Susan Sinnott - Publications

Affiliations: 
1995-2000 Chemical & Materials Engineering University of Kentucky, Lexington, KY 
 2000-2015 Materials Science and Engineering University of Florida, Gainesville, Gainesville, FL, United States 
 2015- Materials Science and Engineering Pennsylvania State University, State College, PA, United States 
Area:
Materials Science Engineering
Website:
https://www.matse.psu.edu/directory/susan-sinnott

194 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Fonseca AF, Dantas SO, Galvao DS, Zhang D, Sinnott S. The structure of graphene on graphene/C60/Cu interfaces: a molecular dynamics study. Nanotechnology. PMID 31519001 DOI: 10.1088/1361-6528/ab4431  0.4
2018 Yuan Y, Lu Y, Stone G, Wang K, Brooks CM, Schlom DG, Sinnott SB, Zhou H, Gopalan V. Three-dimensional atomic scale electron density reconstruction of octahedral tilt epitaxy in functional perovskites. Nature Communications. 9: 5220. PMID 30523251 DOI: 10.1038/s41467-018-07665-1  0.64
2018 Antony AC, Liang T, Sinnott SB. Nanoscale Structure and Dynamics of Water on Pt and Cu Surfaces from MD Simulations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30169963 DOI: 10.1021/acs.langmuir.8b02315  1
2017 Liang T, Antony AC, Akhade SA, Janik MJ, Sinnott SB. Applied Potentials in Variable Charge Reactive Force Fields for Electrochemical Systems. The Journal of Physical Chemistry. A. PMID 29257690 DOI: 10.1021/acs.jpca.7b06064  1
2017 Zhang D, Ashton M, Ostadhossein A, van Duin ACT, Hennig RG, Sinnott SB. Computational Study of Low Interlayer Friction in Tin+1Cn (n=1, 2 and 3) MXene. Acs Applied Materials & Interfaces. PMID 28884568 DOI: 10.1021/acsami.7b09895  1
2017 Fonseca AF, Liang T, Zhang D, Choudhary K, Phillpot SR, Sinnott SB. Graphene-Titanium Interfaces from Molecular Dynamics Simulation. Acs Applied Materials & Interfaces. PMID 28868882 DOI: 10.1021/acsami.7b09469  1
2017 Ashton M, Gluhovic D, Sinnott SB, Guo J, Stewart DA, Hennig RG. Two-Dimensional Half-Metals With Large Spin Gaps. Nano Letters. PMID 28745061 DOI: 10.1021/acs.nanolett.7b01367  1
2017 Ashton M, Paul J, Sinnott SB, Hennig RG. Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials. Physical Review Letters. 118: 106101. PMID 28339265 DOI: 10.1103/PhysRevLett.118.106101  1
2016 Antony AC, Liang T, Akhade SA, Janik MJ, Phillpot SR, Sinnott SB. Effect of surface chemistry on water interaction with Cu(111). Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27442055 DOI: 10.1021/acs.langmuir.6b01974  1
2016 Lin FY, Chernatynskiy A, Nikkel J, Bulanadi R, Jones JL, Nino JC, Sinnott SB. Diffusion Across M/Pb(Zr,Ti)O3 Interfaces (M=Pt3Pb or Pt) under Different System Conditions Journal of the American Ceramic Society. 99: 356-362. DOI: 10.1111/jace.13966  1
2016 Ashton M, Hennig RG, Broderick SR, Rajan K, Sinnott SB. Computational discovery of stable M2AX phases Physical Review B - Condensed Matter and Materials Physics. 94. DOI: 10.1103/PhysRevB.94.054116  1
2016 Gault B, Saxey DW, Ashton MW, Sinnott SB, Chiaramonti AN, Moody MP, Schreiber DK. Behavior of molecules and molecular ions near a field emitter New Journal of Physics. 18. DOI: 10.1088/1367-2630/18/3/033031  1
2016 Lin FY, Chernatynskiy A, Nino JC, Jones JL, Hennig R, Sinnott SB. Role of composition and structure on the properties of metal/multifunctional ceramic interfaces Journal of Applied Physics. 120. DOI: 10.1063/1.4959074  1
2016 Ashton M, Hennig RG, Sinnott SB. Computational characterization of lightweight multilayer MXene Li-ion battery anodes Applied Physics Letters. 108. DOI: 10.1063/1.4939745  1
2016 Liang T, Ashton M, Choudhary K, Zhang D, Fonseca AF, Revard BC, Hennig RG, Phillpot SR, Sinnott SB. Properties of Ti/TiC Interfaces from Molecular Dynamics Simulations Journal of Physical Chemistry C. 120: 12530-12538. DOI: 10.1021/acs.jpcc.6b02763  1
2016 Ashton M, Mathew K, Hennig RG, Sinnott SB. Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution Journal of Physical Chemistry C. 120: 3550-3556. DOI: 10.1021/acs.jpcc.5b11887  1
2016 Li Y, Goyal A, Chernatynskiy A, Jayashankar JS, Kautzky MC, Sinnott SB, Phillpot SR. Nanoindentation of gold and gold alloys by molecular dynamics simulation Materials Science and Engineering A. 651: 346-357. DOI: 10.1016/j.msea.2015.10.081  1
2016 Deng B, Chernatynskiy A, Sinnott SB, Phillpot SR. Thermal transport at (001) twist grain boundaries in UO2 Journal of Nuclear Materials. 479: 167-173. DOI: 10.1016/j.jnucmat.2016.06.054  1
2016 Li Y, Chernatynskiy A, Kennedy JR, Sinnott SB, Phillpot SR. Lattice expansion by intrinsic defects in uranium by molecular dynamics simulation Journal of Nuclear Materials. 475: 6-18. DOI: 10.1016/j.jnucmat.2016.03.018  1
2016 Mathew K, Singh AK, Gabriel JJ, Choudhary K, Sinnott SB, Davydov AV, Tavazza F, Hennig RG. MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems Computational Materials Science. 122: 183-190. DOI: 10.1016/j.commatsci.2016.05.020  1
2016 Fonseca AF, Liang T, Zhang D, Choudhary K, Sinnott SB. Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide Computational Materials Science. 114: 236-243. DOI: 10.1016/j.commatsci.2015.12.030  1
2016 Choudhary K, Liang T, Mathew K, Revard B, Chernatynskiy A, Phillpot SR, Hennig RG, Sinnott SB. Dynamical properties of AlN nanostructures and heterogeneous interfaces predicted using COMB potentials Computational Materials Science. 113: 80-87. DOI: 10.1016/j.commatsci.2015.11.025  1
