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James Evans Research Group

FUNDED PROJECTS

  • USDOE-BES: Ames Laboratory Chemical Physics Program (Evans: Surface Reactions)

    • Lead-PIs: J.W. Evans, M.S. Gordon $1.88 M with $690 K to JE for 10/2014-9/2017
  • NSF Grant CHE-1111500: Formation and Stability of Supported Metal Nanostructures      
    • PI: P.A. Thiel; Co-PI: J.W. Evans $500 K with $250 K to JE for 7/2011-7/2016
  • NSF Grant CHE-15007223: Environment-Dependent Coarsening of Supported Metallic Nanoclusters
    • PI: P.A. Thiel; Co-PI: J.W. Evans $385 K with $140 K to JE for 8/2015-7/2018 (recommended)

Cumulative total funding for basic research as PI

  • NSF: CHE-1111500, 0809472, 0414378, 0078596, 9700592, 9317660, 9014214 EEC-0085604 $4.28 M ($1.8 M to JE)
  • USDOE: Chemical Physics: $1.45 M to JE (1992-2007); $4.13 M with $1.77 M to JE (2007-2017); Computation/Theory: $0.625 M with $0.32 M to JE (2009-2014); SciDAC $2.25 M ($0.4 M to JE); Catalysis ~$5 M ($0.27 M to JE).

CURRENT MEMBERS

  • Dr. Da-Jiang Liu, (Ph.D., University of Maryland, 1998); DOE Chemical Physics project

  • Dr. Yong Han, (Ph.D., University of Utah, 2006) NSF project

  • Andres Garcia, Ph.D. student in Physics; DOE Computation/Theory project

  • Tiago de Oliviera, (Ph.D., Universidade Federal Fluminense, Brazil, 2010) Visiting Scientist, 2015-16

PREVIOUS POSTDOCS

  • Maozhi Li (Postdoc 2001-2005 NSF project, Asst. Scientist 2006-2007 DOE CMSN project), Assistant Professor of Physics, Renmin University, Beijing

  • Chandana Ghosh (Postdoc 2004-2005; NSF project)

  • Antonio Cadilhe (Postdoc 1997-99; NSF project), Assistant Professor of Physics, University of Minho, Portugal

  • Maria Bartelt (Postdoc 1991-96; NSF project), Program Director for Computational Materials Science and Staff Scientist, Lawrence Livermore NL, now deceased

  • Chuan Kang (Postdoc 1989-90; NSF project), Associate Professor in Chemistry and Assoc. Director of Honors Program, National University of Singapore

PREVIOUS PHD AND MS STUDENTS

  • Renjie Zhao (M.Sc. Physics 2015; DOE Chemical Physics project)

  • Jing Wang (Ph.D Applied Mathematics 2013; DOE Computational/Theory project)

  • David Ackermann (Ph.D. Chemistry 2013; DOE Chemical Physics project), Postdoc, Mechanical Engineering, Iowa State Uuniversity

  • Chi-Jen Wang (Ph.D Applied Math 2013; DOE Computation/Theory project), Postdoc, Applied Math, Georgia Tech

  • Xiaofang Guo (Ph.D. Physics/Applied Math 2008; DOE SciDAC project)

  • Marvin Albao (Ph.D. Physics 2005; DOE SciDAC project), Assoc. Professor of Physics, University of the Phillipines,  Los Banos and NTEL postdoc

  • Kyle Caspersen (Ph.D. Chem 2001; NSF project), Staff Scientist, Lawrence Livermore NL

  • Edna James (Ph.D. Math 1999; DOE Chemical Physics project), tenured Assistant Professor of Mathematics, Algoma University, Canada

  • Michael Tammaro (Ph.D. Physics 1997; DOE Chemical Physics project), Lecturer in Physics, University of Rhode Island

  • Timothy Ray (Ph.D. Math 1993; DOE Chemical Physics project), Professor of Mathematics, SE Missouri State University

 

RESEARCH PROJECTS

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PUBLICATIONS BY TOPIC 2000-PRESENT

For a complete list of PUBLICATIONS BY YEAR, please click here.

  • Total publications: ~285. Total cites (Reuters-Thompson isiknowledge.com): ~7200 h-index =42

PREVIOUS MAJOR REVIEWS

D.-J. Liu, A. Garcia, J. Wang, D.M. Ackerman, C.-J. Wang, and J.W. Evans, “Kinetic Monte Carlo simulation of statistical mechanical models and coarse-grained mesoscale descriptions of catalytic reaction-diffusion processes: 1D nanoporous and 2D surface systems”, Chemical Reviews, 115, 5979-6050 (2015).

D.-J. Liu and J.W. Evans, “Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior for CO-oxidation on metal(100) surfaces”,  Progress in Surface Science, 88, 393-521 (2013). (128 pages)

J. W. Evans, P. A. Thiel and M. C. Bartelt, "Morphological Evolution during Epitaxial Thin Film Growth: Formation of 2D Islands and 3D Mounds", Surface Science Reports, 61, 1-128 (2006).

