenesis associated 22 *** generated a Mamerr-deficient mouse model by deleting exons 3 e6 and found that most of Mamerrà/àspermatocytes were arrested at pachynema and failed to progress to diplonema,although they exhibited almost intact synapsis and progression to the pachytene stage along with XY body *** mechanistic studies revealed that the recruitment of DMC1/RAD51 and heat shock factor 2 ebinding protein in Mamerrà/àspermatocytes was only mildly impaired with a partial reduction in double-strand break repair,whereas a substantial reduction in ubiquitination on the autosomal axes and on the XY body appeared as a major phenotype in Mamerrà/à*** propose that MAMERR may participate in meiotic prophase I progression by regulating the ubiquitination of key meiotic proteins on autosomes and XY chromosomes,and in the absence of MAMERR,the repressed ubiquitination of key meiotic proteins leads to pachytene arrest and cell death.

关键词： Meiosis 4930432K21Rik Recombination Ubiquitination

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基于个性化场景的5G基站节能方法

移动通信 2021年第3期45卷 91-96页

作者：郑佳欢向勇中国电信股份有限公司研究院广东广州510630

为了最大化基站的可节能空间,解决全网绿色基站的智能发现问题,通过改进Affinity Propagation聚类算法对基站日负荷曲线进行自适应聚类,并进一步挖掘分析周效应下的日潮汐现象和汐节能时段,智能化识别基站的个性化节能场景,从而周期性... 详细信息

为了最大化基站的可节能空间,解决全网绿色基站的智能发现问题,通过改进Affinity Propagation聚类算法对基站日负荷曲线进行自适应聚类,并进一步挖掘分析周效应下的日潮汐现象和汐节能时段,智能化识别基站的个性化节能场景,从而周期性地采取差异化节能策略。实验分析验证了该算法的高效性和准确性,预计节能空间可达20%以上,可应用于5G基站能耗的智能化管理,提高5G网络能效。

关键词： Affinity Propagation聚类轮廓系数周效应潮汐现象个性化节能场景 5G基站智慧节能

具有3~5μm宽带光吸收特性的超导纳米线单光子探测器设计

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激光与光电子学进展 2022年第1期59卷 90-96页

作者：赵雨辰赵博洋郑家欢原艳宁席晓莉西安理工大学自动化与信息工程学院陕西西安710048

与成熟的近红外波段设计相比,3~5μm波长范围内较低的光子能量对于超导纳米线单光子探测器(SNSPD)宽带光吸收特性设计提出了更高的要求。为此,提出了一种中红外波段SNSPD宽带光吸收特性设计方法。以加载SiO_(2)/Au反射腔的超窄纳米线结... 详细信息

与成熟的近红外波段设计相比,3~5μm波长范围内较低的光子能量对于超导纳米线单光子探测器(SNSPD)宽带光吸收特性设计提出了更高的要求。为此,提出了一种中红外波段SNSPD宽带光吸收特性设计方法。以加载SiO_(2)/Au反射腔的超窄纳米线结构SNSPD为例,在通过优化上下腔3层介质层厚度实现2个目标波长处阻抗匹配的基础上,引入介质层总厚度与谐振波长之比作为评价每个谐振波长处带宽特性的指标,更好地取得了阻抗匹配精度与带宽特性之间的平衡,从而达到了双宽带耦合谐振以拓展总体吸收带宽的目的。数值结果表明,所提SNSPD在2928~4856 nm波长范围内对电场分量平行于纳米线的入射光能够吸收至少50%。

关键词：探测器超导纳米线单光子探测器宽带光吸收中红外 3~5μm

微通道换热器不同管型条件下换热情况的数值模拟

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河南科技 2015年第10期 96-97页

作者：郑家欢高景略河南工业大学土木建筑学院

流体在管道内换热情况是提高微通道换热器效率之中极为重要的一个环节,不同管型下由于摩擦阻力、黏性耗散等因素的影响导致换热情况各不相同,找出合理的管型对微通道换热器换热情况研究有重要意义。

关键词：微通道换热器管型数值模拟

基于MOPSO的石墨烯/磁性粒子混合填充多层吸波材料优化设计

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西安理工大学学报 2021年第4期37卷 550-554页

作者：赵雨辰郑家欢刘江凡宋忠国席晓莉西安理工大学自动化与信息工程学院陕西西安710048

本文研究了基于多目标粒子群算法(MOPSO)的石墨烯/磁性粒子混合填充多层吸波材料的优化设计。首先,基于电磁场理论推导了多层吸波材料的反射系数,并定义了兼顾宽频带、宽角度和极化无关特性的吸波性能以及磁性粒子填充量这两个相互矛盾... 详细信息