2015 Srinivasan S, Broderick SR, Zhang R, Mishra A, Sinnott SB, Saxena SK, LeBeau JM, Rajan K. Mapping Chemical Selection Pathways for Designing Multicomponent Alloys: an informatics framework for materials design. Scientific Reports. 5: 17960. PMID 26681142 DOI: 10.1038/srep17960  1
2015 Kumar A, Chernatynskiy A, Liang T, Choudhary K, Noordhoek MJ, Cheng YT, Phillpot SR, Sinnott SB. Charge optimized many-body (COMB) potential for dynamical simulation of Ni-Al phases. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 336302. PMID 26234209 DOI: 10.1088/0953-8984/27/33/336302  1
2015 Choudhary K, Liang T, Chernatynskiy A, Phillpot SR, Sinnott SB. Charge optimized many-body (COMB) potential for Al2O3 materials, interfaces, and nanostructures. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 305004. PMID 26151746 DOI: 10.1088/0953-8984/27/30/305004  1
2015 Choudhary K, Liang T, Chernatynskiy A, Lu Z, Goyal A, Phillpot SR, Sinnott SB. Charge optimized many-body potential for aluminum. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 015003. PMID 25407244 DOI: 10.1088/0953-8984/27/1/015003  1
2015 Antony AC, Akhade SA, Liang T, Janik MJ, Maranas JM, Sinnott SB. Simulating an applied voltage in molecular dynamics using charge optimized many body (COMB3) potential Ecs Transactions. 69: 103-105. DOI: 10.1149/06901.0103ecst  1
2015 Kumar A, Chernatynskiy A, Liang T, Choudhary K, Noordhoek MJ, Cheng YT, Phillpot SR, Sinnott SB. Charge optimized many-body (COMB) potential for dynamical simulation of Ni-Al phases Journal of Physics Condensed Matter. 27. DOI: 10.1088/0953-8984/27/33/336302  1
2015 Choudhary K, Liang T, Chernatynskiy A, Phillpot SR, Sinnott SB. Charge optimized many-body (COMB) potential for Al2O3 materials, interfaces, and nanostructures Journal of Physics Condensed Matter. 27. DOI: 10.1088/0953-8984/27/30/305004  1
2015 Choudhary K, Chernatynskiy A, Mathew K, Bucholz EW, Phillpot SR, Sinnott SB, Hennig RG. Computational discovery of lanthanide doped and Co-doped Y3Al5O12 for optoelectronic applications Applied Physics Letters. 107. DOI: 10.1063/1.4929434  1
2015 Oni AA, Sang X, Raju SV, Dumpala S, Broderick S, Kumar A, Sinnott S, Saxena S, Rajan K, Lebeau JM. Large area strain analysis using scanning transmission electron microscopy across multiple images Applied Physics Letters. 106. DOI: 10.1063/1.4905368  1
2015 Lu Z, Chernatynskiy A, Noordhoek MJ, Sinnott SB, Phillpot SR. Nanoindentation of Zr by molecular dynamics simulation Journal of Nuclear Materials. 467: 742-757. DOI: 10.1016/j.jnucmat.2015.10.042  1
2015 Lu Z, Noordhoek MJ, Chernatynskiy A, Sinnott SB, Phillpot SR. Deformation processes in polycrystalline Zr by molecular dynamics simulations Journal of Nuclear Materials. 462: 147-159. DOI: 10.1016/j.jnucmat.2015.03.048  1
2015 Martinez JA, Chernatynskiy A, Yilmaz DE, Liang T, Sinnott SB, Phillpot SR. Potential Optimization Software for Materials (POSMat) Computer Physics Communications. DOI: 10.1016/j.cpc.2016.01.015  1
2015 Kumar A, Chernatynskiy A, Hong M, Phillpot SR, Sinnott SB. An ab initio investigation of the effect of alloying elements on the elastic properties and magnetic behavior of Ni3Al Computational Materials Science. 101: 39-46. DOI: 10.1016/j.commatsci.2015.01.007  1
2015 Chiang TW, Chernatynskiy A, Noordhoek MJ, Sinnott SB, Phillpot SR. Anisotropy in oxidation of zirconium surfaces from density functional theory calculations Computational Materials Science. 98: 112-116. DOI: 10.1016/j.commatsci.2014.10.052  1
2015 Barry PR, Chiu PY, Perry SS, Sawyer WG, Sinnott SB, Phillpot SR. Effect of Temperature on the Friction and Wear of PTFE by Atomic-Level Simulation Tribology Letters. 58. DOI: 10.1007/s11249-015-0529-y  1
2015 Jones JL, LeBeau JM, Nikkel J, Oni AA, Dycus JH, Cozzan C, Lin FY, Chernatynskiy A, Nino JC, Sinnott SB, Mhin S, Brennecka GL, Ihlefeld J. Combined Experimental and Computational Methods Reveal the Evolution of Buried Interfaces during Synthesis of Ferroelectric Thin Films Advanced Materials Interfaces. 2. DOI: 10.1002/admi.201500181  1
2014 Cheng YT, Shan TR, Liang T, Behera RK, Phillpot SR, Sinnott SB. A charge optimized many-body (COMB) potential for titanium and titania. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 315007. PMID 24943265 DOI: 10.1088/0953-8984/26/31/315007  1
2014 Cheng YT, Liang T, Martinez JA, Phillpot SR, Sinnott SB. A charge optimized many-body potential for titanium nitride (TiN). Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 265004. PMID 24903100 DOI: 10.1088/0953-8984/26/26/265004  1
2014 Anand N, Buvaev S, Hebard AF, Tanner DB, Chen Z, Li Z, Choudhary K, Sinnott SB, Gu G, Martin C. Temperature-driven band inversion in Pb0.77Sn0.23Se: Optical and Hall effect studies Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.235143  1
2014 Choudhary K, Liang T, Chernatynskiy A, Lu Z, Goyal A, Phillpot SR, Sinnott SB. Charge optimized many-body potential for aluminum Journal of Physics Condensed Matter. 27. DOI: 10.1088/0953-8984/27/1/015003  1
2014 Cheng YT, Shan TR, Liang T, Behera RK, Phillpot SR, Sinnott SB. A charge optimized many-body (comb) potential for titanium and titania Journal of Physics Condensed Matter. 26. DOI: 10.1088/0953-8984/26/31/315007  1
2014 Spivey JJ, Krishna KS, Kumar CSSR, Dooley KM, Flake JC, Haber LH, Xu Y, Janik MJ, Sinnott SB, Cheng YT, Liang T, Sholl DS, Manz TA, Diebold U, Parkinson GS, et al. Synthesis, characterization, and computation of catalysts at the center for atomic-level catalyst design Journal of Physical Chemistry C. 118: 20043-20069. DOI: 10.1021/jp502556u  1
