Non-Equilibrium Statistical Physics and Multi-Scale Modeling. Focus areas and applications: (i) assembly and stability of epitaxial nanoclusters; (ii) growth and relaxation of epitaxial thin films; (iii) spatio-temporal behavior in catalytic surface reactions; (iv) anomalous transport and reaction in nanoporous systems; (v) non-equilibrium phase transitions in reaction-diffusion systems.
K. C. Lai, M. Chen, B. M. Williams, Y. Han, C.-K. Tsung, W. Huang, and J. W. Evans, Reshaping of Truncated Pd Nanocubes: Energetic and Kinetic Analysis Integrating Transmission Electron Microscopy with Atomistic-Level and Coarse-Grained Modeling, ACS Nano, 14, 8551-8561 (2020).
Lin Wei, Da-Jiang Liu, Bryan A. Rosales, James W. Evans, and Javier Vela, Selective Hydrogenation of Aqueous Nitrate to Ammonia over Ni2P, ACS Catalysis, 10, 3618-3628 (2020).
B. Williams, A. Young, I. Andoni, Y. Han, W.-S. Lo, J. Yang, M. Golden, C.-R. Kao, C.-H. Kuo, J.W. Evans, W. Huang, and C.-K. Tsung, Strain-Driven Metallic Intermixing in Shape-Controlled Multi-layered Core-Shell Nanostructures: Toward Shaped Intermetallics, Angew. Chem. (Int. Ed.) 59, 2-9 (2020).
K.C. Lai, Y. Han, P. Spurgeon, W. Huang, P.A. Thiel, D.-J. Liu, and J.W. Evans, Reshaping, intermixing, and coarsening for metallic nanocrystals: Non-equilibrium statistical mechanical & coarse-grained modeling, Chemical Reviews 119 (2019) 6670-6768.
K.C. Lai and J.W. Evans, Complex oscillatory decrease with size in diffusivity of (100)-epitaxially supported 3D fcc nanoclusters, Nanoscale, 11 (2019) 17506-17516.
M. Chen, Y. Han, T.W. Goh, R. Sun, R.V. Maligal-Ganesh, Y. Pei, C.-K. Tsung, J.W. Evans, and W. Huang, Kinetics, Energetics, and Size-dependence of the Transformation from Pt to Ordered PtSn Intermetallic Nanoparticles, Nanoscale, 11 (2019) 5336-5345.
S.E. Julien, A. Lii-Rosales, K.-T. Wan, Y. Han, M.C. Tringides, J.W. Evans, and P.A. Thiel, Squeezed Nanocrystals: Equilibrium Configuration of Metal Clusters Embedded Beneath the Surface of a Layered Material, Nanoscale, 11 (2019) 6445-6452.
D.-J. Liu, C.-J. Wang, and J.W. Evans, Discontinuous phase transitions in non-local Schloegl models for autocatalysis: Loss and reemergence of a non-equilibrium Gibbs phase rule, Physical Review Letters, 121 (2018) 120603.
W.-K. Huang, K.-W. Zhang, C.-L. Yang, H. Ding, X. Wan, S.-C. Li, J.W. Evans, and Y. Han, "Tailoring kinetics on a topological insulator surface by defect-induced strain: Pb mobility on Bi2Te3", Nano Letters, 16 (2016) 4454-4461.
Y. Han and J.W. Evans, "Directing anistropic assembly of metallic nanoclusters by exploiting linear trio interactions and quantum size effects: Au chains on Ag(100) thin films", J. Phys. Chem. Lett. 6 (2015) 2194-2999.
D.-J. Liu, A. Garcia, J. Wang, D.M. Ackerman, C.-J. Wang, and J.W. Evans, "Kinetic Monte Carlo simulations of statistical mechanical models and coarse-grained mesoscale descriptions of catalytic reaction-diffusion processes: 1D nanoporous and 2D surface systems", Chemical Reviews 115 (2015) 5979-6050.
Y. Han, D.-J. Liu, and J.W. Evans, "Real-time ab-initio KMC simulation of the self-assembly and sintering of bimetallic epitaxial nanoclusters: Au + Ag on Ag(100)", Nano Letters 14 (2014) 4646.
C.-J. Wang, D.M. Ackerman, I.I. Slowing, and J.W. Evans, "Langevin and Fokker-Planck analyses of inhibited molecular passing controlling transport and reactivity in nanoporous materials", Phys. Rev. Lett. 113 (2014) 038301.
D.-J. Liu and J.W. Evans, "Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior in CO-oxidation on metal(100) surfaces" Prog. Surf. Science 88 (2013) 393-521.
D.M. Ackerman, J. Wang, and J.W. Evans, " Generalized hydrodynamic treatment of the interplay between restricted transport and catalytic reaction in nanoporous materials" Phys. Rev. Lett. 108 (2012) 228301
Y. Han, B. Unal, and J.W. Evans, "Formation of a new type of Ni3Al surface structure by codeposition on NiAl(110), Phys. Rev. Lett. 108 (2012) 216102
T. Duguet, Y. Han, C. Yuen, D. Jing, B. Unal, J.W. Evans, and P.A. Thiel, "Self-assembly of metal nanostructures on binary alloy surfaces", Proc. Nat. Acad. Sci. 108 (2011) 989-994
J.W. Evans and P.A. Thiel, "A little chemistry helps the big get bigger", Science 330 (2010) 559
M. Li, Y. Han, and J.W. Evans, "Comment on capture zone scaling in island nucleation", Phys. Rev. Lett. 104 (2010) 149601
B. Unal, V. Fournee, P.A. Thiel, and J.W. Evans, "Growth of height-selected Ag islands on quasicrystalline surfaces: STM analysis and step-dynamics modeling", Phys. Rev. Lett. 102 (2009) 196103
Y. Han, D.-J. Liu, B. Unal, F. Qin, D. Jing, C.J. Jenks, P.A. Thiel, and J.W. Evans, "Kinetics of facile bilayer island formation for Ag on NiAl(110)", Phys. Rev. Lett. 100 (2008) 116105
D.-J. Liu, X. Guo, and J.W. Evans, "QCP (Schloegl's 2nd model for autocatalysis): Phase-separation with orientation-dependent equistability", Phys. Rev. Lett. 98 (2007) 050601