J. W. Evans, "Random and Cooperative Sequential Adsorption", Reviews of Modern Physics, 65, 1281-1329 (1993).

CHEMISORPTION AND CATALYSIS ON METALS (DOE Chemical Physics)

D.-J. Liu and J.W. Evans, Multisite Lattice-Gas Models and Predictive Beyond-Mean-Field Rate Equations for Catalytic Surface Reactions: CO-Oxidation on Metals, ACS Catalysis, submitted (USDOE Laboratories Special Issue, 2015).

D.-J. Liu and J.W. Evans, “Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure”, J. Chem. Phys. 142, 134703 (2015).

H. Walen, D.-J. Liu, J. Oh, H. Lim, J. W. Evans, C. Aikens, Y. Kim, andP. A. Thiel, Cu2S3 complex on Cu(111) as a candidate for mass transport enhancement, Phys. Rev. B, 91, 045426 (2015).

H. Walen, D.-J. Liu, J. Oh, H. Lim, J. W. Evans, Y. Kim, and P. A. Thiel Self-Organization of S Adatoms on Au(111): √3R30◦ Rows at Low Coverage, J. Chem. Phys. 143, 014704 (2015).

D.-J. Liu and J.W. Evans, “Dissociative adsorption of O2 on unreconstructed metal(100) surfaces:Pathways, energetics, and sticking kinetics”, Phys. Rev. B 89, 205406 (2014).

J.W. Evans and D.-J. Liu, “Statistical mechanical models for dissociative adsorption of O2 on metal(100) surfaces with blocking, steering, and funneling”, J. Chem. Phys . 140, 194704 (2014).

D.-J. Liu, H. Walen, J. Oh, H. Lim, J.W. Evans, Y. Kim, P.A. Thiel, “A search for the structure of sulfur-induced reconstruction on Cu(111), J. Phys. Chem. C, 118, 29218 (2014).

S. Russell, Y. Kim, D.-J. Liu, J.W. Evans, and P.A. Thiel, "Structure, Formation, and Equilibration of Ensembles of Ag-S Complexes on an Ag Surface" J. Chem. Phys., 138, 071101 (2013).

D.-J. Liu and J.W. Evans, "Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior for CO-oxidation on metal (1 0 0) surfaces", Progress in Surface Science, 88, 393-521 (2013).

D.-J. Liu and J.W. Evans, "Interactions between oxygen on Pt(100): Implications for ordering during chemisorption and catalysis" Chem. Phys. Phys. Chem., 11, 2174-2181 (2010).

D.-J. Liu and J.W. Evans, "Atomistic and multiscale modeling of CO-oxidation on Pd(100) and Rh(100): From nanoscale fluctuations to mesoscale reaction fronts", Surf. Sci., 603, 1706-1716 (2009). Invited for Issue in honor of Gerhardt Ertl 2007 Nobel Laureate in Chemistry.

Da-Jiang Liu and J.W. Evans, "Fluctuations and patterns in nanoscale surface reaction systems:  Influence of reactant phase separation during CO oxidation", Phys. Rev. B 75, 073401 (2007), 4pp.

Da-Jiang Liu and J.W. Evans, "Fronts and fluctuations in a tailored model for CO oxidation on metal(100) surfaces", J. Phys.: Cond. Matt. 19, 065129 (2007), 14pp.

Da-Jiang Liu and J.W.Evans, "Atomistic lattice-gas modeling of CO-oxidation on Pd(100): Temperature-programmed spectroscopy and steady-state behavior", J. Chem. Phys., 124, 154705 (2006), 13pp.

Da-Jiang Liu and J.W.Evans, "Chemical diffusion in mixed CO+O adlayers and reaction front propagation in CO-oxidation on Pd(100)", J. Chem. Phys., 125, 054709 (2006), 8pp.

Da-Jiang Liu and J.W. Evans, "Lattice-Gas modeling of the formation and ordering of oxygen adlayers on Pd(100)", Surface Science 563, 13-26 (2004).

Da-Jiang Liu and J.W. Evans, "From Atomic Scale Reactant Ordering to Mesoscale Reaction Front Propagation: CO Oxidation on Pd(100)", Phys. Rev. B 70, 193408 (2004), 4pp.

TRANSPORT AND REACTION IN NANOPOROUS AND MESOPOROUS MATERIALS (DOE Chemical Physics)

D.M. Ackerman, Chi-Jen Wang, I.I. Slowing, and J.W. Evans, “Langevin and Fokker-Planck analyses of inhibited molecular passing processes controlling transport and reactivity in nanoporous materials”, Phys. Rev. Lett. 113, 038301 (2014).

Jing Wang, Andrés Garcia, David M. Ackerman, Mark S. Gordon, Igor I. Slowing, Takeshi Kobayashi, Marek Prusk and James W. Evans, Multi-functionalization of nanoporous catalytic materials to enhance reaction yield: Statistical mechanical modeling for conversion reactions with restricted diffusive transport, MRS Fall 2013 Symp. AA, MRS Symp. Proc. (MRS, Pittsburgh, 2014).

J. Wang, D.M. Ackerman, I.I. Slowing, M. Pruski and J.W. Evans, "Controlling reactivity by multifunctionalization of nanoporous catalysts to tune product-functional group interactions: statistical mechanical modeling", J. Chem Phys, 138, 134705 (2013).