2014 Han H, Hong M, Gokhale SS, Sinnott SB, Jordan K, Baciak JE, Nino JC. Defect engineering of BiI3 single crystals: Enhanced electrical and radiation performance for room temperature gamma-ray detection Journal of Physical Chemistry C. 118: 3244-3250. DOI: 10.1021/jp411201k  1
2014 Hong M, Lee DH, Phillpot SR, Sinnott SB. A mechanism for TiO2 formation on stepped TiN(001) from first-principles calculations Journal of Physical Chemistry C. 118: 384-388. DOI: 10.1021/jp409494q  1
2014 Oni AA, Sang X, Kumar A, Raju SV, Srinivasan S, Sinnott S, Saxena S, Rajan K, Lebeau JM. Direct lattice parameter measurements using HAADF-STEM Microscopy and Microanalysis. 20: 1050-1051. DOI: 10.1017/S1431927614006977  1
2014 Cheng YT, Liang T, Nie X, Choudhary K, Phillpot SR, Asthagiri A, Sinnott SB. Cu cluster deposition on ZnO 10 1 ̄ 0: Morphology and growth mode predicted from molecular dynamics simulations Surface Science. 621: 109-116. DOI: 10.1016/j.susc.2013.10.025  1
2014 Lee CW, Chernatynskiy A, Shukla P, Stoller RE, Sinnott SB, Phillpot SR. Effect of pores and He bubbles on the thermal transport properties of UO2 by molecular dynamics simulation Journal of Nuclear Materials. 456: 253-259. DOI: 10.1016/j.jnucmat.2014.09.052  1
2014 Noordhoek MJ, Liang T, Chiang TW, Sinnott SB, Phillpot SR. Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials Journal of Nuclear Materials. 452: 285-295. DOI: 10.1016/j.jnucmat.2014.05.023  1
2014 Chiang TW, Chernatynskiy A, Sinnott SB, Phillpot SR. Interaction between voids and grain boundaries in UO2 by molecular-dynamics simulation Journal of Nuclear Materials. 448: 53-61. DOI: 10.1016/j.jnucmat.2014.01.027  1
2014 Liang T, Cheng YT, Nie X, Luo W, Asthagiri A, Janik MJ, Andrews E, Flake J, Sinnott SB. Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(101̄0) using charge optimized many body potentials Catalysis Communications. 52: 84-87. DOI: 10.1016/j.catcom.2013.11.033  1
2014 Sinnott SB, Uberuaga BP. Role of atomistic simulations in understanding fission product accommodation in ceramic nuclear fuel American Ceramic Society Bulletin. 93: 28-32.  1
2013 Li Y, Liang T, Sinnott SB, Phillpot SR. A charge-optimized many-body potential for the U-UO2-O 2 system Journal of Physics Condensed Matter. 25. PMID 24275484 DOI: 10.1088/0953-8984/25/50/505401  1
2013 Liang T, Shin YK, Cheng YT, Yilmaz DE, Vishnu KG, Verners O, Zou C, Phillpot SR, Sinnott SB, Van Duin ACT. Reactive potentials for advanced atomistic simulations Annual Review of Materials Research. 43: 109-129. DOI: 10.1146/annurev-matsci-071312-121610  1
2013 Choudhary K, Hill LB, Kemper TW, Sinnott SB. Mechanisms for hyperthermal polyatomic hydrocarbon modification of PMMA surfaces from molecular dynamics simulations Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 31. DOI: 10.1116/1.4823477  1
2013 Sinnott SB. Material design and discovery with computational materials science Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 31. DOI: 10.1116/1.4813689  1
2013 Bucholz EW, Sinnott SB. Structural effects on mechanical response of MoS2 nanostructures during compression Journal of Applied Physics. 114. DOI: 10.1063/1.4815879  1
2013 Hong M, Uberuaga BP, Phillpot SR, Andersson DA, Stanek CR, Sinnott SB. The role of charge and ionic radius on fission product segregation to a model UO2 grain boundary Journal of Applied Physics. 113. DOI: 10.1063/1.4798347  1
2013 Bucholz EW, Sinnott SB. Computational investigation of the mechanical and tribological responses of amorphous carbon nanoparticles Journal of Applied Physics. 113. DOI: 10.1063/1.4792753  1
2013 Patterson MC, Nie X, Wang F, Kurtz RL, Sinnott SB, Asthagiri A, Sprunger PT. Growth and structure of Cu and Au on the nonpolar ZnO(101̄0) surface: STM, XPS, and DFT studies Journal of Physical Chemistry C. 117: 18386-18397. DOI: 10.1021/jp4037809  1
2013 Choudhary K, Hill LB, Glosser C, Kemper TW, Bucholz EW, Sinnott SB. Atomic-scale quantification of the chemical modification of polystyrene through S, SC, and SH deposition from molecular dynamics simulations Journal of Physical Chemistry C. 117: 12103-12110. DOI: 10.1021/jp401143h  1
2013 Hong M, Wohlwend JL, Behera RK, Phillpot SR, Sinnott SB, Uberuaga BP. Surface diffusion on SrTiO3 (100): A temperature accelerated dynamics and first principles study Surface Science. 617: 237-241. DOI: 10.1016/j.susc.2013.08.002  1
2013 Liang T, Shan TR, Cheng YT, Devine BD, Noordhoek M, Li Y, Lu Z, Phillpot SR, Sinnott SB. Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials Materials Science and Engineering R: Reports. 74: 255-279. DOI: 10.1016/j.mser.2013.07.001  1
2013 Noordhoek MJ, Liang T, Lu Z, Shan TR, Sinnott SB, Phillpot SR. Charge-optimized many-body (COMB) potential for zirconium Journal of Nuclear Materials. 441: 274-279. DOI: 10.1016/j.jnucmat.2013.06.004  1
2013 Goyal A, Rudzik T, Deng B, Hong M, Chernatynskiy A, Sinnott SB, Phillpot SR. Segregation of ruthenium to edge dislocations in uranium dioxide Journal of Nuclear Materials. 441: 96-102. DOI: 10.1016/j.jnucmat.2013.05.031  1
2013 Deng B, Chernatynskiy A, Shukla P, Sinnott SB, Phillpot SR. Effects of edge dislocations on thermal transport in UO2 Journal of Nuclear Materials. 434: 203-209. DOI: 10.1016/j.jnucmat.2012.11.043  1
2013 Tadmor EB, Elliott RS, Phillpot SR, Sinnott SB. NSF cyberinfrastructures: A new paradigm for advancing materials simulation Current Opinion in Solid State and Materials Science. 17: 298-304. DOI: 10.1016/j.cossms.2013.10.004  1
