Underline indicates current or past students/postdocs

Journal Publications

  1. T Chambers, K Thornton, “Teaching Computational Methods for Materials Discovery and Design” W Sun JOM, 1-3 (2023)
  2. G Huang, D Montiel, RD McAuliffe, GM Veith, K Thornton, “Phase-field modeling of solid-state metathesis reactions with the charge neutrality constraint” Computational Materials Science 221, 112080 (2023)
  3. V Goel, KH Chen, NP Dasgupta, K Thornton, “Optimization of laser-patterned electrode architectures for fast charging of Li-ion batteries using simulations parameterized by machine learning” Energy Storage Materials 57, 44-58 (2023)
  4. K Thornton, L Qi, BP Uberuaga, A Van der Ven, “Recent advances and future needs in computational approaches for materials discovery and development” MRS Communications 12 (6), 989-990 (2022)
  5. V Goel, Y Lyu, S DeWitt, D Montiel, K Thornton, “Simulating microgalvanic corrosion in alloys using the PRISMS phase-field framework” MRS Communications 12 (6), 1050-1059 (2022)
  6. Zahra Hemmat, Alireza Ahmadiparidari, Shuxi Wang, Khagesh Kumar, Michael Zepeda, Chengji Zhang, Naveen Dandu, Sina Rastegar, Leily Majidi, Ahmad Jaradat, Anh Ngo, Katsuyo Thornton, Larry A Curtiss, Jordi Cabana, Zhehao Huang, Amin Salehi‐Khojin, “Unprecedented Multifunctionality in 1D Nb1‐xTaxS3 Transition Metal Trichalcogenide Alloy” Advanced Functional Materials 32 (34), 2205214 (2022)
  7. Rebecca D McAuliffe, Guanglong Huang, David Montiel, Apurva Mehta, Ryan C Davis, Victoria Petrova, Katie L Browning, James R Neilson, Ping Liu, Katsuyo Thornton, Gabriel M Veith, “Thin-Film Paradigm to Probe Interfacial Diffusion during Solid-State Metathesis Reactions” Chemistry of Materials 34 (14), 6279-6287 (2022)
  8. Gabrielle E Kamm, Guanglong Huang, Simon M Vornholt, Rebecca D McAuliffe, Gabriel M Veith, Katsuyo S Thornton, Karena W Chapman, “Relative kinetics of solid-state reactions: the role of architecture in controlling reactivity” Journal of the American Chemical Society 144 (27), 11975-11979 (2022)
  9. Yusu Wang, Jonathan J Denney, Adam A Corrao, Guanglong Huang, Mojue Zhang, Praveen Soundararajan, David Montiel, Katsuyo Thornton, Peter G Khalifah, “Sample environment effects on synchrotron-measured temperature profiles in an approximant of optical floating zone crystal growth” Journal of Crystal Growth 574, 126331 (2022)
  10. D Ding, Y Zhang, F Ciucci, K Thornton, “Vishwas Goel1, Dalton Cox2, Scott A. Barnett 2 and Katsuyo Thornton1“, High Temperature Solid Oxide Cells (2022)
  11. Vishwas Goel, Kuan-Hung Chen, Min Ji Namkoong, Chenglin Yang, Jyoti Mazumder, Jeff Sakamoto, Neil P Dasgupta, Katsuyo Thornton, “(Invited) Optimization of Highly Ordered Laser-Patterned Electrode (HOLE) Design for Achieving Enhanced Fast Charging Performance in Graphite Anodes with > 3mAh/cm …” Electrochemical Society Meeting Abstracts 240, 469-469 (2021)
  12. V Goel, KH Chen, MJ Namkoong, J Sakamoto, NP Dasgupta, K Thornton, “Investigation of the Effect of Electrode Design and Material Parameters on the Homogeneity“, Electrochemical Society Meeting Abstracts 240, 414-414 (2021)
  13. Andrew L Davis, Vishwas Goel, Daniel W Liao, Mark N Main, Eric Kazyak, John Lee, Katsuyo Thornton, Neil P Dasgupta, “Rate Limitations in Composite Solid-State Battery Electrodes: Revealing Heterogeneity with Operando Microscopy“, ACS Energy Letters 6 (8), 2993-3003 (2021)
  14. PW Voorhees, K Thornton, “The Dynamic of Complex Two-Phase Mixtures During Coarsening: From Dendritic to Bicontinuous Mixtures” Univ. of Michigan, Ann Arbor, MI (United States) (2021)
  15. Kate LM Elder, W Beck Andrews, Markus Ziehmer, Nadiia Mameka, Christoph Kirchlechner, Anton Davydok, Jean-Sébastien Micha, Alexander F Chadwick, Erica T Lilleodden, Katsuyo Thornton, Peter W Voorhees, “Grain boundary formation through particle detachment during coarsening of nanoporous metals“, Proceedings of the National Academy of Sciences 118 (30), e2104132118 (2021)
  16. V Goel, D Cox, SA Barnett, K Thornton, “Simulation of Electrochemical Impedance in a SOFC Cathode with Experimentally Determined Microstructure and its Application in Microstructure Characterization” Electrochemical Society Meeting Abstracts sofc2021, 131-131 (2021)
  17. MJ Higgins, J Kang, G Huang, D Montiel, N Lu, H Liu, YF Shen, P Staublin, J-S Park, JD Almer, P Kenesei, PG Sanders, RM Suter, K Thornton, AJ Shahani, “Anomalous strain-energy-driven macroscale translation of grains during nonisothermal annealing“, Physical Review Materials 5 (7), L070401 (2021)