D. Ackerman, J. Wang, and J.W. Evans, "Generalized hydrodynamic treatment of the interplay between restricted transport and catalytic reactions in nanoporous materials", Physical Review Letters, 108, 228301 (2012).

J. Wang, D. Ackerman, K. Kandel, I.I. Slowing, M. Pruski, and J.W. Evans, "Conversion reactions in surface-functionalized mesoporous materials: Effect of restricted transport and the catalytic site distribution", MRS Proc. Symposium RR, Fall 2011 (MRS, Pittsburgh, 2012).

D.-J. Liu, J. Wang, D. Ackerman, I.I. Slowing, M. Pruski, H.-T. Chen, V.S.-Y. Lin, and J.W. Evans, “Interplay between anomalous transport and catalytic reaction kinetics in single-file mesoporous systemsâ€, ACS Catalysis 1, 751-763 (2011) (Invited, Memorial Issue for V.S.-Y. Lin).

D. Ackerman, J. Wang, J.H. Wendel, D.-J. Liu, M. Pruski, and J.W. Evans, "Catalytic Conversion reactions mediated by single-file diffusion in linear nanopores: Hydrodynamic versus stochastic behavior", J. Chem. Phys. 134, 114107 (2011), 13pp.

D.-J. Liu, H.-T. Chen, Victor S.-Y. Lin, and J.W. Evans, "Polymer length distributions for catalytic polymerization in mesoporous materials: Analysis based on random walk theory", J. Chem. Phys. 132, 154102 (2010), 11pp.

D.-J. Liu, H.-T. Chen, Victor S.-Y. Lin, and J.W. Evans, "Statistical mechanical modeling of catalytic polymerization within surface functionalized mesoporous materials", Phys. Rev. E 80, 011801 (2009), 9pp.

SELF-ORGANIZATION, GROWTH, AND REACTION ON NON-CONDUCTING SURFACES 

R. Zhao, D.M. Ackerman, and J.W. Evans, Refined BCF-type boundary conditions for mesoscale surface step dynamics, Phys. Rev. B, 91, 235441 (2015), 10pp.

X. Liu, Y. Han, J.W. Evans, A. Engstfeld, R.J. Behm, M.C. Tringides, M. Hupalo, H.-Q. Lin, L. Huang, K.-M. Ho, D. Appy, P.A. Thiel, and C.Z. Wang, Growth morphology and properties of metals on graphene, Progress in Surf. Sci., in press (2015).

David Appy, Huaping Lei, Yong Han, Cai-Zhuang Wang, Michael C. Tringides, Emma J. Kwolek, J. W. Evans, and P. A. Thiel, Copper nanoclusters on the basal plane of graphite: Experimental and theoretical elucidation of the formation mechanism, Phys. Rev. B, 90, 195406 (2014).

D. Appy, H. Lei, C.-Z. Wang, M.C. Tringides, D.-J. Liu, J.W. Evans, and P.A. Thiel, “Transition and Noble Metals on the (0001) Surface of Graphite: Fundamental Aspects of Adsorption, Diffusion, and Morphology”, Progress in Surface Science, 89, 219-238 (2014).

Y. Han, A.K. Engstfeld, C.Z. Wang, L.D. Roelofs, R.J. Behm, and J.W. Evans, “Atomistic modeling of Ru NC formation on graphene/Ru(0001): Thermodynamic vs. kinetic directed-assembly”, MRS Symp. Proc. Vol. 1498 (MRS, Pittsburgh, 2013)  DOI: 10.1557/opl.2013.106

Y. Han, A.K. Engstfeld, R.J. Behm, and J.W. Evans, "Atomistic modeling of the directed assembly of bimetallic Pt-Ru nanoclusters on Ru(0001)-supported monolayer graphene", to J. Chem. Phys. 138, 134703 (2013).

A.Engstfeld, H. Hoster, R.J. Behm, L. Roelofs, X. Liu, C.-Z. Wang, Y. Han, and J.W. Evans, "Directed assembly of Ru nanoclusters on Ru(0001)-supported graphene: STM studies and atomistic modeling",  Phys. Rev. B, 86, 085442 (2012). PRB Editors' Suggestion.

D.-J. Liu, D.M. Ackerman, X. Guo, M.A. Albao, L. Roskop, M.S. Gordon, and J.W. Evans, "Morphological evolution during growth and erosion on vicinal Si(100) surfaces: From electronic structure to atomistic and coarse-grained modeling", MRS Proc. Symposium EE Fall 2011 (MRS, Pittsburgh, 2012)

L. Roskop, J.W. Evans, and M.S. Gordon, "Adsorption and diffusion of Gallium Adataoms on the Si(100) -2x1 reconstructed surface: An MCSCF study utilizing surface clusters", J. Phys. Chem. C, 115, 23488-23500 (2011).

A. Belianinov, B. Unal, K.-M. Ho, C.-Z. Wang, J.W. Evans, M.C. Tringides, and P.A. Thiel, "Nucleation and growth of Ag islands on the (Sqrt3xSqrt3)R30 phase of Ag on Si(111)", J. Phys. Cond. Matt., 23, 265002 (2011), 9pp.