2013 Martinez JA, Yilmaz DE, Liang T, Sinnott SB, Phillpot SR. Fitting empirical potentials: Challenges and methodologies Current Opinion in Solid State and Materials Science. 17: 263-270. DOI: 10.1016/j.cossms.2013.09.001  1
2013 Hong M, Uberuaga BP, Andersson DA, Stanek CR, Phillpot SR, Sinnott SB. Role of electronic effects on the incorporation of Cr at a Σ5 grain boundary in UO2 Computational Materials Science. 78: 29-33. DOI: 10.1016/j.commatsci.2013.05.008  1
2012 Polvi J, Luukkonen P, Nordlund K, Järvi TT, Kemper TW, Sinnott SB. Primary radiation defect production in polyethylene and cellulose Journal of Physical Chemistry B. 116: 13932-13938. PMID 23131061 DOI: 10.1021/jp309979p  1
2012 Lahouij I, Bucholz EW, Vacher B, Sinnott SB, Martin JM, Dassenoy F. Lubrication mechanisms of hollow-core inorganic fullerene-like nanoparticles: coupling experimental and computational works. Nanotechnology. 23: 375701. PMID 22922644 DOI: 10.1088/0957-4484/23/37/375701  1
2012 Liang T, Devine B, Phillpot SR, Sinnott SB. Variable charge reactive potential for hydrocarbons to simulate organic-copper interactions. The Journal of Physical Chemistry. A. 116: 7976-91. PMID 22738218 DOI: 10.1021/jp212083t  1
2012 Li Y, Shan TR, Liang T, Sinnott SB, Phillpot SR. Classical interatomic potential for orthorhombic uranium. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 235403. PMID 22576045 DOI: 10.1088/0953-8984/24/23/235403  1
2012 Shin YK, Shan TR, Liang T, Noordhoek MJ, Sinnott SB, Van Duin ACT, Phillpot SR. Variable charge many-body interatomic potentials Mrs Bulletin. 37: 504-512. DOI: 10.1557/mrs.2012.95  1
2012 Sinnott SB, Brenner DW. Three decades of many-body potentials in materials research Mrs Bulletin. 37: 469-473. DOI: 10.1557/mrs.2012.88  1
2012 Hong M, Phillpot SR, Lee CW, Nerikar P, Uberuaga BP, Stanek CR, Sinnott SB. Solubility and clustering of ruthenium fission products in uranium dioxide as determined by density functional theory Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.144110  1
2012 Li Y, Shan TR, Liang T, Sinnott SB, Phillpot SR. Classical interatomic potential for orthorhombic uranium Journal of Physics Condensed Matter. 24. DOI: 10.1088/0953-8984/24/23/235403  1
2012 Bucholz EW, Sinnott SB. Mechanical behavior of MoS2 nanotubes under compression, tension, and torsion from molecular dynamics simulations Journal of Applied Physics. 112. DOI: 10.1063/1.4769739  1
2012 Pleticha FD, Lee D, Sinnott SB, Bolotin IL, Majeski MW, Hanley L. Acetylene ion enhanced bonding of PbS nanoparticles to quaterthiophene in thin films Journal of Physical Chemistry C. 116: 21693-21698. DOI: 10.1021/jp306668k  1
2012 Liang T, Devine B, Phillpot SR, Sinnott SB. Variable charge reactive potential for hydrocarbons to simulate organic-copper interactions Journal of Physical Chemistry A. 116: 7976-7991. DOI: 10.1021/jp212083t  1
2012 Cheng YT, Shan TR, Devine B, Lee D, Liang T, Hinojosa BB, Phillpot SR, Asthagiri A, Sinnott SB. Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials Surface Science. 606: 1280-1288. DOI: 10.1016/j.susc.2012.04.007  1
2012 Bucholz EW, Phillpot SR, Sinnott SB. Molecular dynamics investigation of the lubrication mechanism of carbon nano-onions Computational Materials Science. 54: 91-96. DOI: 10.1016/j.commatsci.2011.09.036  1
2012 Wang J, Kemper T, Liang T, Sinnott SB. Predicted mechanical properties of a coiled carbon nanotube Carbon. 50: 968-976. DOI: 10.1016/j.carbon.2011.09.060  1
2012 Bucholz EW, Kong CS, Marchman KR, Sawyer WG, Phillpot SR, Sinnott SB, Rajan K. Data-driven model for estimation of friction coefficient via informatics methods Tribology Letters. 47: 211-221. DOI: 10.1007/s11249-012-9975-y  1
2012 Bucholz EW, Zhao X, Sinnott SB, Perry SS. Friction and wear of pyrophyllite on the atomic scale Tribology Letters. 46: 159-165. DOI: 10.1007/s11249-012-9927-6  1
2012 Chiu PY, Vail JR, Barry PR, Perry SS, Phillpot SR, Sawyer WG, Sinnott SB. Design of low wear polymer composites Tribology Letters. 45: 79-87. DOI: 10.1007/s11249-011-9860-0  1
2012 Chernatynskiy A, Flint C, Sinnott SB, Phillpot SR. Critical assessment of UO2 classical potentials for thermal conductivity calculations Journal of Materials Science. 47: 7693-7702. DOI: 10.1007/s10853-011-6230-0  1
2012 Kemper TW, Sinnott SB. Hyperthermal atomic oxygen and argon modification of polymer surfaces investigated by molecular dynamics simulations Plasma Processes and Polymers. 9: 690-700. DOI: 10.1002/ppap.201100197  1
2011 Barry PR, Chiu PY, Perry SS, Sawyer WG, Phillpot SR, Sinnott SB. Effect of fluorocarbon molecules confined between sliding self-mated PTFE surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 9910-9. PMID 21728348 DOI: 10.1021/la201269c  1
2011 Morton M, Barron J, Kemper T, Sinnott S, Iordanova N. Modeling reaction pathways of low energy particle deposition on polymer surfaces via first principle calculations. The Journal of Physical Chemistry. A. 115: 4976-87. PMID 21526747 DOI: 10.1021/jp111869t  1
2011 Behera RK, Lee CW, Lee D, Morozovska AN, Sinnott SB, Asthagiri A, Gopalan V, Phillpot SR. Structure and energetics of 180° domain walls in PbTiO3 by density functional theory. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 23: 175902. PMID 21493969 DOI: 10.1088/0953-8984/23/17/175902  1
2011 Lee CW, Behera RK, Okamoto S, Devanathan R, Wachsman ED, Phillpot SR, Sinnott SB. Stabilization mechanisms of LaFeO3 (010) surfaces determined with first principles calculations Journal of the American Ceramic Society. 94: 1931-1939. DOI: 10.1111/j.1551-2916.2010.04318.x  1
