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Simon Phillpot - Publications

Affiliations: 
Materials Science and Engineering University of Florida, Gainesville, Gainesville, FL, United States 
Area:
Materials Science Engineering
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43 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 Lutsko JF, Wolf D, Phillpot SR, Yip S. Molecular-dynamics study of lattice-defect-nucleated melting in metals using an embedded-atom-method potential. Physical Review. B, Condensed Matter. 40: 2841-2855. PMID 9992214 DOI: 10.1103/Physrevb.40.2841  0.338
2019 Phillpot SR, Lutsko JF, Wolf D, Yip S. Molecular-dynamics study of lattice-defect-nucleated melting in silicon. Physical Review. B, Condensed Matter. 40: 2831-2840. PMID 9992213 DOI: 10.1103/Physrevb.40.2831  0.347
2019 Lutsko JF, Wolf D, Yip S, Phillpot SR, Nguyen T. Molecular-dynamics method for the simulation of bulk-solid interfaces at high temperatures. Physical Review. B, Condensed Matter. 38: 11572-11581. PMID 9946040 DOI: 10.1103/Physrevb.38.11572  0.315
2018 Li H, Qin Y, Cui W, Yao M, Wang X, Xu H, Phillpot SR. Effects of grain boundaries on irradiation-induced defects in tungsten by molecular dynamics simulations Journal of Iron and Steel Research International. 25: 200-206. DOI: 10.1007/S42243-018-0020-8  0.645
2015 Yao M, Cui W, Wang X, Xu H, Phillpot SR. Molecular dynamics simulation of initial radiation damage in tungsten Jinshu Xuebao/Acta Metallurgica Sinica. 51: 724-732. DOI: 10.11900/0412.1961.2014.00492  0.657
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  0.489
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  0.661
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  0.602
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  0.543
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  0.488
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  0.462
2013 Yao M, Gao X, Zeng W, Wang X, Xu H, Phillpot SR. Molecular dynamics study on temperature effect and radiation-deduced defect formation in hcp-Ti Jinshu Xuebao/Acta Metallurgica Sinica. 49: 530-536. DOI: 10.3724/SP.J.1037.2013.00007  0.644
2013 Podraza NJ, Qiu W, Hinojosa BB, Xu H, Motyka MA, Phillpot SR, Baciak JE, Trolier-Mckinstry S, Nino JC. Band gap and structure of single crystal BiI3: Resolving discrepancies in literature Journal of Applied Physics. 114. DOI: 10.1063/1.4813486  0.593
2013 Stone G, Lee D, Xu H, Phillpot SR, Dierolf V. Local probing of the interaction between intrinsic defects and ferroelectric domain walls in lithium niobate Applied Physics Letters. 102. DOI: 10.1063/1.4789779  0.735
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  0.677
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  0.51
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  0.542
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  0.765
2011 Crenshaw JD, Liang T, Hess H, Phillpot SR. A cellular automaton approach to the simulation of active self-assembly of kinesin-powered molecular shuttles Journal of Computational and Theoretical Nanoscience. 8: 1999-2005. DOI: 10.1166/Jctn.2011.1916  0.636
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  0.728
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  0.722
2011 Lee D, Xu H, Dierolf V, Gopalan V, Phillpot SR. Shape of ferroelectric domains in LiNbO3 and LiTaO3 from defect/domain-wall interactions Applied Physics Letters. 98. DOI: 10.1063/1.3560343  0.72
2011 Luria I, Crenshaw J, Downs M, Agarwal A, Seshadri SB, Gonzales J, Idan O, Kamcev J, Katira P, Pandey S, Nitta T, Phillpot SR, Hess H. Microtubule nanospool formation by active self-assembly is not initiated by thermal activation Soft Matter. 7: 3108-3115. DOI: 10.1039/C0Sm00802H  0.644
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  0.651
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  0.73
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  0.681
2010 Aravind VR, Morozovska AN, Bhattacharyya S, Lee D, Jesse S, Grinberg I, Li YL, Choudhury S, Wu P, Seal K, Rappe AM, Svechnikov SV, Eliseev EA, Phillpot SR, Chen LQ, et al. Correlated polarization switching in the proximity of a 180°domain wall Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.024111  0.56
2010 Lee D, Xu H, Dierolf V, Gopalan V, Phillpot SR. Structure and energetics of ferroelectric domain walls in LiNbO3 from atomic-level simulations Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.014104  0.725
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  0.746
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  0.633
2009 Millett PC, Aidhy DS, Desai T, Phillpot SR, Wolf D. Grain-boundary source/sink behavior for point defects: An atomistic simulation study International Journal of Materials Research. 100: 550-555. DOI: 10.3139/146.110072  0.656
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  0.685
2009 Aidhy DS, Millett PC, Desai T, Wolf D, Phillpot SR. Kinetically evolving irradiation-induced point defect clusters in UO2 by molecular dynamics simulation Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.104107  0.683
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  0.765
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  0.655
2009 Aidhy DS, Millett PC, Wolf D, Phillpot SR, Huang H. Kinetically driven point-defect clustering in irradiated MgO by molecular-dynamics simulation Scripta Materialia. 60: 691-694. DOI: 10.1016/J.Scriptamat.2008.12.052  0.659
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  0.638
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  0.69
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  0.731
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  0.676
2008 Shukla P, Watanabe T, Nino JC, Tulenko JS, Phillpot SR. Thermal transport properties of MgO and Nd2Zr2O7 pyrochlore by molecular dynamics simulation Journal of Nuclear Materials. 380: 1-7. DOI: 10.1016/J.Jnucmat.2008.06.043  0.617
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  0.68
1989 Wolf D, Phillpot S. Role of the densest lattice planes in the stability of crystalline interfaces: A computer simulation study☆ Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 107: 3-14. DOI: 10.1016/0921-5093(89)90370-5  0.329
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