D. Ackerman and J.W. Evans, "Boundary conditions for continuum step flow models from coarse-graining of discrete 2D deposition-diffusion equations", SIAM Multiscale Modeling & Simulation, 9, 59-88 (2011).

P. Arora, W. Li, P. Piecuch, J.W. Evans, M. Albao and M.S. Gordon, "Diffusion of atomic oxygen on the Si(100) surface", J. Phys. Chem. C 114, 12649-12658 (2010).

D. Zorn, M. Albao, J.W. Evans, and M.S. Gordon, "Binding and diffusion of Al adatoms and dimers on the Si(100)-2x1 surface: A hybrid QM/MM embedded cluster study" J. Phys. Chem. C 113, 7277-7289 (2009).

M. Albao, J.W. Evans, and F.-C. Chuang, "Kinetic Monte Carlo study on the role of defects and detachment of formation and growth of In chains on Si(100)", J. Phys.: Cond. Matter, 21, 405002 (2009).

M. Albao, F.-C. Chuang, and J.W. Evans, "Kinetic Monte Carlo simulation atomistic models for oxide island formation and step pinning during etching by oxygen of vicinal Si(100)", Thin Solid Films, 517, 1949-1957 (2009).

M.A. Albao, M.M.R. Evans, J. Nogami, D. Zorn, M.S. Gordon, and J.W. Evans, "Reply to Comment on “Monotonically decreasing size distributions for one-dimensional Ga rows on Si(100)", Phys. Rev. B, 74, 037402 (2006), 3pp.

M.A. Albao, M.M.R. Evans, J. Nogami, D. Zorn, M.S. Gordon, and J.W. Evans, "Monotonically decreasing size distributions for one-dimensional Ga rows on Si(100)", Phys. Rev. B 72, 035426 (2005), 8pp. Also listed in Virtual Journal of Nanoscale Science and Technology, 2005.

M.A. Albao, D.-J. Liu, M.S. Gordon, and J.W. Evans, "Simultaneous etching and oxidation of vicinal Si(100) surfaces: Atomistic lattice-gas modeling of morphological evolution", Phys. Rev. B 72, 195420 (2005), 12pp.

M.A. Albao, Da-Jiang Liu, C.H. Choi, M.S. Gordon, and J.W. Evans, "Atomistic Modeling of Morphological Evolution during Simultaneous Etching and Oxidation of Si(100)", Surface Science, 555, 51-67 (2004).

C.H. Choi, D.-J. Liu, J.W. Evans, and M.S. Gordon, "Passive and Active Oxidation of Si(100) by Atomic Oxygen: Theoretical Study of Possible Reaction Mechanisms", J. Am. Chem. Soc. 124, 8730-8740 (2002).

FUNDAMENTAL STATISTICAL MECHANICAL ANALYSIS OF REACTION-DIFFUSION MODELS: DOE SCIENCE GRAND CHALLENGE FOR NON-EQUILIBRIUM SYSTEMS (DOE Chem Physics)

Chi-Jen Wang, Da-Jiang Liu, and J.W. Evans, Generic two-phase coexistence and metastability in a threshold version of Schloegl’s model for autocatalysis”, J. Chem. Phys. 142, 164105 (2015).

Chi-Jen Wang, D.-J. Liu, and J.W. Evans, "Schloegl's second model for autocatalysis on hypercubic lattices: Dimension-dependence of generic two-phase coexistence", Phys Rev E 85, 041109 (2012).

X. Guo, D. Unruh, D.-J. Liu, and J.W. Evans, "Tricriticality in a generalized Schloegl model for autocatalysis: Lattice-gas realization with particle diffusion", Physica A, Physica A 391, 633 (2012).

Chi-Jen Wang, X. Guo, D.-J. Liu, and J.W. Evans, "Schloegl's second model for autocatalysis on a cubic lattice: Analysis via mean-field discrete reaction-diffusion equations", J. Stat Phys., 144, 1308 (2011).

X. Guo, Y. de Decker, and J.W. Evans, "Metastability in a Schloegl's second model for autocatalysis: Lattice-gas realization with particle diffusion", Phys. Rev. E, 82, 021121 (2010), 12pp.

Xiaofang Guo, D.-J. Liu, and J.W. Evans, "Schloegl's Second Model for Autocatalysis with Particle Diffusion: Lattice-Gas Realization exhibiting Generic Two-Phase Coexistence", J. Chem. Phys. 130, 074106 (2009), 15pp.

Xiaofang Guo, J.W. Evans, and D-J. Liu, "Generic Two-phase Coexistence, Relaxation Kinetics, and Interface Propagation in the Quadratic Contact Process: Analytic Studies", Physica A 387, 177-201 (2008).

Xiaofang Guo, D-J. Liu, and J.W. Evans, "Generic Two-phase Coexistence, Relaxation Kinetics,  and Interface Propagation in the Quadratic Contact Process: Simulation Studies", Phys. Rev. E 75, 061129 (2007), 13 pp.