2011 Nerikar PV, Rudman K, Desai TG, Byler D, Unal C, McClellan KJ, Phillpot SR, Sinnott SB, Peralta P, Uberuaga BP, Stanek CR. Grain boundaries in uranium dioxide: Scanning electron microscopy experiments and atomistic simulations Journal of the American Ceramic Society. 94: 1893-1900. DOI: 10.1111/j.1551-2916.2010.04295.x  1
2011 Nerikar PV, Parfitt DC, Casillas Trujillo LA, Andersson DA, Unal C, Sinnott SB, Grimes RW, Uberuaga BP, Stanek CR. Segregation of xenon to dislocations and grain boundaries in uranium dioxide Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.174105  1
2011 Devine B, Shan TR, Cheng YT, McGaughey AJH, Lee M, Phillpot SR, Sinnott SB. Atomistic simulations of copper oxidation and Cu/Cu2O interfaces using charge-optimized many-body potentials Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.125308  1
2011 Fonseca AF, Lee G, Borders TL, Zhang H, Kemper TW, Shan TR, Sinnott SB, Cho K. Reparameterization of the REBO-CHO potential for graphene oxide molecular dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.075460  1
2011 Lee CW, Behera RK, Wachsman ED, Phillpot SR, Sinnott SB. Stoichiometry of the LaFeO3 (010) surface determined from first-principles and thermodynamic calculations Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.115418  1
2011 Shan TR, Devine BD, Phillpot SR, Sinnott SB. Molecular dynamics study of the adhesion of Cu/SiO2 interfaces using a variable-charge interatomic potential Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.115327  1
2011 Barry PR, Chiu PY, Perry SS, Sawyer WG, Phillpot SR, Sinnott SB. Effect of fluorocarbon molecules confined between sliding self-mated PTFE surfaces Langmuir. 27: 9910-9919. DOI: 10.1021/la201269c  1
2011 Kemper TW, Sinnott SB. Mechanisms of ion-beam modification of terthiophene oligomers from atomistic simulations Journal of Physical Chemistry C. 115: 23936-23945. DOI: 10.1021/jp209131c  1
2011 Liang T, Sawyer WG, Perry SS, Sinnott SB, Phillpot SR. Energetics of oxidation in MoS2 nanoparticles by density functional theory Journal of Physical Chemistry C. 115: 10606-10616. DOI: 10.1021/jp110562n  1
2011 Crenshaw JD, Phillpot SR, Iordanova N, Sinnott SB. Modeling reaction pathways of low energy particle deposition on thiophene via ab initio calculations Chemical Physics Letters. 510: 197-201. DOI: 10.1016/j.cplett.2011.05.044  1
2011 Chiu PY, Barry PR, Perry SS, Sawyer WG, Phillpot SR, Sinnott SB. Influence of the molecular level structure of polyethylene and polytetrafluoroethylene on their tribological response Tribology Letters. 42: 193-201. DOI: 10.1007/s11249-011-9763-0  1
2011 Shukla P, Chernatynskiy A, Nino JC, Sinnott SB, Phillpot SR. Effect of inversion on thermoelastic and thermal transport properties of MgAl2O4 spinel by atomistic simulation Journal of Materials Science. 46: 55-62. DOI: 10.1007/s10853-010-4795-7  1
2010 Xu H, Lee D, Sinnott SB, Dierolf V, Gopalan V, Phillpot SR. Structure and diffusion of intrinsic defect complexes in LiNbO₃ from density functional theory calculations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 135002. PMID 21389505 DOI: 10.1088/0953-8984/22/13/135002  1
2010 Wohlwend JL, Phillpot SR, Sinnott SB. Molecular dynamics simulations of SrTiO3 thin-film growth from cluster deposition. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 045001. PMID 21386303 DOI: 10.1088/0953-8984/22/4/045001  1
2010 Chiu PY, Shah K, Sinnott SB. Nanoindentation of surfactant aggregates. Journal of Colloid and Interface Science. 349: 196-204. PMID 20554291 DOI: 10.1016/j.jcis.2010.05.074  0.6
2010 Wohlwend JL, Boswell-Koller CN, Phillpot SR, Sinnott SB. Molecular dynamics simulation of metal oxide growth on SiTiO3 Proceedings of Spie - the International Society For Optical Engineering. 7603. DOI: 10.1117/12.844890  1
2010 Shan TR, Devine BD, Hawkins JM, Asthagiri A, Phillpot SR, Sinnott SB. Second-generation charge-optimized many-body potential for Si/ SiO 2 and amorphous silica Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.235302  1
2010 Xu H, Chernatynskiy A, Lee D, Sinnott SB, Gopalan V, Dierolf V, Phillpot SR. Stability and charge transfer levels of extrinsic defects in LiNbO 3 Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.184109  1
2010 Shan TR, Devine BD, Kemper TW, Sinnott SB, Phillpot SR. Charge-optimized many-body potential for the hafnium/hafnium oxide system Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.125328  1
2010 Nerikar P, Stanek CR, Phillpot SR, Sinnott SB, Uberuaga BP. Intrinsic electrostatic effects in nanostructured ceramics Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.064111  1
2010 Wohlwend JL, Phillpot SR, Sinnott SB. Molecular dynamics simulations of SrTiO3 thin-film growth from cluster deposition Journal of Physics Condensed Matter. 22. DOI: 10.1088/0953-8984/22/4/045001  1
2010 Devine B, Jang I, Kemper T, Lee D, Gale JD, Iordanova N, Sinnott SB. Multilevel computational analysis of fluorocarbon polyatomic deposition on diamond Journal of Physical Chemistry C. 114: 12535-12544. DOI: 10.1021/jp100667n  1
2010 Xu H, Behera RK, Wang Y, Ebrahimi F, Sinnott SB, Wachsman ED, Phillpot SR. A critical assessment of interatomic potentials for ceria with application to its elastic properties Solid State Ionics. 181: 551-556. DOI: 10.1016/j.ssi.2010.02.023  1
