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《机械工程前沿(英文)》 2021年 第16卷 第3期 页码 570-579 doi: 10.1007/s11465-021-0642-6
Molecular dynamics simulation of diffusivity
LIU Juanfang, ZENG Danling, LI Qin, GAO Hong
《能源前沿(英文)》 2008年 第2卷 第3期 页码 359-362 doi: 10.1007/s11708-008-0039-9
Lin ZHANG, Yan SUN
《化学科学与工程前沿(英文)》 2013年 第7卷 第4期 页码 456-463 doi: 10.1007/s11705-013-1357-y
关键词: adsorption desorption irreversibility protein conformational transition molecular dynamics simulation
Molecular dynamics simulation on DNA translocating through MoS
Daohui Zhao, Huang Chen, Yuqing Wang, Bei Li, Chongxiong Duan, Zhixian Li, Libo Li
《化学科学与工程前沿(英文)》 2021年 第15卷 第4期 页码 922-934 doi: 10.1007/s11705-020-2004-z
关键词: DNA sequencing MoS2 molecular dynamics simulation nanopore ionic current
《环境科学与工程前沿(英文)》 2023年 第17卷 第11期 doi: 10.1007/s11783-023-1740-y
● MD simulations unveil the transport mechanism for TFP-water mixture through CNTs.
关键词: Fluorinated alcohol Carbon nanotube Molecular simulation Fluorine modified
Evaluation of the compatibility between rubber and asphalt based on molecular dynamics simulation
Fucheng GUO, Jiupeng ZHANG, Jianzhong PEI, Weisi MA, Zhuang HU, Yongsheng GUAN
《结构与土木工程前沿(英文)》 2020年 第14卷 第2期 页码 435-445 doi: 10.1007/s11709-019-0603-x
关键词: rubber asphalt compatibility rubber content molecular dynamics simulation
Yang Zhou, Phillip Choi
《化学科学与工程前沿(英文)》 2017年 第11卷 第3期 页码 440-447 doi: 10.1007/s11705-017-1626-2
关键词: molecular dynamics simulation amphiphilic block copolymer free volume water diffusivity fujita model
Molecular simulation of the interaction mechanism between CodY protein and DNA in
Linchen Yuan, Hao Wu, Yue Zhao, Xiaoyu Qin, Yanni Li
《化学科学与工程前沿(英文)》 2019年 第13卷 第1期 页码 133-139 doi: 10.1007/s11705-018-1737-4
Advances in molecular dynamics simulation of ultra-precision machining of hard and brittle materials
Xiaoguang GUO,Qiang LI,Tao LIU,Renke KANG,Zhuji JIN,Dongming GUO
《机械工程前沿(英文)》 2017年 第12卷 第1期 页码 89-98 doi: 10.1007/s11465-017-0412-7
Hard and brittle materials, such as silicon, SiC, and optical glasses, are widely used in aerospace, military, integrated circuit, and other fields because of their excellent physical and chemical properties. However, these materials display poor machinability because of their hard and brittle properties. Damages such as surface micro-crack and subsurface damage often occur during machining of hard and brittle materials. Ultra-precision machining is widely used in processing hard and brittle materials to obtain nanoscale machining quality. However, the theoretical mechanism underlying this method remains unclear. This paper provides a review of present research on the molecular dynamics simulation of ultra-precision machining of hard and brittle materials. The future trends in this field are also discussed.
关键词: MD simulation ultra-precision machining hard and brittle materials machining mechanism review
Dongliang HU, Jianzhong PEI, Rui LI, Jiupeng ZHANG, Yanshun JIA, Zepeng FAN
《结构与土木工程前沿(英文)》 2020年 第14卷 第1期 页码 109-122 doi: 10.1007/s11709-019-0579-6
关键词: crumb rubber modified asphalt surface free energy self-healing interface properties molecular dynamics simulation
Study on the gas permeabilities in styrene-butadiene rubber by molecular dynamics simulation
Hailu LIU, Xuejia DING, Jun YI, Liqun ZHANG, Sizhu WU,
《化学科学与工程前沿(英文)》 2010年 第4卷 第3期 页码 257-262 doi: 10.1007/s11705-009-0270-x
关键词: diffusion atomistic simulation permeability chemical structure relationship
《结构与土木工程前沿(英文)》 2021年 第15卷 第5期 页码 1261-1276 doi: 10.1007/s11709-021-0761-5
关键词: SBS asphalt oxidative aging asphalt hardening ReaxFF molecular dynamics
Mohammad SALAVATI, Arvin MOJAHEDIN, Ali Hossein Nezhad SHIRAZI
《结构与土木工程前沿(英文)》 2020年 第14卷 第3期 页码 623-631 doi: 10.1007/s11709-020-0616-5
关键词: hexagonal boron-nitride mechanical properties crack notch point defects molecular dynamics
Temperature difference-powered carbon nanotube bearings
Quanwen HOU, Bingyang CAO, Zengyuan GUO
《能源前沿(英文)》 2011年 第5卷 第1期 页码 49-52 doi: 10.1007/s11708-010-0111-0
关键词: temperature difference-induced motion carbon nanotubes nanobearing molecular dynamics simulation
Tianwei TAN, Peiyong QIN,
《化学科学与工程前沿(英文)》 2010年 第4卷 第3期 页码 241-241 doi: 10.1007/s11705-009-0285-3
标题 作者 时间 类型 操作
Atomistic understanding of interfacial processing mechanism of silicon in water environment: A ReaxFF moleculardynamics simulation
期刊论文
Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics
Lin ZHANG, Yan SUN
期刊论文
Molecular dynamics simulation on DNA translocating through MoS
Daohui Zhao, Huang Chen, Yuqing Wang, Bei Li, Chongxiong Duan, Zhixian Li, Libo Li
期刊论文
Enhanced separation of tetrafluoropropanol from water via carbon nanotubes membranes: insights from moleculardynamics simulations
期刊论文
Evaluation of the compatibility between rubber and asphalt based on molecular dynamics simulation
Fucheng GUO, Jiupeng ZHANG, Jianzhong PEI, Weisi MA, Zhuang HU, Yongsheng GUAN
期刊论文
Molecular dynamics study of water diffusion in an amphiphilic block copolymer with large difference in
Yang Zhou, Phillip Choi
期刊论文
Molecular simulation of the interaction mechanism between CodY protein and DNA in
Linchen Yuan, Hao Wu, Yue Zhao, Xiaoyu Qin, Yanni Li
期刊论文
Advances in molecular dynamics simulation of ultra-precision machining of hard and brittle materials
Xiaoguang GUO,Qiang LI,Tao LIU,Renke KANG,Zhuji JIN,Dongming GUO
期刊论文
parameters to study self-healing and interface properties of crumb rubber modified asphalt based on moleculardynamics simulation
Dongliang HU, Jianzhong PEI, Rui LI, Jiupeng ZHANG, Yanshun JIA, Zepeng FAN
期刊论文
Study on the gas permeabilities in styrene-butadiene rubber by molecular dynamics simulation
Hailu LIU, Xuejia DING, Jun YI, Liqun ZHANG, Sizhu WU,
期刊论文
styrene-butadiene-styrene copolymer on the aging resistance of asphalt: An atomistic understanding from reactive moleculardynamics simulations
期刊论文
Mechanical responses of pristine and defective hexagonal boron-nitride nanosheets: A molecular dynamics
Mohammad SALAVATI, Arvin MOJAHEDIN, Ali Hossein Nezhad SHIRAZI
期刊论文
Temperature difference-powered carbon nanotube bearings
Quanwen HOU, Bingyang CAO, Zengyuan GUO
期刊论文