Da-Jiang Liu, Xiaofang Guo, and J.W. Evans, "Quadratic Contact Process: Phase Separation with Interface-Orientation-Dependent Equistability", Physical Review Letters 98, 050601 (2007), 4pp.

GENRAL MODELING OF SURFACE REACTIONS (DOE Chem Physics)

Da-Jiang Liu and J.W. Evans, "From Atomic Scale Ordering to Mesoscale Spatial Patterns in Surface Reactions: A Heterogeneous Coupled Lattice-Gas (HCLG) Simulation Approach", SIAM Multiscale Modeling & Simulation 4, 424-446 (2005).

Da-Jiang Liu, N. Pavlenko, and J.W. Evans, "Crossover between Mean-Field and Ising Critical Behavior in a Lattice-Gas Reaction-Diffusion Model", J. Stat. Phys., 114, 101-114 (2004).

N. Pavlenko, R. Imbihl, J.W. Evans, and Da-Jiang Liu, "Critical Behavior in an Atomistic Surface Reaction Model exhibiting Bistability: CO-Oxidation with Rapid CO-diffusion", Phys. Rev. E 68, 016212 (2003), 8pp.

N. Pavlenko, J.W. Evans, D.-J. Liu, and R. Imbihl, "Catalytic CO Oxidation on Nanoscale Pt Facets: Effect of Inter-facet CO Diffusion on Bifurcation and Fluctuation Behavior", Phys. Rev. E 65, 016121 (2002), 8 pp.

J.W. Evans, D.-J. Liu, M. Tammaro, "From Atomistic Lattice-Gas Models for Surface Reactions to Hydrodynamic Reaction-Diffusion Equations", Chaos 12,131-143 (2002). (Invited Contribution for Focus Issue: Nonlinear Pattern Formation in Surface Science, edited by A.S. Mikhailov and G. Ertl)

D.-J. Liu and J.W. Evans, "Fluctuations and Bistability in a Hybrid Atomistic Model for CO Oxidation on Nanofacets: An Effective Potential Analysis", J. Chem. Phys. 117, 7319-7328 (2002).

D.-J. Liu and J.W. Evans, "Phase Transitions in Mixed Adsorbed Layers: Effect of Repulsion between "Hard-Squares" and "Point-Particles", J. Chem. Phys., 114, 10977-10978 (2001). 

Yu. Suchorski, J. Beben, R. Imbihl, E.W. James, Da-Jiang Liu, and J.W. Evans, "Fluctuations and Critical Phenomena in Catalytic CO-Oxidation on Nanoscale Pt Facets", Phys. Rev. B 63, 165417 (2001), 12pp.

E.W. James, Da-Jiang Liu, and J.W. Evans, "Relaxation Effects in Random Sequential Adsorption: Application to Chemisorption Systems", J. Colloids and Surfaces A, 165, 241-254 (2000). (Special Issue: "Adhesion of Submicron Particles on Solid Surfaces", edited by V. Privman.)

Da-Jiang Liu and J.W. Evans, "Ordering and Percolation Transitions for Hard-Squares: Equilibrium versus Non-equilibrium Models for Adsorbed Layers with c(2x2) Superlattice Ordering", Phys. Rev. B  62, 2134-2145 (2000).

Da-Jiang Liu and J.W. Evans, "Surface Diffusion in Mixed Adlayers with Superlattice Ordering: Percolative Transport around Obstacles and along Domain Boundaries",  J. Chem. Phys. 113, 10252-10264 (2000).                         

Da-Jiang Liu, J.W. Evans, "Symmetry-Breaking and Percolation Transitions in a Surface Reaction Model with Superlattice Ordering", Physical Review Letters, 84, 955-958 (2000).

COARSENING AND RELAXATION OF SURFACE NANOSTRUCTURES (NSF)

Chi-Jen Wang, Yong Han, H. Walen, S. M. Russell, Patricia A. Thiel, and James W. Evans, “Analytic formulations for one-dimensional decay of rectangular homoepitaxial islands during coarsening on anisotropic fcc(110) surfaces”, Phys. Rev. B, 88, 155434 (2013).

Yong Han, S. M. Russel, A. R. Layson, H. Walen, C. D. Yuen, Patricia A. Thiel, and James W. Evans, "Anisotropic coarsening: One-dimensional decay of Ag islands on Ag(110)", to Phys. Rev. B, 87, 155420 (2013).

M. Shen, C.J. Jenks, J.W. Evans, and P.A. Thiel, "How sulfur controls the nucleation of Ag islands on Ag(111)", Topics in Catalysis, 54, 83-89 (2011).

J.W. Evans and P.A. Thiel, "How chemistry helps the big get bigger", Science 330, 559 (2010).

*G.P. Zhang, M. Hupalo, M. Li, C.Z. Wang, J.W. Evans, M.C. Tringides, and K.M. Ho, "A stochastic coiarseing model for Pb islands on the Si(11) surface", Phys. Rev. B, 82, 165414 (2010).