2010 Djurabekova F, Backholm M, Backman M, Pakarinen OH, Keinonen J, Nordlund K, Shan TR, Devine BD, Sinnott SB. Amorphization of α-quartz and comparative study of defects in amorphized quartz and Si nanocrystals embedded in amorphous silica Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 268: 3095-3098. DOI: 10.1016/j.nimb.2010.05.056  1
2010 Chiu PY, Shah K, Sinnott SB. Nanoindentation of surfactant aggregates Journal of Colloid and Interface Science. 349: 196-204. DOI: 10.1016/j.jcis.2010.05.074  1
2010 Jeong BW, Sinnott SB. Unique buckling responses of multi-walled carbon nanotubes incorporated as torsion springs Carbon. 48: 1697-1701. DOI: 10.1016/j.carbon.2009.12.048  1
2010 Aidhy DS, Sinnott SB, Wachsman ED, Phillpot SR. Effect of ionic polarizability on oxygen diffusion in δ-Bi2O3 from atomistic simulation Ionics. 16: 297-303. DOI: 10.1007/s11581-010-0430-5  1
2010 Joly-Pottuz L, Bucholz EW, Matsumoto N, Phillpot SR, Sinnott SB, Ohmae N, Martin JM. Friction properties of carbon nano-onions from experiment and computer simulations Tribology Letters. 37: 75-81. DOI: 10.1007/s11249-009-9492-9  1
2009 Barry PR, Chiu PY, Perry SS, Sawyer WG, Phillpot SR, Sinnott SB. The effect of normal load on polytetrafluoroethylene tribology. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 144201. PMID 21825318 DOI: 10.1088/0953-8984/21/14/144201  1
2009 Phillpot SR, Sinnott SB. Materials science. Simulating multifunctional structures. Science (New York, N.Y.). 325: 1634-5. PMID 19779181 DOI: 10.1126/science.1177794  1
2009 Zhao X, Phillpot SR, Sawyer WG, Sinnott SB, Perry SS. Transition from thermal to athermal friction under cryogenic conditions. Physical Review Letters. 102: 186102. PMID 19518889 DOI: 10.1103/PhysRevLett.102.186102  1
2009 Wohlwend JL, Boswell CN, Phillpot SR, Sinnott SB. A computational study of SrTiO 3 thin film deposition: Morphology and growth modes Journal of Materials Research. 24: 1994-2000. DOI: 10.1557/jmr.2009.0229  1
2009 Zheng Y, Pregler SK, Myers JD, Ouyang J, Sinnott SB, Xue J. Computational and experimental studies of phase separation in pentacene: C 60 mixtures Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures. 27: 169-179. DOI: 10.1116/1.3072516  1
2009 Watanabe T, Srivilliputhur SG, Schelling PK, Tulenko JS, Sinnott SB, Phillpot SR. Thermal transport in off-stoichiometric uranium dioxide by atomic level simulation Journal of the American Ceramic Society. 92: 850-856. DOI: 10.1111/j.1551-2916.2009.02966.x  1
2009 Xu H, Lee D, Sinnott SB, Gopalan V, Dierolf V, Phillpot SR. Structure and energetics of Er defects in LiNbO3 from first-principles and thermodynamic calculations Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.144104  1
2009 Lee D, Behera RK, Wu P, Xu H, Sinnott SB, Phillpot SR, Chen LQ, Gopalan V. Mixed Bloch-Néel-Ising character of 180°ferroelectric domain walls Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.060102  1
2009 Liang T, Phillpot SR, Sinnott SB. Parametrization of a reactive many-body potential for Mo-S systems Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.245110  1
2009 Nerikar PV, Liu XY, Uberuaga BP, Stanek CR, Phillpot SR, Sinnott SB. Thermodynamics of fission products in UO2±x Journal of Physics Condensed Matter. 21. DOI: 10.1088/0953-8984/21/43/435602  1
2009 Yu J, Sinnott SB, Phillpot SR. Optimized many body potential for fcc metals Philosophical Magazine Letters. 89: 136-144. DOI: 10.1080/09500830802684114  1
2009 Jeong BW, Sinnott SB. A torsional parametric oscillator based on carbon nanotubes Applied Physics Letters. 95. DOI: 10.1063/1.3211123  1
2009 Hsu WD, Fell C, Pregler S, Sinnott SB. Chemical modification of polypropylene and polystyrene through fluorocarbon ion beam deposition Journal of Physical Chemistry C. 113: 17860-17865. DOI: 10.1021/jp904833w  1
2009 Wohlwend JL, Behera RK, Jang I, Phillpot SR, Sinnott SB. Morphology and growth modes of metal-oxides deposited on SrTiO3 Surface Science. 603: 873-880. DOI: 10.1016/j.susc.2009.01.035  1
2009 Su YT, Shan TR, Sinnott SB. Modification of poly(methyl methacrylate) by keV Ar deposition Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 267: 2525-2531. DOI: 10.1016/j.nimb.2009.06.008  1
2009 Aidhy DS, Sinnott SB, Wachsman ED, Phillpot SR, Nino JC. Structure of δ-Bi2O3 from density functional theory: A systematic crystallographic analysis Journal of Solid State Chemistry. 182: 1222-1228. DOI: 10.1016/j.jssc.2009.02.019  1
2009 Nerikar P, Watanabe T, Tulenko JS, Phillpot SR, Sinnott SB. Energetics of intrinsic point defects in uranium dioxide from electronic-structure calculations Journal of Nuclear Materials. 384: 61-69. DOI: 10.1016/j.jnucmat.2008.10.003  1
2009 Heo S, Sinnott SB. Computational investigation of the mechanical properties of nanomaterials Diamond and Related Materials. 18: 438-442. DOI: 10.1016/j.diamond.2008.10.041  1
2009 Li X, Finnis MW, He J, Behera RK, Phillpot SR, Sinnott SB, Dickey EC. Energetics of charged point defects in rutile TiO2 by density functional theory Acta Materialia. 57: 5882-5891. DOI: 10.1016/j.actamat.2009.08.014  1
2009 Martin JM, Joly-Pottuz L, Ohmae N, Matsumoto N, Bucholz EW, Sinnott SB. Carbon nano-onions as lubricants. An experimental and computational investigation Society of Tribologists and Lubrication Engineers Annual Meeting and Exhibition 2009. 181-183.  1
2009 Martin JM, Joly-Pottuz L, Ohmae N, Bucholz EW, Sinnott SB. Lubricating properties of carbon nano-onions World Tribology Congress 2009 - Proceedings. 359.  1
