Non-equilibrium grain boundaries with excess energy in graphene

被引：24

作者：

Romanov, A. E. ^{[1
,2
]}

Kolesnikova, A. L. ^{[1
,3
]}

Orlova, T. S. ^{[1
,2
]}

Hussainova, I. ^{[4
]}

Bougrov, V. E. ^{[1
]}

Valiev, R. Z. ^{[1
,5
]}

机构：

[1] ITMO Univ, St Petersburg 197101, Russia

[2] Ioffe Phys Tech Inst, St Petersburg 194021, Russia

[3] Inst Problems Mech Engn, St Petersburg 199178, Russia

[4] Tallinn Univ Technol, EE-19086 Tallinn, Estonia

[5] Ufa State Aviat Tech Univ, Ufa 450000, Russia

来源：

CARBON | 2015年 / 81卷

关键词：

CHEMICAL-VAPOR-DEPOSITION; POLYCRYSTALLINE GRAPHENE; ELECTRONIC-PROPERTIES; ELASTIC PROPERTIES; TILT BOUNDARIES; DEFECT; TRANSPORT; ALLOYS; METALS;

D O I：

10.1016/j.carbon.2014.09.053

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Exploring an approach to grain boundary (GB) mesoscopic structure in 3D polycrystals, we develop a model description for equilibrium and non-equilibrium states of GBs in graphene. Non-equilibrium states of GBs in graphene are analyzed for the first time. On the base of this model, dependence of total energy for symmetric GBs on the misorientation angle, E(theta), in graphene was calculated. It was found that for the same average misorientation angle the energy in a non-equilibrium state of a GB in graphene can significantly exceed the energy in the equilibrium state. In graphene, the GB energy depends to a greater extent on the deviation from the equilibrium state than on the misorientation angle. It is proposed to account for the presence of non-equilibrium GBs in the explanations of unusual physical properties of graphene. (C) 2014 Elsevier Ltd. All rights reserved.

引用

页码：223 / 231

页数：9

共 50 条

[1] NON-EQUILIBRIUM EFFECTS AT GRAIN-BOUNDARIES
VARIN, RA
JOURNAL OF METALS, 1982, 35 (12): : A83 - A83
[2] NON-EQUILIBRIUM SEGREGATION OF SOLUTE TO GRAIN BOUNDARIES
CHU Youyi ZHANG Sanhong HE Xinlai KE Jun(T.Ko) University of Science and Technology Beijing
Acta Metallurgica Sinica(English Edition), 1990, (01) : 40 - 45
[3] Evolution of non-equilibrium segregation of boron on grain boundaries
Wu, Ping
He, Xinlai
Yu, Dongyou
Cao, Bing
Jinshu Xuebao/Acta Metallurgica Sinica, 2002, 38 (01):
[4] MIGRATION OF GRAIN-BOUNDARIES WITH NON-EQUILIBRIUM STRUCTURE
VALIEV, RZ
GERTSMAN, VY
KAIBYSHEV, OA
FIZIKA TVERDOGO TELA, 1980, 22 (07): : 2213 - 2216
[5] Evolution of non-equilibrium segregation of boron on grain boundaries
Wu, P
He, XL
Yu, DY
Cao, B
ACTA METALLURGICA SINICA, 2002, 38 (01) : 6 - 10
[6] NON-EQUILIBRIUM STRUCTURE OF GRAIN-BOUNDARIES AND PROPERTIES OF METALS
KAIBYSHEV, OA
VALIEV, RZ
JOURNAL DE PHYSIQUE, 1985, 46 (NC-4): : 641 - 644
[7] DIRECT MEASUREMENTK OF NON-EQUILIBRIUM SOLUTE SEGREGATION TO GRAIN BOUNDARIES
BERCOVICI, SJ
NIESSEN, P
BYERLEY, JJ
SCRIPTA METALLURGICA, 1969, 3 (09): : 663 - +
[8] Direct observation of strain-induced non-equilibrium grain boundaries
Straumal, B. B.
Kogtenkova, O. A.
Muktepavela, F.
Kolesnikova, K. I.
Bulatov, M. F.
Straumal, P. B.
Baretzky, B.
MATERIALS LETTERS, 2015, 159 : 432 - 435
[9] The non-equilibrium segregation of boron on original and moving austenite grain boundaries
Jahazi, M
Jonas, JJ
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2002, 335 (1-2): : 49 - 61
[10] Non-equilibrium segregation of sulfur due to grain boundaries motions in nickel
Saindrenan, G., 1600, (23):

← 1 2 3 4 5 →