  18. Martina Trini, Salvatore De Angelis, Peter Stanley Jørgensen, Peter Vang Hendriksen, K Thornton, Ming Chen, “Towards the validation of a phase field model for Ni coarsening in solid oxide cells“, Acta Materialia 212, 116887 (2021)
  19. Guanglong Huang, Mojue Zhang, David Montiel, Praveen Soundararajan, Yusu Wang, Jonathan J Denney, Adam A Corrao, Peter G Khalifah, Katsuyo Thornton, “Automated extraction of physical parameters from experimentally obtained thermal profiles using a machine learning approach“, Computational Materials Science 194, 110459 (2021)
  20. Vishwas Goel, Dalton Cox, Scott A Barnett, Katsuyo Thornton, “Simulation of the electrochemical impedance in a three-dimensional, complex microstructure of solid oxide fuel cell cathode and its application in the microstructure …“, Frontiers in Chemistry 9, 627699 (2021)
  21. Allison Wustrow, Guanglong Huang, Matthew J McDermott, Daniel O’Nolan, Chia-Hao Liu, Gia Thinh Tran, Brennan C McBride, Shyam S Dwaraknath, Karena W Chapman, Simon JL Billinge, Kristin A Persson, Katsuyo Thornton, James R Neilson, “Lowering ternary oxide synthesis temperatures by solid-State cometathesis reactions“, Chemistry of Materials 33 (10), 3692-3701 (2021)
  22. Kuan‐Hung Chen, Vishwas Goel, Min Ji Namkoong, Markus Wied, Simon Müller, Vanessa Wood, Jeff Sakamoto, Katsuyo Thornton, Neil P Dasgupta, “Enabling 6C fast charging of Li‐ion batteries with graphite/hard carbon hybrid anodes“, Advanced energy materials 11 (5), 2003336 (2021)
  23. Yuxin Chen, Kuan-Hung Chen, Adrian J Sanchez, Eric Kazyak, Vishwas Goel, Yelena Gorlin, Jake Christensen, Katsuyo Thornton, Neil P Dasgupta, “Operando video microscopy of Li plating and re-intercalation on graphite anodes during fast charging“, Journal of Materials Chemistry A 9 (41), 23522-23536 (2021)
  24. Vishwas Goel, Katsuyo Thornton, “Enabling the electrochemical simulation of Li-ion battery electrodes with anisotropic tortuosity in COMSOL MultiphysicsⓇ“, MethodsX 8, 101425 (2021)
  25. Kuan-Hung Chen, Vishwas Goel, Min Ji Namkoong, Markus Wied, Simon Müller, Vanessa Wood, Jeff Sakamoto, Katsuyo Thornton, Neil P Dasgupta, “Enabling> 4C Fast Charging of Li-Ion Batteries with Graphite/Hard Carbon Hybrid Anodes to Overcome Energy/Power Density Tradeoffs“, Electrochemical Society Meeting Abstracts prime2020, 539-539 (2020)
  26. Kuan-Hung Chen, Min Ji Namkoong, Vishwas Goel, Chenglin Yang, Jyoti Mazumder, Katsuyo Thornton, Jeff Sakamoto, Neil P Dasgupta, “(Invited) Enabling Fast Charging Li-ion Batteries through Three-dimensional Graphite Anode Design,” Electrochemical Society Meeting Abstracts prime2020, 537-537 (2020)
  27. W Beck Andrews, Kate LM Elder, Peter W Voorhees, Katsuyo Thornton, “Effect of transport mechanism on the coarsening of bicontinuous structures: A comparison between bulk and surface diffusion“, Physical Review Materials 4 (10), 103401 (2020)
  28. Kuan-Hung Chen, Min Ji Namkoong, Vishwas Goel, Chenglin Yang, Saeed Kazemiabnavi, SM Mortuza, Eric Kazyak, Jyoti Mazumder, Katsuyo Thornton, Jeff Sakamoto, Neil P Dasgupta, “Efficient fast-charging of lithium-ion batteries enabled by laser-patterned three-dimensional graphite anode architectures“, Journal of Power Sources 471, 228475, (2020)
  29. Hui-Chia Yu, Stuart B Adler, Scott A Barnett, K Thornton, “Simulation of the diffusional impedance and application to the characterization of electrodes with complex microstructures“, Electrochimica Acta 354, 136534, (2020)
  30. J. Denney, Y. Wang, A. Corrao, G. Huang, D. Montiel, H. Zhong, E. Dooryhee, K. Thornton and P. Khalifah, “In situ temperature profile measurements with high-energy X-rays as a probe of optical floating zone crystal growth environment“, Journal of Applied Crystallography 53 (4), 982-990 (2020).
  31. S. Gentry and K. Thornton, “Sensitivity analysis of a phase field model for static recrystallization of deformed microstructures” Modelling and Simulation in Materials Science and Engineering 28 (6), 065002 (2020).
  32. D. O’Nolan, G. Huang, G. E. Kamm, A. Grenier, C.-H. Liu, P. K. Todd, A. Wustrow, G. Thinh Tran, D. Montiel, J. R. Neilson, S. J. L. Billinge, P. J. Chupas, K. S. Thornton and K. W. Chapman, “A thermal-gradient approach to variable-temperature measurements resolved in space”, Journal of Applied Crystallography, 53, DOI: 10.1107/S160057672000415X (2020).
  33. S. DeWitt, S. Rudraraju, D. Montiel, W. B. Andrews, and K. Thornton, “PRISMS-PF: A general framework for phase-field modeling with a matrix-free finite element method” npj Computational Materials 6, 29, DOI: 10.1038/s41524-020-0298-5 (2020).
