AIMD

作品数:53被引量:94H指数:5
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Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO_(3)-integrated CO_(2)reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst
《Journal of Energy Chemistry》2025年第1期273-285,共13页Tianhang Zhou Chen Shen Zhenghao Wu Xingying Lan Yi Xiao 
National Natural Science Foundation of China(U22B20149,22308376);Outstanding Young Scholars Foundation of China University of Petroleum(Beijing)(2462023BJRC015);Foundation of United Institute for Carbon Neutrality(CNIF20230209)。
Dual atomic catalysts(DAC),particularly copper(Cu_(2))-based nitrogen(N)doped graphene,show great potential to effectively convert CO_(2)and nitrate(NO_(3)-)into important industrial chemicals such as ethylene,glycol,...
关键词:pH-dependent micro-environments C-N coupling N-integrated CO_(2)RR Dual Cu-based nitrogen carbon catalysts Explicit solvation model lon stabilizer AIMD 
The anodic dissolution kinetics of Mg alloys in water based on ab initio molecular dynamics simulations
《Materials Genome Engineering Advances》2024年第2期83-91,共9页Jieqiong Yan Xinchen Xu Gaoning Shi Yaowei Wang Chaohong Guan Yuyang Chen Yao Yang Tao Ying Hong Zhu Qingli Tang Xiaoqin Zeng 
supported by the National Key Research and Development Program of China(Nos.2020YFB1505901,2021YFB3501002);the National Natural Science Foundation of China(Grant No.22106103,General Program No.52072240);the Shanghai Science and Technology Committee(No.18511109300);the Science and Technology Commission of the CMC(2019JCJQZD27300).
The corrosion susceptibility of magnesium(Mg)alloys presents a significant challenge for their broad application.Although there have been extensive experimental and theoretical investigations,the corrosion mechanisms ...
关键词:AIMD CORROSION equilibrium potential Mg atom dissolution polarization curve 
一种面向低功耗移动端到端系统的延迟推送同步策略
《计算机工程与科学》2024年第5期810-817,共8页赵悦 周桐庆 曾晖 蔡志平 肖侬 
国家自然科学基金(62172155,62072465);湖南省科技创新计划(2023RC3027)。
互联网技术的快速发展使得移动设备在人们生活中发挥了更多的作用。一个用户可能拥有多台设备,以满足办公、社交和娱乐等多种需要。现实应用中,同一用户多台设备间也面临着许多数据同步需求,来支持跨设备访问时的分布式应用(例如,跨设...
关键词:移动系统 数据同步 同步功耗 AIMD 
O_(2) adsorption on Fe_(3)O_(4) (110) surface and effect of gangue element Al doping: combined study of binding experiment and ab initio molecular dynamics
《Journal of Iron and Steel Research International》2024年第4期810-827,共18页Zheng-jian Liu Hui-qing Jiang Yao-zu Wang Jian-liang Zhang Hong-mei Qiao An-yang Zheng Fang-yu Guo 
the National Natural Science Foundation of China(52174291 and 52204335);the Beijing New-Star Plan of Science and Technology(Z211100002121115);the Central Universities Foundation of China(06500170);the Guangdong Basic and Applied Basic Research Fund Joint Regional Funds-Youth Foundation Projects(2020A1515111008);the China Postdoctoral Science Foundation(2021M690369)for their financial assistance.
At high temperature,the chemical reaction mechanism at the interface of magnetite and the influence mechanism of gangue element Al on the oxidation performance of magnetite are not clear.In addition,due to the limitat...
关键词:IRONMAKING Magnetite oxidation Interface reaction Adsorption-Gangue aluminum AIMD 
Repelling effects of Mg on diffusion of He atoms towards surface in SiC: Irradiation and annealing experiments combined with first-principles calculations被引量:1
《Journal of Advanced Ceramics》2023年第12期2284-2299,共16页Min Liu Qiqi Li Jun Hui Yongfeng Yan Renduo Liu Biao Wang 
This work was supported by the National Natural Science Foundation of China(Grant Nos.12175323 and 11705264);Guangdong Basic and Applied Basic Research Foundation(Grant No.2023A1515012692);the National Natural Science Foundation of China Original Exploration Project(Grant No.12150001);the Project of Nuclear Power Technology Innovation Center of Science Technology and Industry for National Defense(Grant No.HDLCXZX-2021-HD-035).
