Molecular Dynamics Simulation of Basal Spacing, Energetics, and Structure Evolution of a Kaolinite–Formamide Intercalation Complex and Their Interfacial Interaction

Shuai Zhang; Qinfu Liu; Feng Gao; Brian J. Teppen

doi:10.1021/acs.jpcc.7b10234

Molecular Dynamics Simulation of Basal Spacing, Energetics, and Structure Evolution of a Kaolinite–Formamide Intercalation Complex and Their Interfacial Interaction

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b10234 ◽

2018 ◽

Vol 122 (6) ◽

pp. 3341-3349 ◽

Cited By ~ 1

Author(s):

Shuai Zhang ◽

Qinfu Liu ◽

Feng Gao ◽

Brian J. Teppen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interfacial Interaction ◽

Dynamics Simulation ◽

Structure Evolution ◽

Basal Spacing ◽

Intercalation Complex

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Multiscale modeling of nano-SiO2 deposited on jute fibers via macroscopic evaluations and the interfacial interaction by molecular dynamics simulation

Composites Science and Technology ◽

10.1016/j.compscitech.2019.107987 ◽

2020 ◽

Vol 188 ◽

pp. 107987

Author(s):

Xuan Liu ◽

Yihua Cui ◽

Stephen K.L. Lee ◽

Miao Zhang ◽

Wenjun Nie

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Multiscale Modeling ◽

Interfacial Interaction ◽

Dynamics Simulation ◽

Nano Sio2 ◽

Jute Fibers

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Estimating interfacial interaction energy of Cu-epoxy resin from molecular dynamics simulation

Electronic Materials Letters ◽

10.1007/s13391-013-3197-9 ◽

2014 ◽

Vol 10 (3) ◽

pp. 535-539 ◽

Cited By ~ 3

Author(s):

Dong rong Xin ◽

Qiang Han

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Epoxy Resin ◽

Interaction Energy ◽

Interfacial Interaction ◽

Dynamics Simulation

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Molecular dynamics simulation of a deoxydinucleoside-drug intercalation complex: dCpG/proflavin

The Journal of Physical Chemistry ◽

10.1021/j100374a054 ◽

1990 ◽

Vol 94 (11) ◽

pp. 4660-4665 ◽

Cited By ~ 14

Author(s):

S. Swaminathan ◽

D. L. Beveridge ◽

H. M. Berman

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Intercalation Complex

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Molecular Dynamics Simulation of Local Structure Evolution in Cu Amorphous during Uniaxial Tension and Compression

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.mc201701 ◽

2018 ◽

Vol 59 (2) ◽

pp. 172-175

Author(s):

Ye Li ◽

Hongye Liang ◽

Xing Zhang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Uniaxial Tension ◽

Local Structure ◽

Dynamics Simulation ◽

Structure Evolution ◽

Tension And Compression

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Interfacial interaction and joining property of direct injection-molded polymer-metal hybrid structures: A molecular dynamics simulation study

Applied Surface Science ◽

10.1016/j.apsusc.2019.01.286 ◽

2019 ◽

Vol 478 ◽

pp. 680-689 ◽

Cited By ~ 16

Author(s):

Mingyong Zhou ◽

Xiang Xiong ◽

Dietmar Drummer ◽

Bingyan Jiang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Direct Injection ◽

Interfacial Interaction ◽

Dynamics Simulation ◽

Hybrid Structures ◽

Polymer Metal ◽

Injection Molded

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Molecular dynamics simulation of shape and structure evolution of preassembled cylindrical cetyltrimethylammonium bromide micelles induced by octanol

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2014.05.028 ◽

2014 ◽

Vol 457 ◽

pp. 152-159 ◽

Cited By ~ 9

Author(s):

Xiangfeng Jia ◽

Jingfei Chen ◽

Baogang Wang ◽

Weimin Liu ◽

Jingcheng Hao

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Cetyltrimethylammonium Bromide ◽

Dynamics Simulation ◽

Structure Evolution

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Molecular dynamics simulation of melt structure evolution during cooling process for lead on nickel substrate surface

Materials Letters ◽

10.1016/j.matlet.2016.03.098 ◽

2016 ◽

Vol 175 ◽

pp. 20-22 ◽

Cited By ~ 4

Author(s):

S. Guo ◽

M. Wang ◽

P.J. Zhao ◽

Q. Wang ◽

K. Du ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Substrate Surface ◽

Dynamics Simulation ◽

Structure Evolution ◽

Nickel Substrate ◽

Cooling Process ◽

Melt Structure

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Homogeneous Nucleation and Inner Structure Evolution in Nucleus Fe from Classic Molecular Dynamics Simulation

TMS 2016: 145thAnnual Meeting & Exhibition: Supplemental Proceedings ◽

10.1002/9781119274896.ch38 ◽

2016 ◽

pp. 317-326

Author(s):

Jie Luo ◽

Junjiang Xiao ◽

Yongquan Wu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Homogeneous Nucleation ◽

Dynamics Simulation ◽

Structure Evolution

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Molecular dynamics simulation of material removal process and crystal structure evolution in EDM with discharge on different crystal planes

The International Journal of Advanced Manufacturing Technology ◽

10.1007/s00170-017-0415-x ◽

2017 ◽

Vol 92 (9-12) ◽

pp. 3155-3165 ◽

Cited By ~ 5

Author(s):

Xiaoming Yue ◽

Xiaodong Yang

Keyword(s):

Crystal Structure ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Material Removal ◽

Dynamics Simulation ◽

Structure Evolution ◽

Removal Process

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The dynemicin-DNA intercalation complex: a model based on DNA affinity cleavage and molecular dynamics simulation

Journal of the American Chemical Society ◽

10.1021/ja00012a004 ◽

1991 ◽

Vol 113 (12) ◽

pp. 4395-4403 ◽

Cited By ~ 46

Author(s):

D. R. Langley ◽

T. W. Doyle ◽

D. L. Beveridge

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Dna Intercalation ◽

Intercalation Complex ◽

Model Based ◽

Affinity Cleavage

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