  34. A. A. Kulkarni, E. Hanson, R. Zhang, K. Thornton, and P. V. Braun, “Archimedean lattices emerge in template-directed eutectic solidification” Nature, 577, 355–358 (2020), DOI: 10.1038/s41586-019-1893-9 (2020).
  35. W.B Andrews, P.W. Voorhees, and K. Thornton, “Simulation of coarsening in two-phase systems with dissimilar mobilities” Computational Materials Science, 173, 109418, DOI: 10.1016/j.commatsci.2019.109418 (2020).
  36. H.-C. Yu, D. Taha, T. Thompson, N.J. Taylor, A. Drews, J. Sakamoto, and K. Thornton, “Deformation and stresses in solid-state composite battery cathodes” Journal of Power Sources 440, 227116, DOI: 10.1016/j.jpowsour.2019.227116 (2019).
  37. H. Liu, S. Kazemiabnavi, A. Grenier, G. Vaughan, M. Di Michiel, B. J. Polzin, K. Thornton, K. W. Chapman, P. J. Chupas, “Quantifying reaction and rate heterogeneity in battery electrodes in 3D through operando X-ray diffraction computed tomography”, ACS Appl. Mater. Interfaces 11, 18386-18394, DOI: 10.1021/acsami.9b02173 (2019).
  38. A. A. Kulkarni*, J. Kohanek*, E. Hanson*, K. Thornton†, and P. V. Braun†, “Control of lamellar eutectic orientation via template-directed solidification” Acta Materialia, 166,715-722, DOI: 10.1016/j.actamat.2019.01.016 (2019). (*Equal contributions; †Co-corresponding authors)
  39. J. J. de Pablo, et al., “New frontiers for the materials genome initiative” npj Computational Materials 5, 41, DOI: 10.1038/s41524-019-0173-4 (2019).
  40. K. S. Nagy, S. Kazemiabnavi, K. Thornton, and D. J. Siegel, “Thermodynamic overpotentials and nucleation rates for electrodeposition on metal anodes” ACS Appl. Mater. Interfaces, 11, 7954-7964, DOI: 10.1021/acsami.8b19787 (2019).
  41. Y. Sun, W.B. Andrews, K. Thornton, and P.W. Voorhees, “Self-similarity and the dynamics of coarsening in materials“, Scientific Reports, 8, 17940, DOI:10.1038/s41598-018-36354-8 (2018).
  42. R. A. Enrique, M. Asta; K. Thornton, “Computational materials science and engineering education: An updated survey of trends and needs” JOM 70, 1644-1651, 10.1007/s11837-018-2989-7 (2018).
  43. A. Aagesen, et al., “An Integrated, Open-Source Framework for Accelerating Predictive Structural Materials Science.” JOM, 70, 2298-2314 (2018).
  44. J. Choi, A. A. Kulkarni, Hanson, D. Bacon-Brown, K. Thornton, and P. V. Braun, “Processing‐Dependent Microstructure of AgCl–CsAgCl2 Eutectic Photonic Crystals” Advanced Optical Materials, 6, 1701316, DOI: 10.1002/adom.201701316 (2018).
  45. A. A. Kulkarni, J. Kohanek, K. I. Tyler, E. Hanson, D.-U. Kim, K. Thornton, and P. V. Braun, “Template‐directed solidification of eutectic optical materials” Advanced Optical Materials, 1800071, DOI: 10.1002/adom.201800071 (2018).
  46. P.-C. Tsai, B. Wen, M. Wolfman, M.-J. Choe, M. S. Pan, L. Su, K. Thornton, J. Cabana and Yet-Ming Chiang, “Single-particle measurements of electrochemical kinetics in NMC and NCA cathodes for Li-ion batteries” Energy and Environmental Science, 11, 860-871 , DOI: 10.1039/C8EE00001H (2018).
  47. Kazemiabnavi, R. Malik, B. Orvañanos, A. Abdellahi, G. Ceder, K. Thornton, “The effect of surface-bulk potential difference on the kinetics of intercalation in core-shell active cathode particles” Journal of Power Sources, 382, 30-37, DOI: 10.1016/j.jpowsour.2018.02.023 (2018).
  48. F. Chadwick, J. A. Stewart, Raúl A. Enrique, Sicen Du, and Katsuyo Thornton, “Numerical modeling of localized corrosion using phase-field and smoothed boundary methods” Journal of Electrochemical Society, 165 (10), C633-C646 (2018).
  49. W. Zhang, H.-C. Yu, L. Wu, H. Liu, A. Abdellahi, B. Qiu, J. Bai, B. Orvananos, F. C. Strobridge, Xufeng Zhou, Z. Liu, G. Ceder, Y. Zhu, K. Thornton,* C. P. Grey, and F. Wang,* “Localized concentration reversal of lithium during intercalation into nanoparticles” Science Advances, 4, eaao2608, DOI: 10.1126/sciadv.aao2608 (2018). (*Co-corresponding authors)
  50. E. Alster, D. Montiel, K. Thornton, and P.W. Voorhees, “Simulating complex crystal structures using the phase-field crystal model” Physical Review Materials, 1, 060801, DOI: 10.1103/PhysRevMaterials.1.060801 (2017).
