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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