Preparation of long monatomic carbon chains: Molecular dynamics studies

被引：24

作者：

Wang, Yin ^{[1
]}

Ning, Xi-Jing ^{[1
]}

Lin, Zheng-Zhe ^{[1
]}

Li, Peng ^{[1
]}

Zhuang, Jun ^{[2
]}

机构：

[1] Fudan Univ, Inst Modern Phys, Minist Educ, Key Lab Appl Ion Beam Phys, Shanghai 200433, Peoples R China

[2] Fudan Univ, Dept Opt Sci & Engn, Shanghai 200433, Peoples R China

来源：

PHYSICAL REVIEW B | 2007年 / 76卷 / 16期

关键词：

D O I：

10.1103/PhysRevB.76.165423

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Molecular dynamics simulations based on the Brenner potential, a tight-binding method, and the Car-Parrinello algorithm were performed to explore the conditions for pulling out long monatomic chains from a graphite layer. The results show that the method of pulling, the ambient temperature, and the pulling speed are important factors. The simulations indicate that free monatomic carbon chains with macro length can be obtained at about 1000 K if the pulling speed is much lower than 30 m/s.

引用

页数：4

共 50 条

[21] Molecular dynamics study of the collective density excitations in monatomic glass
Dzugutov, Mikhail
Materials Science and Engineering A, 1991, A134 : 921 - 926
[22] Molecular dynamics of methylphenylsiloxane chains
Horta, A
Piérola, IF
Maçanita, AL
MACROMOLECULES, 2000, 33 (04) : 1213 - 1223
[23] DYNAMICS AND FREQUENCY DISTRIBUTION FUNCTIONS FOR 2 FORCE-CONSTANT MONATOMIC LINEAR CHAINS
AGGARWAL, KG
INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 1965, 3 (09) : 324 - &
[24] Molecular dynamics studies of thermal accommodation on carbon structures
Mehta, Neil
Zhu, Tong
Levin, Deborah A.
van Duin, Adri C.T.
AIAA AVIATION 2014 -11th AIAA/ASME Joint Thermophysics and Heat Transfer Conference, 2014,
[25] Pulling long linear atomic chains from graphene: Molecular dynamics simulations
Wang, Yin
Lin, Zheng-Zhe
Zhang, Wenxian
Zhuang, Jun
Ning, Xi-Jing
PHYSICAL REVIEW B, 2009, 80 (23):
[26] Quantum chemistry and molecular dynamics studies of the entropic elasticity of localized molecular kinks in polyisoprene chains
Hanson, David E.
Martin, Richard L.
JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (08):
[27] Electrochemical preparation of carbon chains and nanoparticles
Kavan, L
ELECTRONIC PROPERTIES OF NOVEL MATERIALS - SCIENCE AND TECHNOLOGY OF MOLECULAR NANOSTRUCTURES, 1999, 486 : 209 - 212
[28] MOLECULAR-DYNAMICS STUDY OF THE COLLECTIVE DENSITY EXCITATIONS IN MONATOMIC GLASS
DZUGUTOV, M
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 1991, 134 : 921 - 926
[29] Molecular dynamics studies on the interaction and encapsulation processes of the nucleotide and peptide chains inside of a carbon nanotube matrix with inclusion of gold nanoparticles
Kholmurodov, Kholmirzo
Dushanov, Eric
Khusenov, Mirzoaziz
Rahmonov, Khaiyom
Zelenyak, Tatyana
Doroshkevich, Alexander
Majumder, Subrata
III INTERNATIONAL CONFERENCE ON SMALL ANGLE NEUTRON SCATTERING DEDICATED TO THE 80TH ANNIVERSARY OF YU.M. OSTANEVICH, 2017, 848
[30] Theory of multiexciton dynamics in molecular chains
Wang, Luxia
May, Volkhard
PHYSICAL REVIEW B, 2016, 94 (19)

← 1 2 3 4 5 →