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Frontiers of Mechanical Engineering 2021, Volume 16, Issue 3, Pages 570-579 doi: 10.1007/s11465-021-0642-6
Keywords: silicon ReaxFF molecular dynamics friction damage
Molecular dynamics simulation of diffusivity
LIU Juanfang, ZENG Danling, LI Qin, GAO Hong
Frontiers in Energy 2008, Volume 2, Issue 3, Pages 359-362 doi: 10.1007/s11708-008-0039-9
Keywords: diffusivity Equilibrium molecular influence potential
Lin ZHANG, Yan SUN
Frontiers of Chemical Science and Engineering 2013, Volume 7, Issue 4, Pages 456-463 doi: 10.1007/s11705-013-1357-y
Keywords: 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
Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 4, Pages 922-934 doi: 10.1007/s11705-020-2004-z
Keywords: DNA sequencing MoS2 molecular dynamics simulation nanopore ionic current
Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 11, doi: 10.1007/s11783-023-1740-y
● MD simulations unveil the transport mechanism for TFP-water mixture through CNTs.
Keywords: 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
Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 2, Pages 435-445 doi: 10.1007/s11709-019-0603-x
Keywords: rubber asphalt compatibility rubber content molecular dynamics simulation
Yang Zhou, Phillip Choi
Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 3, Pages 440-447 doi: 10.1007/s11705-017-1626-2
Keywords: 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
Frontiers of Chemical Science and Engineering 2019, Volume 13, Issue 1, Pages 133-139 doi: 10.1007/s11705-018-1737-4
Keywords: CodY DNA molecular docking molecular dynamics
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
Frontiers of Mechanical Engineering 2017, Volume 12, Issue 1, Pages 89-98 doi: 10.1007/s11465-017-0412-7
Keywords: MD simulation ultra-precision machining hard and brittle materials machining mechanism review
Dongliang HU, Jianzhong PEI, Rui LI, Jiupeng ZHANG, Yanshun JIA, Zepeng FAN
Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 1, Pages 109-122 doi: 10.1007/s11709-019-0579-6
Keywords: crumb rubber modified asphalt surface free energy self-healing interface properties molecular dynamicssimulation
Study on the gas permeabilities in styrene-butadiene rubber by molecular dynamics simulation
Hailu LIU, Xuejia DING, Jun YI, Liqun ZHANG, Sizhu WU,
Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 3, Pages 257-262 doi: 10.1007/s11705-009-0270-x
Keywords: diffusion atomistic simulation permeability chemical structure relationship
Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 5, Pages 1261-1276 doi: 10.1007/s11709-021-0761-5
Keywords: SBS asphalt oxidative aging asphalt hardening ReaxFF molecular dynamics
Mohammad SALAVATI, Arvin MOJAHEDIN, Ali Hossein Nezhad SHIRAZI
Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 3, Pages 623-631 doi: 10.1007/s11709-020-0616-5
Keywords: hexagonal boron-nitride mechanical properties crack notch point defects molecular dynamics
Temperature difference-powered carbon nanotube bearings
Quanwen HOU, Bingyang CAO, Zengyuan GUO
Frontiers in Energy 2011, Volume 5, Issue 1, Pages 49-52 doi: 10.1007/s11708-010-0111-0
Keywords: temperature difference-induced motion carbon nanotubes nanobearing molecular dynamics simulation
Tianwei TAN, Peiyong QIN,
Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 3, Pages 241-241 doi: 10.1007/s11705-009-0285-3
Title Author Date Type Operation
Atomistic understanding of interfacial processing mechanism of silicon in water environment: A ReaxFF moleculardynamics simulation
Journal Article
Molecular dynamics simulation of diffusivity
LIU Juanfang, ZENG Danling, LI Qin, GAO Hong
Journal Article
Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics
Lin ZHANG, Yan SUN
Journal Article
Molecular dynamics simulation on DNA translocating through MoS
Daohui Zhao, Huang Chen, Yuqing Wang, Bei Li, Chongxiong Duan, Zhixian Li, Libo Li
Journal Article
Enhanced separation of tetrafluoropropanol from water via carbon nanotubes membranes: insights from moleculardynamics simulations
Journal Article
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
Journal Article
Molecular dynamics study of water diffusion in an amphiphilic block copolymer with large difference in
Yang Zhou, Phillip Choi
Journal Article
Molecular simulation of the interaction mechanism between CodY protein and DNA in
Linchen Yuan, Hao Wu, Yue Zhao, Xiaoyu Qin, Yanni Li
Journal Article
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
Journal Article
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
Journal Article
Study on the gas permeabilities in styrene-butadiene rubber by molecular dynamics simulation
Hailu LIU, Xuejia DING, Jun YI, Liqun ZHANG, Sizhu WU,
Journal Article
styrene-butadiene-styrene copolymer on the aging resistance of asphalt: An atomistic understanding from reactive moleculardynamics simulations
Journal Article
Mechanical responses of pristine and defective hexagonal boron-nitride nanosheets: A molecular dynamics
Mohammad SALAVATI, Arvin MOJAHEDIN, Ali Hossein Nezhad SHIRAZI
Journal Article
Temperature difference-powered carbon nanotube bearings
Quanwen HOU, Bingyang CAO, Zengyuan GUO
Journal Article