  51. Z. Yan, M. Han, Y. Shi, A. Badea, Y. Yang, A. Kulkarni, E. Hanson, M. Kandel, X. Wen, F. Zhang, Y. Luo, Q. Lin, Hang Zhang, X. Guo, Y. Huang, K. Nan, S. Jia, A. W. Oraham, M. B. Mevis, J. Lim, X. Guo, M. Gao, W. Ryu, K. J. Yu, B. G. Nicolau, A. L. Petronico, S. Rubakhin, J. Lou, P. M. Ajayan, K. Thornton, G. Popescu, D. Fang, J. V. Sweedler, P. V. Braun, Haixia Zhang, R. G. Nuzzo, Y. Huang, Y. Zhang, and J. A. Rogers. “Three-dimensional mesostructures as high-temperature growth templates, electronic cellular scaffolds, and self-propelled microrobots” Proceedings of the National Academy of Sciences, 114, E9455-E9464, DOI: 10.1073/pnas.1713805114 (2017).
  52. V. W. L. Chan, N. Pisutha-Arnond, and K. Thornton, “Thermodynamic relationships for homogeneous crystalline and liquid phases in the phase-field crystal model” Computational Materials Science, 135, 205-213, DOI: 10.1016/j.commatsci.2017.04.017 (2017).
  53. S. DeWitt, E.L.S. Solomon, A.R. Natarajan, V. Araullo-Peters, S. Rudraraju, L.K. Aagesen, B. Puchala, E.A. Marquis, A. Van der Ven, K. Thornton, J. E. Allison, “Misfit-driven β′′′ precipitate composition and morphology in Mg-Nd alloys” Acta Materialia, 136, 378-389, DOI: 10.1016/j.actamat.2017.06.053 (2017).
  54. R. Enrique, S. DeWitt, and K. Thornton, “Morphological stability during electrodeposition” MRS Communications, 7, 658-663, DOI: 10.1557/mrc.2017.38 (2017).
  55. C.-L. Park, J.W. Gibbs, P.W. Voorhees, and K. Thornton, “Coarsening of complex microstructures following spinodal decomposition” Acta Materialia, 132, 13-24, DOI: 10.1016/j.actamat.2017.03.020 (2017).
  56. H. Liu*, M.J. Choe*, R.A. Enrique, B. Orvananos, L. Zhou, T. Liu, K. Thornton, C.P. Grey, “Effects of Antisite Defects on Li Diffusion in LiFePO4 Revealed by Li Isotope Exchange” Journal of Physical Chemistry C, 121, 12025–12036, DOI: 10.1021/acs.jpcc.7b02819 (2017). *The two authors equally contributed to the work.
  57. J. Martin, M. Gräf, T. Kramer, C. Jooss, M. J. Choe, K. Thornton, K.-M. Weitzel, “Charge attachment induced transport–bulk and grain boundary diffusion of potassium in PrMnO 3” Physical Chemistry Chemical Physics, 19, 9762-9769 (2017).
  58. W. Boley, K. Chaudhary, T. J. Ober, M. Khorasaninejad, W.-T. Chen, E. Hanson, A. Kulkarni, J. Oh, Jinwoo Kim, L. K. Aagesen, Alexander Y. Zhu, F. Capasso, K. Thornton, P. V. Braun, and J. A. Lewis “High‐operating‐temperature direct ink writing of mesoscale eutectic architectures” Advanced Materials, 29, 1604778, DOI: 10.1002/adma.201604778 (2017).
  59. K.N. Wood, E. Kazyak, A.F. Chadwick, K.-H. Chen, J.-G. Zhang, K. Thornton, and N. P. Dasgupta, “Dendrites and pits: Untangling the complex behavior of lithium metal anodes through operando video microscopy” ACS Central Science, 2, 790–801, DOI: 10.1021/acscentsci.6b00260 (2016).
  60. S. Kazemiabnavi, Z. Zhang, K. Thornton and S. Banerjee, “Electrochemical Stability Window of Imidazolium-Based Ionic Liquids as Electrolytes for Lithium Batteries” Journal of Physical Chemistry B, 120, 5691–5702, DOI: 10.1021/acs.jpcb.6b03433 (2016).
  61. A. Chadwick, G. Vardar, S. DeWitt, A. Sleightholme, C. Monroe, D. Siegel, K. Thornton, “Computational model of magnesium deposition and dissolution for property determination via cyclic voltammetry” J. Electrochem. Soc., 163, A1813-A1821, doi: 10.1149/2.0031609jes (2016).
  62. H.C. Yu, M.-J. Choe, G. Amatucci, Y.-M. Chiang, K. Thornton. “Smoothed boundary method for simulating bulk and grain boundary transport in complex polycrystalline microstructures” Computational Materials Science, 121,14-22 (2016).
  63. A. Abdellahi, O. Akyildiz, R. Malik, K. Thornton and G. Ceder, “The thermodynamic stability of intermediate solid solutions in LiFePO 4 nanoparticles” Journal of Materials Chemistry A, 4, 5436-5447, doi:10.1039/C5TA10498J (2016).
  64. H. C. Yu, F. Wang, G. G. Amatucci and K. Thornton, “A phase-field model and simulation of kinetically asymmetric ternary conversion-reconversion transformation in battery electrodes” Journal of Phase Equilibria and Diffusion, 37(1), 86-99 (2016).
  65. S. DeWitt, N. Hahn, K. Zavadil, and K. Thornton, “Computational examination of orientation-dependent morphological evolution during the electrodeposition and electrodissolution of magnesium” J. Electrochem. Soc., 163, A513-A521 (2016).
  66. S. DeWitt and K. Thornton, “Simulations of Anodic Nanopore Growth Using the Smoothed Boundary and Level Set Methods” Journal of Physical Chemistry C, 120, 2419-2431 (2016).