2009 Vega DA, Watanabe T, Sinnott SB, Phillpot SR, Tulenko JS. Toward an atomistically informed fuel performance code: Thermal properties using FRAPCON and molecular dynamics simulation Nuclear Technology. 165: 308-312.  1
2008 Aidhy DS, Nino JC, Sinnott SB, Wachsman ED, Phillpotw SR. Vacancy-ordered structure of cubic bismuth oxide from simulation and crystallographic analysis Journal of the American Ceramic Society. 91: 2349-2356. DOI: 10.1111/j.1551-2916.2008.02463.x  1
2008 Xu H, Lee D, He J, Sinnott SB, Gopalan V, Dierolf V, Phillpot SR. Stability of intrinsic defects and defect clusters in LiNbO3 from density functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.174103  1
2008 Liang T, Sawyer WG, Perry SS, Sinnott SB, Phillpot SR. First-principles determination of static potential energy surfaces for atomic friction in Mo S2 and Mo O3 Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.104105  1
2008 Behera RK, Hinojosa BB, Sinnott SB, Asthagiri A, Phillpot SR. Coupling of surface relaxation and polarization in PbTiO3 from atomistic simulation Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/39/395004  1
2008 Sawyer WG, Perry SS, Phillpot SR, Sinnott SB. Integrating experimental and simulation length and time scales in mechanistic studies of friction Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/35/354012  1
2008 Jeong BW, Lim JK, Sinnott SB. Tuning the torsional properties of carbon nanotube systems with axial prestress Applied Physics Letters. 92. DOI: 10.1063/1.2945665  1
2008 Heo SJ, Jang I, Barry PR, Phillpot SR, Perry SS, Sawyer WG, Sinnott SB. Effect of the sliding orientation on the tribological properties of polyethylene in molecular dynamics simulations Journal of Applied Physics. 103. DOI: 10.1063/1.2900884  1
2008 Watanabe T, Sinnott SB, Tulenko JS, Grimes RW, Schelling PK, Phillpot SR. Thermal transport properties of uranium dioxide by molecular dynamics simulations Journal of Nuclear Materials. 375: 388-396. DOI: 10.1016/j.jnucmat.2008.01.016  1
2008 Pregler SK, Jeong BW, Sinnott SB. Ar beam modification of nanotube based composites using molecular dynamics simulations Composites Science and Technology. 68: 2049-2055. DOI: 10.1016/j.compscitech.2008.02.037  1
2008 Sinnott SB, Heo SJ, Brenner DW, Harrison JA. Computer simulations of nanometer-scale indentation and friction Nanotribology and Nanomechanics (Second Edition): An Introduction. 655-740. DOI: 10.1007/978-3-540-77608-6_13  1
2008 Nerikar P, Watanabe T, Phillpot SR, Sinnott SB. Unified approach to the thermodynamics of fission products in uranium oxide Transactions of the American Nuclear Society. 98: 640-641.  1
2008 Vega DA, Watanabe T, Sinnott SB, Phillpot SR, Tulenko JS. Atomistically informed fuel-performance codes: A proof of principle using FRAPCON and molecular dynamics simulation Transactions of the American Nuclear Society. 98: 1144-1145.  1
2007 Heo S, Sinnott SB. Investigation of the influence of thermostat configurations on the mechanical properties of carbon nanotubes in molecular dynamics simulations. Journal of Nanoscience and Nanotechnology. 7: 1518-24. PMID 17450920 DOI: 10.1166/jnn.2007.335  1
2007 Hsu WD, Ichihashi M, Kondow T, Sinnott SB. Ab initio molecular dynamics study of methanol adsorption on copper clusters. The Journal of Physical Chemistry. A. 111: 441-9. PMID 17228892 DOI: 10.1021/jp065669s  1
2007 Phillpot SR, Sinnott SB, Asthagiri A. Atomic-level simulation of ferroelectricity in oxides: Current status and opportunities Annual Review of Materials Research. 37: 239-270. DOI: 10.1146/annurev.matsci.37.052506.084206  1
2007 Hsu WD, Jang I, Sinnott SB. Chemical modification of the poly(vinylidene fluoride-trifluoroethylene) copolymer surface through fluorocarbon ion beam deposition Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 25: 1084-1092. DOI: 10.1116/1.2721572  1
2007 Yu J, Phillpot SR, Sinnott SB. Interatomic potential for the structure and energetics of tetrahedrally coordinated silica polymorphs Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.233203  1
2007 Yu J, Sinnott SB, Phillpot SR. Charge optimized many-body potential for the Si/SiO2 system Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.085311  1
2007 Jeong BW, Lim JK, Sinnott SB. Multiscale-failure criteria of carbon nanotube systems under biaxial tension-torsion Nanotechnology. 18. DOI: 10.1088/0957-4484/18/48/485715  1
2007 Jang I, Burris DL, Dickrell PL, Barry PR, Santos C, Perry SS, Phillpot SR, Sinnott SB, Sawyer WG. Sliding orientation effects on the tribological properties of polytetrafluoroethylene Journal of Applied Physics. 102. DOI: 10.1063/1.2821743  1
2007 Heo S, Sinnott SB. Effect of molecular interactions on carbon nanotube friction Journal of Applied Physics. 102. DOI: 10.1063/1.2784007  1
2007 Jeong BW, Lim JK, Sinnott SB. Torsional stiffening of carbon nanotube systems Applied Physics Letters. 91. DOI: 10.1063/1.2775832  1
2007 Jeong BW, Lim JK, Sinnott SB. Elastic torsional responses of carbon nanotube systems Journal of Applied Physics. 101. DOI: 10.1063/1.2717138  1
2007 Jeong BW, Lim JK, Sinnott SB. Tensile mechanical behavior of hollow and filled carbon nanotubes under tension or combined tension-torsion Applied Physics Letters. 90. DOI: 10.1063/1.2430490  1
2007 Hsu WD, Tepavcevic S, Hanley L, Sinnott SB. Mechanistic studies of surface polymerization by ion-assisted deposition Journal of Physical Chemistry C. 111: 4199-4208. DOI: 10.1021/jp067266y  1