本文研究了基于多目标粒子群算法(MOPSO)的石墨烯/磁性粒子混合填充多层吸波材料的优化设计。首先,基于电磁场理论推导了多层吸波材料的反射系数,并定义了兼顾宽频带、宽角度和极化无关特性的吸波性能以及磁性粒子填充量这两个相互矛盾的子目标的表达式。进而,以石墨烯纳米片(GNS)/片状羰基铁颗粒(FCI)混合填充吸波材料为例,通过MOPSO优化得到了五层吸波材料模型的最优设计。结果显示,基于MOPSO的多目标优化可以在相互矛盾的子目标之间取得较好的平衡,经过优化的多层吸波材料厚度仅为1.65 mm,总体磁性粒子填充量仅为13.3 wt%,但却可以在大约6~18 GHz的频率范围内和0°~45°的入射角范围内实现至少5 dB反射率衰减,且与入射波极化无关。

关键词：多层吸波材料石墨烯磁性粒子 MOPSO 多目标优化

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结构灵敏度分析进展

轻工机械 2016年第1期34卷 93-96,102页

作者：郑佳欢金伟娅宋亚玲浙江工业大学化工过程机械研究所浙江杭州310014

介绍了结构灵敏度分析的研究背景,分析了基于有限元法的几种常用结构灵敏度分析方法的原理和进展,包括解析法、完全有限差分法、半解析法、复变函数法和伴随变量法。根据最近几年的灵敏度研究,提出多种方法相结合的复合灵敏度分析是未... 详细信息

介绍了结构灵敏度分析的研究背景,分析了基于有限元法的几种常用结构灵敏度分析方法的原理和进展,包括解析法、完全有限差分法、半解析法、复变函数法和伴随变量法。根据最近几年的灵敏度研究,提出多种方法相结合的复合灵敏度分析是未来结构灵敏度分析的发展趋势。

关键词：计算力学灵敏度分析结构分析半解析法

Study of the Relationship Between New Ionic Interaction Parameters and Salt Solubility in Electrolyte Solutions Based on Molecular Dynamics Simulation

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Boosting the hydrogen storage performance of magnesium hydride with metal organic framework-derived Cobalt@Nickel oxide bimetallic catalyst

Journal of Ocean University of China 2024年第2期

作者： SUN Wenting HU Yangdong zheng jiahuan SUN Qichao Chen Xia DING Jiakun ZHANG Weitao WU Lianying

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Chinese Journal of Chemical Engineering 2022年第12期52卷 161-171页

作者： Yan Zhang Jiaguang zheng Zhiyu Lu Mengchen Song jiahuan He Fuying Wu Liuting Zhang School of Energy and Power Jiangsu University of Science and TechnologyZhenjiang 212003China Analysis and Testing Center Jiangsu University of Science and TechnologyZhenjiang 212003China State Key Laboratory of Silicon Materials Department of Materials Science and EngineeringZhejiang UniversityHangzhou 310027China

In this study,a MOF-derived bimetallic Co@NiO catalyst was synthesized and doped into MgH_(2)to improve the hydrogen desorption and resorption *** Co@NiO catalyst decreased the onset dehydrogenation temperature of MgH_(2)by 160℃,compared with un-doped MgH_(2).The MgH^(2+)9%(mass)Co@NiO composite released 6.6%(mass)hydrogen in 350 s at 315℃and uptook 5.4%(mass)hydrogen in500 s at 165℃,showing greatly accelerated de/rehydrogenation ***,the desorption activation energy of MgH^(2+)9%(mass)Co@NiO was decreased to(93.8±8.4)kJ·mol^(-1).Noteworthy,symbiotic Mg_(2)NiH_(4)/Mg_(2)CoH_(5)clusters were in-situ formed from bimetallic precursors and inlaid on MgH_(2)surface,which are considered as"multi-step hydrogen pumps",and provides surface pathways for hydrogen ***,the introduced Mg_(2)NiH_(4)/Mg_(2)CoH_(5)interfaces could provide numerous low energy barrier H diffusion channels,therefore accelerating the hydrogen release and *** research proposes new insights to design high-efficiency bimetallic catalyst for MgH_(2)hydrogen storage.

关键词： Hydrogen Absorption Catalyst MgH_(2) Bimetallic materials Synergistic effect