  67. A. M. Jokisaari, C. Permann, and K. Thornton, “A nucleation algorithm for the coupled conserved–nonconserved phase field model” Computational Materials Science, 112, 128-138 (2016).
  68. A. M. Jokisaari and K. Thornton, “General method for incorporating CALPHAD free energies of mixing into phase field models: Application to the α-zirconium/δ-hydride system” CAPHAD, 51, 334-343 (2015).
  69. J. Kim, L. K. Aagesen, J. H. Choi, J. Choi, H. S. Kim, J. Liu, C. R. Cho, J. G. Kang, A. Ramazani, K. Thornton, and P. V. Braun, “Template‐Directed Directionally Solidified 3D Mesostructured AgCl–KCl Eutectic Photonic Crystals” Advanced Materials, 27, 4551 (2015).
  70. L. K. Aagesen, M. E. Coltrin, J. Han, and K. Thornton, “Phase-field simulations of GaN growth by selective area epitaxy from complex mask geometries” Journal of Applied Physics, 117, 194302, doi: 10.1063/1.4921053 (2015).
  71. F. C. Strobridge, B. Orvananos, M. Croft, H.-C. Yu, R. Robert, H. Liu, Z. Zhong, T. Connolley, M. Drakopoulos, K. Thornton, and C. P. Grey, “Mapping the Inhomogeneous Electrochemical Reaction Through Porous LiFePO4-Electrodes in a Standard Coin Cell Battery” Chemistry of Materials, 27, 2374–2386 (2015).
  72. B. Orvananos, H.-C. Yu, R. Malik, A. Abdellahi, C. P. Grey, G. Ceder, and K. Thornton, “Effect of a size-dependent equilibrium potential on nano-LiFePO4 particle interactions” Journal of the Electrochemical Society, 162, A1718-A1724 (2015). 
  73. B. Orvananos, H.-C. Yu, A. Abdellahi, R. Malik, C. P. Grey, G. Ceder, and K. Thornton, “Kinetics of nanoparticle interactions in battery electrodes” Journal of the Electrochemical Society, 162, A965-A973 (2015).
  74. C.-L. Park, P. W. Voorhees, and K. Thornton, “Evolution of interfacial curvatures of a bicontinuous structure generated via nonconserved dynamics” Acta Materialia, 90, 182-193 (2015).
  75. V. W. L. Chan, N. Pisutha-Arnond, and K. Thornton, “Phase-field crystal model for a diamond-cubic structure” Physical Review E, 91, 053305 (2015).
  76. A. Abdellahi, O. Akyildiz, R. Malik, K. Thornton and G. Ceder, “Particle-Size and Morphology Dependence of the Preferred Interface Orientation in LiFePO4 Nano-particles.” Journal of Materials Chemistry A, 2, 15437–15447 (2014).
  77. B. Orvananos, R. Malik, H.-C. Yu, A. Abdellahi, C. P. Grey, G. Ceder, and K. Thornton “Architecture dependence on the dynamics of nano-LiFePO4 electrodes” Electrochimica Acta 137, 245-247 (2014).
  78. S. DeWitt and K. Thornton, “Model for anodic film growth on aluminum with coupled bulk transport and interfacial reactions” Langmuir, 30, 5314–5325 (2014).
  79. J. D. Madison, L.K. Aagesen, V.W.L. Chan, and K. Thornton, “Advancing quantitative description of porosity in autogenous laser-welds of 304L stainless steel” Integrating Materials and Manufacturing Innovation, 3, 11 (2014).
  80. B. Orvananos, T. Ferguson, H.-C. Yu, M. Bazant, and K. Thornton, “Particle-level modeling of the charge-discharge behavior of nanoparticulate phase-separating Li-ion battery electrodes” Journal of the Electrochemical Society, 161, A535-A546 (2014).
  81. C.M. Funkhouser, F. J. Solis, and K. Thornton, “Dynamics of coarsening in multicomponent lipid vesicles with non-uniform mechanical properties” Journal of Chemical Physics, 140, 024909-1 (2014).
  82. C.-L. Park, P.W. Voorhees, and K. Thornton, “Application of the level-set method to the analysis of an evolving microstructure” Computational Materials Science, 85, 46-58 (2014).
  83. Y. Lu, C.R. Kreller, S.B. Adler, J.R. Wilson, S.A. Barnett, P.W. Voorhees, H.-Y. Chen, and K. Thornton, “Performance variability and degradation in porous La1-xSrxCoO3-δ electrodes” Journal of the Electrochemical Society, 161(4) F561-F568 (2014).
  84. J.L Fife, J.W. Gibbs, E.B. Gulsoy, C.-L. Park, K. Thornton, P.W. Voorhees, “The dynamics of interfaces during coarsening in solid–liquid systems” Acta Materialia, 70, 66-78 (2014).
  85. N.O. Shanti, V.W.L. Chan, S.R. Stock, F. De Carlo, K. Thornton, K.T. Faber, “X-ray micro-computed tomography and tortuosity calculations of percolating pore networks” Acta Materialia, 71, 126-135 (2014).
  86. Y.-C.K. Chen-Wiegart, R. DeMike, C. Erdonmez, and K. Thornton, S.A. Barnett, J. Wang, “Tortuosity characterization of 3D microstructure at nano-scale for energy storage and conversion materials” Journal of Power Sources, 249, 349-356 (2014).
