Effect of temperature and functionalization on the interfacial properties of CNT reinforced nanocomposites

被引:32
作者
Guru, K. [1 ]
Mishra, S. B. [2 ]
Shukla, K. K. [1 ]
机构
[1] MNNITALD, Dept Appl Mech, Allahabad 211004, Uttar Pradesh, India
[2] MNNITALD, Dept Mech Engn, Allahabad 211004, Uttar Pradesh, India
关键词
Nanocomposites; CNT functionalization; Interaction energy; Pull out; Interface; NANOTUBE-POLYMER COMPOSITES; WALLED CARBON NANOTUBES; MOLECULAR-DYNAMICS; MECHANICAL-PROPERTIES; BONDING CHARACTERISTICS; MATRIX; FORCE;
D O I
10.1016/j.apsusc.2015.04.196
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
This paper presents a study of the interfacial characteristics in a SWCNT/epoxy nanocomposites system using Molecular dynamics simulations. Interaction energy at the interface of SWCNT and matrix and interfacial shear strength (IFSS) is calculated. Effects of temperature and functionalization with different functional groups (Amide and Phenyl) and their distribution on the interfacial properties of nanocomposites are studied. The Interaction energy is used to calculate the interfacial stiffness in case of Pristine CNT/epoxy system. Pull out simulation of the CNT is performed to characterize the IFSS. The results suggested the existence of attractive interface between CNT and the epoxy for all the cases analyzed. The Interaction energy increases with decrease in temperature and decreases with increase in temperature from the room temperature. Functionalization of CNTs increases the interaction when compared with the pristine one which further increases with degree of functionalization. The IFSS decreases with temperature in case of pristine CNTs and increases with functionalization. (C) 2015 Elsevier B.V. All rights reserved.
引用
收藏
页码:59 / 65
页数:7
相关论文
共 34 条
[1]   MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393
[2]   Carbon nanotube polymer composites [J].
Andrews, R ;
Weisenberger, MC .
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 2004, 8 (01) :31-37
[3]   Carbon nanotube reinforced polymer composites - A state of the art [J].
Bal, S. ;
Samal, S. S. .
BULLETIN OF MATERIALS SCIENCE, 2007, 30 (04) :379-386
[4]   Covalent surface chemistry of single-walled carbon nanotubes [J].
Banerjee, S ;
Hemraj-Benny, T ;
Wong, SS .
ADVANCED MATERIALS, 2005, 17 (01) :17-29
[5]   Measurement of carbon nanotube-polymer interfacial strength [J].
Barber, AH ;
Cohen, SR ;
Wagner, HD .
APPLIED PHYSICS LETTERS, 2003, 82 (23) :4140-4142
[6]  
Barber Asa H., 2004, COMPOS SCI TECHNOL, V64, P2283
[7]   MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH [J].
BERENDSEN, HJC ;
POSTMA, JPM ;
VANGUNSTEREN, WF ;
DINOLA, A ;
HAAK, JR .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3684-3690
[8]   Noncovalent engineering of carbon nanotube surfaces by rigid, functional conjugated polymers [J].
Chen, J ;
Liu, HY ;
Weimer, WA ;
Halls, MD ;
Waldeck, DH ;
Walker, GC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (31) :9034-9035
[9]   Small but strong: A review of the mechanical properties of carbon nanotube-polymer composites [J].
Coleman, Jonathan N. ;
Khan, Umar ;
Blau, Werner J. ;
Gun'ko, Yurii K. .
CARBON, 2006, 44 (09) :1624-1652
[10]   Detachment of nanotubes from a polymer matrix [J].
Cooper, CA ;
Cohen, SR ;
Barber, AH ;
Wagner, HD .
APPLIED PHYSICS LETTERS, 2002, 81 (20) :3873-3875