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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
44572002
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
8771999
Carbon nanotubes: synthesis, properties, and applications
SB Sinnott, R Andrews
Critical reviews in solid state and materials sciences 26 (3), 145-249, 2001
7142001
Effect of chemical functionalization on the mechanical properties of carbon nanotubes
A Garg, SB Sinnott
Chemical Physics Letters 295 (4), 273-278, 1998
4351998
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
3942017
Chemical functionalization of carbon nanotubes
SB Sinnott
Journal of Nanoscience and Nanotechnology 2 (2), 113-123, 2002
3672002
Parametrization of a reactive many-body potential for Mo–S systems
T Liang, SR Phillpot, SB Sinnott
Physical Review B 79 (24), 245110, 2009
3322009
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
2912013
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
2841998
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
2822002
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
2692000
Charge optimized many-body potential for the Si∕ SiO 2 system
J Yu, SB Sinnott, SR Phillpot
Physical Review B 75 (8), 085311, 2007
2532007
Molecular dynamics simulations of the filling and decorating of carbon nanotubules
Z Mao, A Garg, SB Sinnott
Nanotechnology 10 (3), 273, 1999
2491999
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
2432013
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
2242016
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
2232009
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
2102003
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
2082001
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
1942010
Two-dimensional intrinsic half-metals with large spin gaps
M Ashton, D Gluhovic, SB Sinnott, J Guo, DA Stewart, RG Hennig
Nano letters 17 (9), 5251-5257, 2017
1862017
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