  87. H.-C. Yu, C. Ling, J. Bhattacharya, J. C. Thomas, K. Thornton, and A. Van der Ven, “Designing the next generation high capacity battery electrodes” Energy and Environmental Science, 7, 1760-1768 (2014).
  88. L.K. Lee, L.K. Aagesen, K. Thornton, P.-C. Ku, “Origin of broad luminescence from site‐controlled InGaN nanodots fabricated by selective‐area epitaxy” Physica Status Solidi A, 211, 531-535 (2014). (Featured on the front cover)
  89. C.M. Funkhouser, M. Mayer, F. J. Solis, and K. Thornton, “Effects of interleaflet coupling on the morphologies of multicomponent lipid bilayer membranes” Journal of Chemical Physics, 138, 024909-1 (2013).
  90. M. Kang, J.H. Wu, D.L. Sofferman, I. Beskin, H.-Y. Chen, K. Thornton, R.S. Goldman, “Origins of ion irradiation-induced Ga nanoparticle motion on GaAs surfaces” Applied Physics Letters, 103, 072115 (2013).
  91. N. Pisutha-Arnond, V. W. L. Chan, M. Iyer, V. Gavini, and K. Thornton, “Classical density functional theory and the phase-field crystal method using a rational function to describe the two-body direct correlation function” Physical Review E, 87, 013313 (2013).
  92. N. Pisutha-Arnond, V. W. L. Chan, K. Elder, and K. Thornton, “Calculations of isothermal elastic constants in the phase-field crystal model” Physical Review B, 87, 014103 (2013).
  93. H.-C. Yu, A. Van der Ven, and K. Thornton, “Simulations of the Kirkendall-effect-induced deformation of thermodynamically ideal binary diffusion couples with general geometries” Metallurgical and Materials Transactions A, 43, 3481-3500 (2012).
  94. L.K. Aagesen, L.K. Lee, P.C. Ku, and K. Thornton, “Phase-field simulations of GaN/InGaN quantum dot growth by selective area epitaxy” Journal of Crystal Growth, 361, 57 (2012).
  95. H.-C. Yu, H.-Y. Chen, and K. Thornton, “Extended smoothed boundary method for solving partial differential equations with general boundary conditions on complex boundaries” Modelling and Simulation in Materials Science and Engineering, 20, 075008 (2012).
  96. V. W. L. Chan and K. Thornton, “Channel size distribution of complex three-dimensional microstructures calculated from the topological characterization of isodistance structures” Acta Materialia 60, 2509-2517 (2012).
  97. J. Madison, J. Spowart, D. Rowenhorst, L.K. Aagesen, K. Thornton, and T.M. Pollock, “Fluid flow and defect formation in the three-dimensional dendritic structure of nickel-based single crystals” Metallurgical and Materials Transactions A – Physical Metallurgy and Materials Science, 43, 369-380 (2012).
  98. F. Wang, H.-C. Yu, M.-H. Chen, L. Wu, N. Pereira, K. Thornton, A.Van der Ven, Y. Zhu, G. Amatucci, and J. Graetz, “Tracking lithium transport and electrochemical reactions in nanoparticles” Nature Communications, 3, 1201 (2012).
  99. H.-Y. Chen, J.R. Wilson, S. Cronin, S.A. Barnett, and K. Thornton, “Simulation of coarsening in three-phase solid oxide fuel cell anodes” Journal of Power Sources, 196, 1333 – 1337 (2011).
  100. K. R. Elder, K. Thornton, and J.J. Hoyt, “The Kirkendall effect in the phase field crystal model” Philosophical Magazine, 91, 151 – 164 (2011).
  101. P.R. Drake, et al., “Radiative effects in radiative shocks in shock tubes” High Energy Density Physics, 7, 130-140 (2011).
  102. N. Pisutha-Arnond, B. Yang, D.-H. Lim, M. Asta, and K. Thornton, “Stability of strained thin films with interface misfit dislocations: A multiscale computational study” Thin Solid Films, 519, 809-817 (2010).
  103. C.M. Funkhouser, F.J. Solis, and K. Thornton, “Dynamics of two-phase lipid vesicles: effects of mechanical properties on morphology evolution” Soft Matter, 6, 3462 – 3466 (2010).
  104. J. Madison, J. Spowart, D. Rowenhorst, L.K. Aagesen, K. Thornton, and T.M. Pollock, “Modeling fluid flow in three-dimensional single crystal dendritic structures” Acta Materialia, 58, 2864-2875 (2010).
  105. J. R. Wilson, J. S. Cronin, A. Duong, S. Rukes, H.-Y. Chen, K. Thornton, D. Mumm, S. A. Barnett, “Effect of composition of (La {sub 0.8} Sr {sub 0.2} MnO {sub 3}-Y {sub 2} O {sub 3}-stabilized ZrO {sub 2}) cathodes: Correlating three-dimensional microstructure and polarization resistance” Journal of Power Sources, 195, 1829-1840 (2010).
  106. A. Van der Ven, H.-C. Yu, G. Ceder, and K. Thornton, “Vacancy mediated substitutional diffusion in binary crystalline solids” Progress in Materials Science, 55, 61-105 (2010).
  107. D.-H. Yeon, Z.-F. Huang, K.R. Elder, and K. Thornton, “Density-amplitude formulation of the phase-field crystal model for two-phase coexistence in two and three dimensions” Philosophical Magazine, 90, 237 – 263 (2010).
  108. Y. Kwon, K. Thornton, and P.W. Voorhees, “Morphology and topology in coarsening of domains via non-conserved and conserved dynamics” Philosophical Magazine, 90, 317 – 335 (2010).
