Structure, elastic properties and strength of amorphous and nanocomposite carbon

被引:23
作者
Remediakis, Ioannis N. [1 ]
Fyta, Maria G.
Mathioudakis, Christos
Kopidakis, Georgios
Kelires, Pantelis C.
机构
[1] Univ Crete, Dept Mat Sci & Technol, Iraklion 71003, Greece
[2] Univ Crete, Dept Phys, Iraklion 71003, Greece
[3] Fdn Res & Technol Hellas, IESL, Iraklion 71003, Greece
关键词
amorphous carbon; nanocomposite carbon; mechanical properties; fracture;
D O I
10.1016/j.diamond.2007.08.010
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We study theoretically the equilibrium structure, as well as the response under external load, of characteristic carbon-based materials. The materials considered include diamond, amorphous carbon (a-C), "amorphous diamond" and nanocomposite amorphous carbon (na-C). A universal bulk modulus versus density curve is obeyed by all structures we consider. We calculate the dependence of elastic constants on the density. The strength of a-C was found to increase in roughly a linear manner, with increasing concentration of four-fold atoms, with the maximum stress of the strongest a-C sample being about half that of diamond. The response of na-C to external load is essentially identical to the response of the embedding a-C matrix. (C) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码:1835 / 1840
页数:6
相关论文
共 24 条
[11]   The mechanism of diamond nucleation from energetic species [J].
Lifshitz, Y ;
Köhler, T ;
Frauenheim, T ;
Guzmann, I ;
Hoffman, A ;
Zhang, RQ ;
Zhou, XT ;
Lee, ST .
SCIENCE, 2002, 297 (5586) :1531-1533
[12]   STRUCTURAL-PROPERTIES OF A 3-DIMENSIONAL ALL-SP2 PHASE OF CARBON [J].
LIU, AY ;
COHEN, ML ;
HASS, KC ;
TAMOR, MA .
PHYSICAL REVIEW B, 1991, 43 (08) :6742-6745
[13]   Comparison of density-functional, tight-binding, and empirical methods for the simulation of amorphous carbon [J].
Marks, NA ;
Cooper, NC ;
McKenzie, DR ;
McCulloch, DG ;
Bath, P ;
Russo, SP .
PHYSICAL REVIEW B, 2002, 65 (07) :1-9
[14]   Physical trends in amorphous carbon: A tight-binding molecular-dynamics study [J].
Mathioudakis, C ;
Kopidakis, G ;
Kelires, PC ;
Wang, CZ ;
Ho, KM .
PHYSICAL REVIEW B, 2004, 70 (12) :125202-1
[15]   Ab initio simulations of the structure of amorphous carbon [J].
McCulloch, DG ;
McKenzie, DR ;
Goringe, CM .
PHYSICAL REVIEW B, 2000, 61 (03) :2349-2355
[16]   Applications of a tight-binding total-energy method for transition and noble metals: Elastic constants, vacancies, and surfaces of monatomic metals [J].
Mehl, MJ ;
Papaconstantopoulos, DA .
PHYSICAL REVIEW B, 1996, 54 (07) :4519-4530
[17]   The Slater-Koster tight-binding method: a computationally efficient and accurate approach [J].
Papaconstantopoulos, DA ;
Mehl, MJ .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2003, 15 (10) :R413-R440
[18]   Environment-dependent tight-binding potential model [J].
Tang, MS ;
Wang, CZ ;
Chan, CT ;
Ho, KM .
PHYSICAL REVIEW B, 1996, 53 (03) :979-982
[19]   Theoretical strength and cleavage of diamond [J].
Telling, RH ;
Pickard, CJ ;
Payne, MC ;
Field, JE .
PHYSICAL REVIEW LETTERS, 2000, 84 (22) :5160-5163
[20]   EMPIRICAL INTERATOMIC POTENTIAL FOR CARBON, WITH APPLICATIONS TO AMORPHOUS-CARBON [J].
TERSOFF, J .
PHYSICAL REVIEW LETTERS, 1988, 61 (25) :2879-2882