In this study,the effects of Mg on the formation of He bubbles and diffusion behavior of He atoms in cubic silicon carbide(3C–SiC)were investigated by irradiation and annealing experiments as well as first-principles...
关键词:SIC IRRADIATION He bubbles Mg ab initio molecular dynamics(AIMD) 
Static and dynamic evolution of CO adsorption onγ-U(100)surface with different levels of Mo doping using DFT and AIMD calculations被引量:1
《Nuclear Science and Techniques》2023年第9期142-154,共13页Jun-Wei Li Wei-Min Jia Chong Liu Sha-Sha Lv Jin-Tao Wang Zheng-Cao Li 
supported by the National Natural Science Foundation of China (Nos.11975135 and 12005017);the National Basic Research Program of China (No.2020YFB1901800)
Alloys of uranium and molybdenum are considered as the future of nuclear fuel and defense materials.However,surface corrosion is a fundamental problem in practical applications and storage.In this study,the static and...
关键词:Adsorption and dissociation URANIUM CO molecule Density functional theory Ab initio molecular dynamics 
一种基于深度强化学习的TCP网络拥塞控制协议被引量:4
《计算机应用与软件》2023年第3期179-187,共9页卢光全 李建波 吕志强 
国家重点研发计划重点专项项目(2018YFB2100303);山东省高等学校青创科技计划创新团队项目(2020KJN011);山东省博士后创新人才支持计划项目(40618030001);国家自然科学基金项目(61802216);中国博士后基金项目(2018M642613)。
在面对网络变化时,传统的TCP拥塞控制协议因其固有的规则机制只能做出固定的动作,既未充分利用链路带宽,也未从历史经验中学习,并且在发生拥塞时带宽恢复所用时间较长。近年来基于强化学习的拥塞控制协议(Reinforcement Learning Conges...
关键词:TCP AIMD 拥塞控制 强化学习 时序卷积网络 
WHO《为基于人工智能的医疗设备生成证据:训练、验证和评估框架》解析及其对我国医学装备行业的启示被引量:6
《中国医学装备》2022年第7期157-167,共11页李志勇 邱晓岚 杨建龙 谢子归 彭雄俊 崔泽实 
目的:解析世界卫生组织(WHO)《为基于人工智能的医疗设备生成证据:训练、验证和评估框架》(简称“WHO AIMD框架”),讨论对我国医学装备行业的启示。方法:分析WHO文本的基本要素,检索我国相关政策文件、期刊文献,进行文献评阅和比较研究...
关键词:人工智能医疗设备(AIMD) 独立软件医疗器械(SaMD) AI医疗器械软件(AI-SaMD) 生成证据 评估框架 证据标准 真实世界研究(RWR) 
Enhancing the process of CO_(2) reduction reaction by using CTAB to construct contact ion pair in Li-CO_(2) battery
《Chinese Chemical Letters》2022年第6期2933-2936,共4页Shiyu Ma Youcai Lu Hongchang Yao Qingchao Liu Zhongjun Li 
National Science Foundation of China(Nos.21701145 and 21701146);China Postdoctoral Science Foundation(Nos.2017M610459 and 2018T110739)。
Aprotic Li-CO_(2)batteries have attracted growing interest due to their high theoretical energy density and its ability to use green house gas CO_(2)for energy storage.However,the poor ability of activating CO_(2)in o...
关键词:CO_(2)reduction reaction Li-CO_(2)battery Quaternary ammonium additive Contact ion pair AIMD 
Laser-induced topology optimized amorphous nanostructure and corrosion electrochemistry of supersonically deposited Ni_(30)Cr_(25)Al_(15)Co_(15)Mo_(5)Ti_(5)Y_(5) HEA coating based on AIMD
《Journal of Materials Science & Technology》2022年第11期257-269,共13页Xue Yan Cheng Zhang Yangshuai Li Youjian Yi Ziruo Cui Bingyuan Han 
supported by a grant from the Natural Science Foundation of Jiangsu Province (Grant No.BK20191036);the Foundation of Research Project of China (Grant No.JCKY 61420051911)。
A novel Ni_(30)Cr_(25)Al_(15)Co_(15)Mo_(5)Ti_(5)Y_(5) high-entropy alloy(HEA)coating was irradiated to optimize its internal structure via laser after supersonic particle deposition(SPD).Owing to the high energy densi...
关键词:Ultrasonic atomization spin method(UASM) Laser-induced topology optimized(LTO) Amorphous nanostructure High-entropy alloy(HEA) Ab-initio molecular dynamics(AIMD) 
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