  109. K. Thornton, S. Nola, R.E Garcia, M. Asta, and G.B. Olson, “Computational materials science and engineering education: A survey of trends and needs” JOM, 61, 12-17 (2009). (Invited)
  110. H.-C. Yu, D.-H. Yeon, X. Li, and K. Thornton, “Continuum simulations of the formation of Kirkendall-effect-induced hollow cylinders in a binary substitutional alloy” Acta Materialia, 57, 5348-5360 (2009).
  111. J.R. Wilson, A.T. Duong, M. Gameiro, H.-Y. Chen, K. Thornton, D.R. Mumm, and S.A. Barnett “Quantitative three-dimensional microstructure of a solid oxide fuel cell cathode” Electrochemistry Communications, 11, 1052-1056 (2009).
  112. Y. Kwon, K. Thornton, and P.W. Voorhees, “The topology and morphology of bicontinuous interfaces during coarsening” Europhysics Letters (EPL), 86, 46005 (2009).
  113. A.L. Genau, P.W. Voorhees, and K. Thornton, “The morphology of topologically complex interfaces” Scripta Materialia, 60, 301-304 (2009).
  114. H.-Y. Chen, Y. Kwon, and K. Thornton, “Multifunctionality of three-dimensional self-assembled composite structure” Scripta Materialia, 61, 52-55 (2009).
  115. H.-C. Yu, A. Van der Ven, and K. Thornton, “Theory of grain boundary diffusion induced by the Kirkendall effect” Applied Physics Letters, 93, 091908 (2008).
  116. F.J. Solis, C.M. Funkhouser, and K. Thornton, “Conditions for overall planarity in membranes: Applications to multicomponent membranes with lamellar morphology” Europhysics Letters, 82, 38001 (2008).
  117. K. Thornton and H. F. Poulsen, “Three-dimensional materials science: An intersection of three-dimensional reconstructions and simulations” MRS Bulletin, 33, 587 (2008).
  118. H.-C. Yu, D.-H. Yeon, A. Van der Ven, and K. Thornton, “Substitutional diffusion and Kirkendall effect in binary crystalline solids containing discrete vacancy sources and sinks” Acta Materialia, 55, 6690-6704 (2007).
  119. C.M. Funkhouser, F.J. Solis, and K. Thornton, “Coupled composition-deformation phase-field method for multicomponent lipid membranes” Physical Review E, 76, 011912 (2007).
  120. D.-H. Yeon, P.-R. Cha, J.S. Lowengrub, A. Voigt, and K. Thornton, “Linear stability analysis for step meandering instabilities with elastic interactions and Ehrlich-Schwoebel barriers” Physical Review E, 76, 011601 (2007).
  121. Y. Kwon, K. Thornton, and P.W. Voorhees, “Coarsening of bicontinuous structures via nonconserved and conserved dynamics” Physical Review E, 75, 021120 (2007).
  122. J. Slutsker, K. Thornton, A.L. Roytburd, J.A. Warren, and G.B. McFadden, “Phase field modeling of solidification under stress” Physical Review B, 74, 014103 (2006).
  123. J.R. Wilson, W. Kobsiriphat, R. Mendoza, H.-Y. Chen, J.M. Hiller, D.J. Miller, K. Thornton, P.W. Voorhees, S.B. Adler, and S.A. Barnett, “Three-dimensional reconstruction of a solid-oxide fuel-cell anode” Nature Materials, 5, 541-544 (2006).
  124. D.J. Rowenhorst, J.P. Kuang, K. Thornton, and P.W. Voorhees. “Three-dimensional analysis of particle coarsening in high volume fraction solid–liquid mixtures” Acta Materialia, 54, 2027-2039 (2006).
  125. R. Mendoza, K. Thornton, I. Savin, and P.W. Voorhees, ”The evolution of interfacial topology during coarsening” Acta Materialia, 54, 743-750 (2006).
  126. K. Thornton and M. Asta, “Current status and outlook of computational materials science education in the US” Modelling and Simulation in Materials Science and Engineering, 13, R53-R69 (2005).
  127. S.M. Wise, J.S Lowengrub, J.S. Kim, K. Thornton, P.W. Voorhees, and W.C. Johnson, “Quantum dot formation on a strain-patterned epitaxial thin film” Applied Physics Letters, 87, 133102 (2005).
  128. X. Li, K. Thornton, Q. Nie, J.S. Lowengrub, and P.W. Voorhees, “Two-and three-dimensional equilibrium morphology of a misfitting particle and the Gibbs–Thomson effect” Acta Materialia, 52, 5829-5843 (2004).
  129. M.Z. Bazant, K. Thornton, and A. Ajdari, “Diffuse-charge dynamics in electrochemical systems” Physical Review E, 70, 021506 (2004).
  130. R. Mendoza, I. Savin, K. Thornton, and P.W. Voorhees, “Topological complexity and the dynamics of coarsening” Nature Materials, 3, 385-388 (2004).
  131. K. Thornton, N. Akaiwa, and P.W. Voorhees, “Large-scale simulations of Ostwald ripening in elastically stressed solids: I. Development of microstructure” Acta Materialia, 52, 1353-1364 (2004).
  132. K. Thornton, N. Akaiwa, and P.W. Voorhees, “Large-scale simulations of Ostwald ripening in elastically stressed solids. II. Coarsening kinetics and particle size distribution” Acta Materialia, 1365-1378 (2004).