P.A. Thiel, M. Shen, D.-J. Liu, and J.W. Evans, "Adsorbate-enhanced mass-transport on metal surfaces: oxygen and sulfur on coinage metals", J. Vac. Science Technol. A (Invited Critical Review), A 28, 1285-1298 (2010).

M. Shen, C.J. Jenks, J.W. Evans, and P.A. Thiel, "Rapid Decay of vacancy islands at step edges on Ag(111): Step orientation dependence" J. Phys.: Cond. Matter, 22, 215002 (2010), 6 pp.

P.A. Thiel, M. Shen, D.-J. Liu and J.W. Evans, "Coarsening of two-dimensional nanoclusters on metal surfaces", J. Phys. Chem. C, 113, 5047-5067 (2009). Invited Centennial Feature Article

M. Shen, D.-J. Liu, C.J. Jenks, J.W. Evans, and P.A. Thiel, "The effect of chemical adsorbates on coarsening of nanoislands on metal surfaces", Surf. Sci., 603, 1486-1791 (2009). Invited for Ertl Nobel Issue

M. Shen, D.-J. Liu, C.J. Jenks, P.A. Thiel, and J.W. Evans, "Accelerated coarsening of Ag adatoms islands on Ag(111) due to trace amounts of S: Mass transport mediated by Ag-S complexes", J. Chem. Phys. 130, 094701 (2009), 13pp.

*M. Li, C.Z. Wang, J.W. Evans, M. Hupalo, M. Tringides, and K.-M. Ho, "Competition between area and height evolution of Pb islands on a Si(111) surface", Phys. Rev. B 79, 113404 (2009), 4pp.

*M. Li, J.W. Evans, C.Z. Wang, M. Hupalo, M.C. Tringides, T.-L. Chan, and K.M. Ho, "Strongly Driven Coarsening of Height-Selected Pb Islands on Si(111)", Surf. Sci. Lett., 601, L140-144 (2007).

M. Shen, J.M. Wen, C.J. Jenks, P.A. Thiel, D.-J. Liu, and J.W. Evans, "Ripening of monolayer vacancy pits on metal surfaces: Pathways, energetics, and size-scaling for Ag(111) versus Ag(100)", Phys. Rev. B, 75 (2007) 245409, 10pp.

A.R. Layson, J.W. Evans, and P.A. Thiel, "Use of Adsorbates to Manipulate Nanostructure Formation: O+Ag/Ag(100)", J. Chem. Phys. 118, 6467-6472 (2003).

D.-J. Liu and J.W. Evans, "Sintering of 2D Nanoclusters in Metal(100) Homoepitaxial Systems: Deviations from Predictions of Mullins Continuum Theory", Phys. Rev. B. 66, 165407 (2002), 12pp.

A.R. Layson, J.W. Evans, and P.A. Thiel, "Additive-Enhanced Coarsening and Smoothening of Metal Films: Complex Mass-Flow Dynamics underlying Nanostructure Evolution", Phys. Rev. B 65, 193409 (2002), 4 pp.

W.W. Pai, J.F. Wendelken, C.R. Stoldt, P.A. Thiel, J.W. Evans, and Da-Jiang Liu, "Evolution of Two-Dimensional Worm-Like Nanoclusters on Metal Surfaces", Physical Review Letters 86, 3088-3091 (2001).

A.M. Cadilhe, C.R. Stoldt, C.J. Jenks, P.A. Thiel, and J.W. Evans, "Evolution of Far-From-Equilibrium Nanostructures on Ag(100) Surfaces: Protrusions and Indentations at Extended Step Edges", Phys. Rev. B  61, 4910-4925 (2000).

P.A. Thiel and J.W. Evans, "Nucleation, Growth, and Relaxation of Thin Films in Metal(100) Homoepitaxy", J. Phys. Chem. B  104, 1663-1676 (2000) - Feature Article.

*Partly supported by DOE CMSN project

SELF-ASSEMBLY ON METAL SURFACES INCLUDING ALLOYS: QUANTUM SIZE EFFECTS, STRAIN, ETC. (NSF)

Y. Han and J.W. Evans, “Directing anisotropic assembly of metallic nanoclusters by exploiting linear trio interactions and quantum size effects: Au chains on Ag(100) thin films”, J. Physical Chemistry Letters, 6, 2194-2199 (2015).

Yong Han, Da-Jiang Liu, and James W. Evans, Real-time ab-initio KMC simulation of the self-assembly and sintering of bimetallic nanoclusters on fcc(100) surfaces: Au+Ag on Ag(100), Nano Letters, 14, 4646-4652 (2014).

B. Ünal, J.W. Evans, and P.A. Thiel, Temperature dependence of Ag film roughening during deposition on quasicrystal and approximant surfaces, Acta Phys. Polonica A, 126, 608-612 (2014).

J.W. Evans, P.A. Thiel, and B. Unal, “Atomistic and coarse-grained modeling strategies for thin film nucleation and growth on quasicrystalline surfaces”, MRS Symp. Proc. Vol. 1517 (MRS, Pittsburgh, 2013)  DOI: 10.1557/opl.2012.1753

Y. Han, B. Unal, and J.W. Evans, "Formation of a new type of Ni3Al surface structure by codeposition on NiAl(110)", Physical Review Letters, 108, 216102 (2012).

