Tensile strength of carbyne chains in varied chemical environments and structural lengths

Nanotechnology

Volumn 25, Issue 37, 2014, Pages

  Mirzaeifar, Reza ^a   Qin, Zhao ^a   Buehler, Markus J ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

Bell theory; carbine; chemical environment; elasticity; molecular mechanics; rupture; size effect

Indexed keywords

ELASTICITY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; STATISTICAL MECHANICS; STRAIN; TENSILE STRENGTH;

CARBINE; CHEMICAL ENVIRONMENT; LOW-DIMENSIONAL STRUCTURES; MOLECULAR DYNAMICS SIMULATIONS; PHYSICAL MECHANISM; RUPTURE; SIZE EFFECTS; THEORETICAL FRAMEWORK;

CHAINS;

EID: 84906689570     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/25/37/371001     Document Type: Article

References (28)

1. Kavan L and Kastner J 1994 Carbyne forms of carbon - continuation of the story Carbon 32 1533-6
2. Chalifoux W A et al 2012 Adamantyl-endcapped polyynes J. Phys. Org. Chem. 25 69-76
3. Whittaker A G 1978 Carbon - new view of its high-temperature behavior Science 200 763-4
4. Chalifoux W A and Tykwinski R R 2010 Synthesis of polyynes to model the sp-carbon allotrope carbyne Nat. Chem. 2 967-71
5. Lagow R J et al 1995 Synthesis of linear acetylenic carbon - the sp carbon allotrope Science 267 362-7
6. Jin C H et al 2009 Deriving carbon atomic chains from graphene Phys. Rev. Lett. 102 205501
7. Erdogan E et al 2011 Engineering carbon chains from mechanically stretched graphene-based materials Phys. Rev. B 83 041401(R)
8. Liu M J et al 2013 Carbyne from first principles: chain of C atoms, a nanorod or a nanorope ACS Nano 7 10075-82
9. Nair A K, Cranford S W and Buehler M J 2011 The minimal nanowire: mechanical properties of carbyne Europhys. Lett 95 16002
10. Cranford S W 2013 Thermal stability of idealized folded carbyne loops Nanoscale Res. Lett. 8 490
11. Abdurahman A, Shukla A and Dolg M 2002 Ab initio many-body calculations on infinite carbon and boron-nitrogen chains Phys. Rev. B 65 115106
12. Hu Y H 2011 Bending effect of sp-hybridized carbon (carbyne) chains on their structures and properties J. Phys. Chem. C 115 1843-50
13. Ravagnan L et al 2009 Effect of axial torsion on sp carbon atomic wires Phys. Rev. Lett. 102 245502
14. Casillas G et al 2014 New insights into the properties and interactions of carbon chains as revealed by HRTEM and DFT analysis Carbon 66 436-41
15. Xue M, Qiu H and Guo W 2013 Exceptionally fast water desalination at complete salt rejection by pristine graphyne monolayers Nanotechnology 24 505720
16. Movsisyan L D et al 2012 Synthesis of polyyne rotaxanes Org. Lett. 14 3424-6
17. Weisbach N et al 2012 A new type of insulated molecular wire: a rotaxane derived from a metal-capped conjugated tetrayne Chem. Commun. 48 7562-4
18. Peng Q et al 2014 New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology Nanotechnol. Sci. App. 7 1-29
19. Baughman R H, Eckhardt H and Kertesz M 1987 Structure-property predictions for new planar forms of carbon: layered phases containing sp2 and sp atoms J. Chem. Phys. 87 6687-99
20. Lin S and Buehler M J 2013 Mechanics and molecular filtration performance of graphyne nanoweb membranes for selective water purification Nanoscale 5 11801-7
21. Kou J et al 2014 Graphyne as the membrane for water desalination Nanoscale 6 1865-70
22. Cranford S W and Buehler M J 2012 Selective hydrogen purification through graphdiyne under ambient temperature and pressure Nanoscale 4 4587-93
23. Chenoweth K, van Duin A C T and Goddard W A 2008 ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation J. Phys. Chem. A 112 1040-53
24. Strachan A et al 2005 Thermal decomposition of RDX from reactive molecular dynamics J. Chem. Phys. 122 054502
25. Ackbarow T and Buehler M J 2009 Alpha-helical protein domains unify strength and robustness through hierarchical nanostructures Nanotechnology 20 075103
26. Qin Z et al 2009 Robustness-strength performance of hierarchical alpha-helical protein filaments International J. Appl. Mech. 1 85-112
27. Berendsen H J C et al 1984 Molecular-dynamics with coupling to an external bath J. Chem. Phys. 81 3684-90
28. Plimpton S 1995 Fast parallel algorithms for short-range molecular-dynamics J. Comput. Phys. 117 1-19