  133. K. Thornton, J. Ågren, and P.W. Voorhees, “Modelling the evolution of phase boundaries in solids at the meso-and nano-scales” Acta Materialia (Special issue: The Golden Jubilee Issue. Selected topics in Materials Science and Engineering: Past, Present and Future – Edited by S. Suresh) 51, 5675-5710 (2003).
  134. N. Akaiwa, K. Thornton, and P.W. Voorhees, “Large-scale simulations of microstructural evolution in elastically stressed solids” Journal of Computational Physics 173, 61-86 (2001).
  135. K. Thornton, N. Akaiwa, and P.W. Voorhees, “Dynamics of late-stage phase separation in crystalline solids” Physical Review Letters, 86, 1259-1262 (2001).
  136. K. Smith, F.J. Solis, L. Tao, K. Thornton, and M. Olvera de la Cruz, “Domain growth in ternary fluids: a level set approach” Physical Review Letters, 84, 91-94 (2000).
  137. K. Thornton, M. Gaudlitz, H.-T. Janka, and M.E. Steinmetz, “Energy input and mass redistribution by supernovae in the interstellar medium” Astrophysical Journal, 500, 95-119 (1998).

Book Chapters

  1. S. DeWitt and K. Thornton, “Phase field modeling of microstructural evolution” In Computational Materials System Design, Springer Nature, J. Saal and D. Shin, Ed., in press (2018).
  2. S. DeWitt and K. Thornton, “Anodic Oxide Nanostructures and Their Applications in Energy Generation and Storage” In Nanomaterials for Sustainable Energy, ACS Symposium Series, J. L. Liu and S. Bashir, Ed., p19-39, Chapter DOI: 10.1021/bk-2015-1213.ch002 (2015).

Publications in Conference Proceedings

  1. S. P. Gentry and K. Thornton, “Simulating recrystallization in titanium using the phase field method” 36TH Risoe International Symposium on Materials Science, IOP Conference Series-Materials Science and Engineering, 89, 012024, DOI: 10.1088/1757-899X/89/1/012024 (2015).
  2. F. Wang, H.-C. Yu, A. Van der Ven, K. Thornton, N. Pereira, Y. Zhu, G. G. Amatucci, and J. Graetz, “Ionic and electronic transport in metal fluoride conversion electrodes” ECS Transactions, 50, 19-25 (2013).
  3. C.R. Kreller, M.E. Drake, S.B. Adler, H.-Y. Chen, H.-C. Yu, K. Thornton, J.R. Wilson, and S.A. Barnett, “Modeling SOFC cathodes based on 3-D representations of electrode microstructure” ECS Transactions. 35, 815-822 (2011).
  4. J. R. Wilson, W. Kobsiriphat, R. Mendoza, H.-Y. Chen, T. Hines, J. M. Hiller, D. J. Miller, K. Thornton, P. W. Voorhees, S. B. Adler, D. Mumm, and S. A. Barnett, “Three dimensional reconstruction of solid oxide fuel cell electrodes using focused ion beam-scanning electron microscopy” Solid Oxide Fuel Cells 10 (SOFC-X) (ECS Transactions, 7), (ed. K. Eguchi, J. Mizusai, S. Singhal, and H. Yokoyama), p. 1879. Electrochemical Society (2007). [Involves strict review]
  5. K. Thornton and P. W. Voorhees, “The dynamics of interfaces in elastically stressed solids” NATO-Advanced-Study-Institute on Thermodynamics, Microstructures and Plasticity (Nato Science Series, Series II: Mathematics, Physics, and Chemistry Volume 108), p. 91, Frejus, France (2002).
  6. K. Thornton, N. Akaiwa, and P. W. Voorhees, “Microstructure Evolution During Ostwald Ripening in Elastically Stressed Solids: Phase Transformations and Evolution in Materials (edited by P. E. A. Turchi and A. Gonis), p. 73. TMS, Warrendale, PA (2000).
  7. K. Thornton, N. Akaiwa, and P. W. Voorhees, “Morphology development during ostwald ripening in elastically stressed solids” Advanced Materials for the 21st Century: The 1999 Julia R. Weertman Symposium (edited by Y-W. Chung, D. C. Dunand, P. K. Liaw, and G. B. Olson), p. 205. TMS, Warrendale, PA (1999).
  8. N. Akaiwa, K. Thornton, and P. W. Voorhees, “Development of Spatial Correlations During Coarsening in Elastically Stressed Solids” Proceedings of the International Conference on Solid-Solid Phase Transformations ’99 (PTM ’99), Kyoto, Japan (edited by M. Koiwa, K. Otsuka, and T. Miyazaki), p. 553, Japan Institute of Metal, Sendai, Japan, (1999).
  9. K. Thornton, H.-T. Janka, and J.W. Truran, “Supernovae as thermal and kinetic energy input to their environment” The 4th International Conference on Nuclei in the Cosmos (Nuclear Physics A, 621), p. C485, University of Notre Dame, Notre Dame, IN, (1996).
  10. K. L. Chan and K. Serizawa, “On Numerical Studies of Solar/Stellar Convection.” The Sun and Cool Stars: Activity, Magnetism, Dynamos. Lecture Notes in Physics Series, Springer-Varlag (1992).

Other Publications

  1. M. Li, C. Campbell, K. Thornton, E. Holm, P. Gumbsch, “A Look Ahead to the Second World Congress on Integrated Computational Materials Engineering” JOM, 65, 583 (2013).
  2. K. Thornton, D. R. Trinkle, R. G. Hennig, “Applying for computational time on NSF’s TeraGrid-the world’s largest cyberinfrastructure supporting open research” JOM, 62, 17 -18 (2010).

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