P.A. Thiel, B. Unal, C. Jenks, A. Goldman, P. Canfield, T. Lograsso, J.W. Evans, M. Quiquandon, D. Gratias, M. Van Hove, "A distinctive feature of the surface structure of quasicrystals: Intrinsic and extrinsic heterogeneity", Israel J Chemistry 51, 1326 (2011).

Y. Han, B. Unal, D. Jing, P.A. Thiel, and J.W. Evans,"Temperature-dependent growth shapes of Ni nanoclusters on NiAl(110)", J. Chem. Phys. 135, 084706 (2011).

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 substrates", Proc. Nat. Acad. Sci., 108, 989-994 (2011). (Special Issue Surface Chemistry)

Y. Han, B. Unal, D. Jing, P.A. Thiel, and J.W. Evans, "Far-from-equilibrium growth on alloy surfaces: Ni and Al on NiAl(110)", Phys. Rev. B, 84, 113414 (2011).

T. Duguet, B. Unal, Y. Han, J.W. Evans, J. Ledieu, C.J. Jenks, J.M. Dubois, V. Fournee, and P.A. Thiel, "Ag thin films on the twofold surface of decagonal Al-Cu-Co quasicrystal", Phys. Rev. B 82, 224204 (2010), 10 pp.

Y. Han, D.-J. Liu, B. Unal, F. Qin, D. Jing, C.J. Jenks, P.A. Thiel, and J.W. Evans, “Formation and coarsening of Ag(110) bilayer islands on NiAl(110): STM analysis and atomistic lattice-gas modelingâ€,  Phys. Rev. B 81, 115462 (2010), 14pp.

Y. Han, B. Unal, D. Jing, P.A. Thiel, J.W. Evans, and D.-J. Liu, "Quantum islands on metal substrates: Microscopy studies and electronic structure theory", Materials 3, 3965-3993 (2010). (Special issue on Scanning Probe Microscopy - invited review).

Y. Han, D.-J. Liu, B. Unal, F. Qin, D. Jing, C.J. Jenks, P.A. Thiel, and J.W. Evans,"Formation and coarsening of Ag(110) bilayer islands on NiAl(110): STM analysis and atomistic lattice-gas modeling",  submitted to Phys. Rev. B, 81, 115462 (2010)

Baris Unal, V. Fournee, P.A. Thiel, and J.W. Evans, "Growth of Height-Selected Ag Islands on 5-fold i-AlPdMn Quasicrystalline Surfaces: STM Analysis & Step Dynamics Modeling", Physical Review Letters, 102, 196103 (2009), 4pp.

D. Jing, B. Unal, F. Qin, J.W. Evans, C.J. Jenks, D.J. Sordelet, and P.A. Thiel, "Stranski-Krastanov-like Growth of an Ag Film on a Metallic Glass", Thin Solid Films, 517, 6486-6292 (2009).

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)", Physical Review Letters, 100, 116105 (2008).

Y. Han, J.W. Evans, and D.-J. Liu, "Quantum Stabilities and Growth Modes of Thin Metal Films: Unsupported and NiAl-supported Ag Films", Surface Science, 602, 2532-2540 (2008).

B. Unal, F. Qin, Y. Han, D.-J. Liu, D. Jing, A.R. Layson, C.J. Jenks, J.W. Evans, and P.A. Thiel, "Scanning Tunneling Microscopy and Density Functional Theory Study of Initial Bilayer Growth  of Ag Films on NiAl(110)", Phys. Rev. B,  76, 195410 (2007), 11pp.

B. Unal, J.W. Evans, T.A. Lograsso, A.R. Ross, C.J. Jenks, and P.A. Thiel, "Terrace-dependent Nucleation of Small Ag Clusters on a Five-fold Icosahedral Quasicrystal Surface", Phil. Mag., 87, 2995-3001 (2007).

B. Unal, A.R. Ross, T.A. Lograsso, K.J. Schnitzenbaumer, C. Ghosh, C.J. Jenks, J.W. Evans, and P.A. Thiel, "Nucleation of Ag thin films on five-fold surfaces of i-Al-Pd-Mn quasicrystals", Phys. Rev. B, 75, 064205 (2007), 9pp.

C. Ghosh, D.-J. Liu, C.J. Jenks, P.A. Thiel, and J.W. Evans, "Modeling of the energetics and kinetics of Al-deposition on 5-fold Al-rich quasicrystal surfaces", Phil. Mag., 86, 831-840 (2006).

C. Ghosh, D.-J. Liu, K.J. Schnitzenbaumer, C.J. Jenks, P.A. Thiel, and J.W. Evans, "Island formation during Al deposition on 5-fold Al-Cu-Fe quasicrystalline surfaces: Kinetic Monte Carlo simulation of a disordered-bond-network lattice-gas model", Surf. Sci., 600, 2220-2230 (2006).

J. Ledieu, R. McGrath, N.V. Richardson, Q. Chen, V. Fournee, T. Lograsso, A. Ross, K.J. Caspersen, U. Baris, J.W. Evans, and P.A. Thiel, "Step Structure on the Five-Fold Al-Pd-Mn Quasicrystalline Surface and on Related Surfaces", Surf. Sci.. 583, 4-15 (2005).