2007 Pregler SK, Hayakawa T, Yasumatsu H, Kondow T, Sinnott SB. Combined computational and experimental study of Ar beam induced defect formation in graphite Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 262: 240-248. DOI: 10.1016/j.nimb.2007.05.030  1
2007 Irving DL, Devine BD, Sinnott SB. Computational study of steric effects on the optical properties of oligomers Journal of Luminescence. 126: 278-288. DOI: 10.1016/j.jlumin.2006.07.006  1
2007 He J, Behera RK, Finnis MW, Li X, Dickey EC, Phillpot SR, Sinnott SB. Prediction of high-temperature point defect formation in TiO2 from combined ab initio and thermodynamic calculations Acta Materialia. 55: 4325-4337. DOI: 10.1016/j.actamat.2007.04.005  1
2007 Barry PR, Jang I, Perry SS, Sawyer WG, Sinnott SB, Phillpot SR. Effect of simulation conditions on friction in polytetrafluoroethylene (PTFE) Journal of Computer-Aided Materials Design. 14: 239-246. DOI: 10.1007/s10820-007-9087-4  1
2007 Sinnott SB. Advances in the atomistic modeling of nanomaterials International Sampe Technical Conference 1
2006 Shah K, Chiu P, Sinnott SB. Comparison of morphology and mechanical properties of surfactant aggregates at water-silica and water-graphite interfaces from molecular dynamics simulations. Journal of Colloid and Interface Science. 296: 342-9. PMID 16183072 DOI: 10.1016/j.jcis.2005.08.060  1
2006 Irving DL, Sinnott SB, Wood RL. Relative stabilities of Ag multilayers on GaAs and GaSb determined from ab initio calculations Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.195403  1
2006 Pregler SK, Sinnott SB. Molecular dynamics simulations of electron and ion beam irradiation of multiwalled carbon nanotubes: The effects on failure by inner tube sliding Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.224106  1
2006 Park JH, Sinnott SB, Aluru NR. Ion separation using a Y-junction carbon nanotube Nanotechnology. 17: 895-900. DOI: 10.1088/0957-4484/17/3/046  1
2006 Hsu WD, Jang I, Sinnott SB. Computational investigation of the chemical modification of polystyrene through fluorocarbon and hydrocarbon ion beam deposition Chemistry of Materials. 18: 914-921. DOI: 10.1021/cm052557p  1
2006 Hu Y, Irving DL, Sinnott SB. Ion deposition induced modification of carbon nanopeapods: A computational study Chemical Physics Letters. 422: 137-141. DOI: 10.1016/j.cplett.2006.02.049  1
2006 Sinnott SB, Aluru NR. Carbon nanotubes as nanoelectromechanical systems components Carbon Nanotechnology. 361-488. DOI: 10.1016/B978-044451855-2/50016-4  1
2006 Tepavcevic S, Hsu WD, Sinnott SB, Hanley L. Morphology of polythiophene films produced via surface polymerization by ion-assisted deposition: A combined experimental and computational study Materials Research Society Symposium Proceedings. 937: 31-36.  1
2005 Trotter H, Phillips R, Ni B, Hu Y, Sinnott SB, Mikulski PT, Harrison JA. Effect of filling on the compressibility of carbon nanotubes: predictions from molecular dynamics simulations. Journal of Nanoscience and Nanotechnology. 5: 536-41. PMID 16004116 DOI: 10.1166/jnn.2005.081  1
2005 Shah K, Chiu P, Jain M, Fortes J, Moudgil B, Sinnott S. Morphology and mechanical properties of surfactant aggregates at water-silica interfaces: molecular dynamics simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 5337-42. PMID 15924458 DOI: 10.1021/la047145u  1
2005 Lee KH, Sinnott SB. Equilibrium and nonequilibrium transport of oxygen in carbon nanotubes. Nano Letters. 5: 793-8. PMID 15826130 DOI: 10.1021/nl0502219  1
2005 Lee KH, Keblinski P, Sinnott SB. Deflection of nanotubes in response to external atomic collisions. Nano Letters. 5: 263-8. PMID 15794608 DOI: 10.1021/nl0481829  1
2005 He J, Sinnott SB. Ab initio calculations of intrinsic defects in rutile TiO 2 Journal of the American Ceramic Society. 88: 737-741. DOI: 10.1111/j.1551-2916.2005.00107.x  1
2005 Dickrell PL, Sinnott SB, Hahn DW, Raravikar NR, Schadler LS, Ajayan PM, Sawyer WG. Frictional anisotropy of oriented carbon nanotube surfaces Tribology Letters. 18: 59-62. DOI: 10.1007/s11249-004-1752-0  1
2005 Heo SJ, Sinnott SB, Brenner DW, Harrison JA. Computational modeling of nanometer-scale tribology Nanotribology and Nanomechanics: An Introduction. 623-691. DOI: 10.1007/3-540-28248-3_13  1
2005 Jang I, Dickrell PL, Burris DL, Sawyer WG, Phillpot SR, Sinnott SB. Nano-tribology of a polytetrafluoroethylene transfer films using molecular dynamics simulation and microtribometry Proceedings of the World Tribology Congress Iii - 2005. 933-934.  1
2005 Jang I, Dickrell PL, Burris DL, Sawyer WG, Phillpot SR, Sinnott SB. Nano-tribology of a polytetrafluoroethylene transfer films using molecular dynamics simulation and microtribometry Proceedings of the World Tribology Congress Iii - 2005. 933-934.  1
2004 Ni B, Lee KH, Sinnott SB. A reactive empirical bond order (REBO) potential for hydrocarbon-oxygen interactions Journal of Physics Condensed Matter. 16: 7261-7275. DOI: 10.1088/0953-8984/16/41/008  1
2004 Jang I, Sinnott SB. Molecular dynamics simulations of the chemical modification of polystyrene through C xF y + beam deposition Journal of Physical Chemistry B. 108: 18993-19001. DOI: 10.1021/jp049283y  1
2002 Mao Z, Sinnott SB. Predictions of a spiral diffusion path for nonspherical organic molecules in carbon nanotubes. Physical Review Letters. 89: 278301. PMID 12513248  1
2002 Ni B, Sinnott SB, Mikulski PT, Harrison JA. Compression of carbon nanotubes filled with C60, CH4, or Ne: predictions from molecular dynamics simulations. Physical Review Letters. 88: 205505. PMID 12005578  1
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