Susan B. Sinnott
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A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
DW Brenner, OA Shenderova, JA Harrison, SJ Stuart, B Ni, SB Sinnott
Journal of Physics: Condensed Matter 14 (4), 783, 2002
Model of carbon nanotube growth through chemical vapor deposition
SB Sinnott, R Andrews, D Qian, AM Rao, Z Mao, EC Dickey, F Derbyshire
Chemical Physics Letters 315 (1-2), 25-30, 1999
Carbon nanotubes: synthesis, properties, and applications
SB Sinnott, R Andrews
Critical reviews in solid state and materials sciences 26 (3), 145-249, 2001
Effect of chemical functionalization on the mechanical properties of carbon nanotubes
A Garg, SB Sinnott
Chemical Physics Letters 295 (4), 273-278, 1998
Topology-scaling identification of layered solids and stable exfoliated 2D materials
M Ashton, J Paul, SB Sinnott, RG Hennig
Physical review letters 118 (10), 106101, 2017
Chemical functionalization of carbon nanotubes
SB Sinnott
Journal of Nanoscience and Nanotechnology 2 (2), 113-123, 2002
Parametrization of a reactive many-body potential for Mo–S systems
T Liang, SR Phillpot, SB Sinnott
Physical Review B 79 (24), 245110, 2009
Compression of carbon nanotubes filled with C 60, CH 4, or Ne: predictions from molecular dynamics simulations
B Ni, SB Sinnott, PT Mikulski, JA Harrison
Physical review letters 88 (20), 205505, 2002
Mechanical properties of nanotubule fibers and composites determined from theoretical calculations and simulations
SB Sinnott, OA Shenderova, CT White, DW Brenner
Carbon 36 (1-2), 1-9, 1998
Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials
T Liang, TR Shan, YT Cheng, BD Devine, M Noordhoek, Y Li, Z Lu, ...
Materials Science and Engineering: R: Reports 74 (9), 255-279, 2013
A computational study of molecular diffusion and dynamic flow through carbon nanotubes
Z Mao, SB Sinnott
The Journal of Physical Chemistry B 104 (19), 4618-4624, 2000
Molecular dynamics simulations of the filling and decorating of carbon nanotubules
Z Mao, A Garg, SB Sinnott
Nanotechnology 10 (3), 273, 1999
Charge optimized many-body potential for the Si∕ SiO 2 system
J Yu, SB Sinnott, SR Phillpot
Physical Review B 75 (8), 085311, 2007
Reactive potentials for advanced atomistic simulations
T Liang, YK Shin, YT Cheng, DE Yilmaz, KG Vishnu, O Verners, C Zou, ...
Annual review of materials research 43, 109-129, 2013
Mixed Bloch-Néel-Ising character of 180 ferroelectric domain walls
D Lee, RK Behera, P Wu, H Xu, YL Li, SB Sinnott, SR Phillpot, LQ Chen, ...
Physical Review B 80 (6), 060102, 2009
Predicted surface composition and thermodynamic stability of MXenes in solution
M Ashton, K Mathew, RG Hennig, SB Sinnott
The Journal of Physical Chemistry C 120 (6), 3550-3556, 2016
Separation of organic molecular mixtures in carbon nanotubes and bundles: molecular dynamics simulations
Z Mao, SB Sinnott
The journal of physical chemistry B 105 (29), 6916-6924, 2001
Ceramic/metal interface structures and their relationship to atomic-and meso-scale properties
SB Sinnott, EC Dickey
Materials Science and Engineering: R: Reports 43 (1-2), 1-59, 2003
Charge-optimized many-body potential for the hafnium/hafnium oxide system
TR Shan, BD Devine, TW Kemper, SB Sinnott, SR Phillpot
Physical Review B 81 (12), 125328, 2010
Interactions of carbon-nanotubule proximal probe tips with diamond and graphene
A Garg, J Han, SB Sinnott
Physical Review Letters 81 (11), 2260, 1998
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