V. Fournee, A.R. Ross, T.A. Lograsso, J.W. Evans, and P.A. Thiel, "Growth of Ag Thin Films on Complex Surfaces of Quasicrystals and Approximant Phases", Surface Science 537, 5-26 (2003).

V. Fournee, T.C. Cai, A.R. Ross, T.A. Lograsso, J.W. Evans, and P.A. Thiel, "Nucleation and Growth of Ag Films on a Quasicrystalline AlPdMn Surface", Phys. Rev. B 67, 033406 (2003), 4pp.

HOMOEPITAXIAL GROWTH OF METAL FILMS (NSF)

M. Li, Y. Han, and J.W. Evans, "Comment on Capture Zone Scaling in Island Nucleation: Universal fluctuation behavior", Phys. Rev. Lett. 104, 149601 (2010), 1pp.

M. Li, Y. Han, P.A. Thiel, and J.W. Evans, "Formation of complex wedding-cake-like morphologies during homoepitaxial growth of Ag on Ag(111): Atomistic, step-dynamics, and continuum modeling", J. Phys. Cond. Matt. 21, 084216 (2009).

Maozhi Li, P.-W. Chung, E. Cox, C.J. Jenks, P.A. Thiel, and J.W. Evans, "Exploration of Complex Multilayer Film Growth Morphologies: STM Analysis and Predictive Atomistic Modeling for Ag on Ag(111)", Phys. Rev. B, 77, 033402 (2008), 4pp.

Maozhi Li and J.W. Evans, "Mound Slope and Shape Selection during Unstable Multilayer Growth: Analysis of Step Dynamics Model including Downward Funneling", Phys. Rev. B, 73, 125434 (2006), 13pp.

Maozhi Li and J.W. Evans, "Theoretical analysis of mound slope selection during unstable multilayer growth", Physical Review Letters 95, 256101 (2005), 4pp; 96, 079902(E) (2006), 1pp.    

Maozhi Li and J.W. Evans, "Modeling of Island Formation during Submonolayer Deposition: A Stochastic Geometry-Based Simulation (GBS) Approach", SIAM Multiscale Modeling & Simulation 3, 629-657 (2005).

E. Cox, Maozhi Li, P.-W. Chung, C. Ghosh, T.S. Rahman, C.J. Jenks, J.W. Evans, and P.A. Thiel, "Temperature-dependence of island growth shapes in submonolayer deposition of Ag on Ag(111)", Phys. Rev. B 71, 115414 (2005), 9pp.

P.A. Thiel and J.W. Evans, "Energetic Parameters for Atomic Scale Processes on Ag(100)", J. Phys. Chem. B 108, 14428-14433 (2004) (Invited for Special Issue commemorating Gerhardt Ertl).

Maozhi Li and J.W. Evans, "Growth Coalescence Shapes for Islands during Metal(100) Homoepitaxy", Phys. Rev. B 69, 035410 (2004), 14pp.

Maozhi Li, M.C. Bartelt, and J.W. Evans, "Geometry-based Simulation of Submonolayer Film Growth", Phys. Rev. B 68, 121401(R) (2003), 4pp.

Maozhi Li and J.W. Evans, "Geometry-based Simulation (GBS) Algorithms for Island Nucleation and Growth during Submonolayer Deposition", Surface Science, 546, 127-148 (2003).  

S. Frank, H. Wedler, R.J. Behm, J. Rottler, P. Maass, K.J. Caspersen, C.R. Stoldt, P.A. Thiel, and J.W. Evans, "Approaching the Low Temperature Limit in Nucleation and Growth of fcc(100) Metal Films - Ag/Ag(100)", Phys. Rev. B 66, 155435 (2002), 7pp.

J.W. Evans and M.C. Bartelt, "Island Sizes and Capture Zone Areas in Submonolayer Deposition: Analysis via Scaling and Factorization of the Joint Probability Distribution", Phys. Rev. B 66, 235410 (2002), 12pp.                                           

K.J. Caspersen, A.R. Layson, C.R. Stoldt, V. Fournee, P.A. Thiel, and J.W. Evans, "Development and Ordering of Mounds during Metal(100) Homoepitaxy", Phys. Rev. B 65, 193407 (2002), 4pp.

K.J. Caspersen, C.R. Stoldt, A.R. Layson, M.C. Bartelt, P.A. Thiel, and J.W. Evans, "Morphology of Multilayer Ag/Ag(100) Films versus Deposition Temperature: STM Analysis and Atomistic Lattice-Gas Modeling", Phys. Rev. B, 63, 085401 (2001), 15pp.

J.W. Evans and M.C. Bartelt, "Nucleation, Adatom Capture, and Island Size Distributions: Unified Scaling Analysis for Submonolayer Deposition", Phys. Rev. B, 63, 235408 (2001), 15 pp.

K.J. Caspersen and J.W. Evans, "Homoepitaxial GrowtH of Metal Films at Very Low Temperatures: Lattice-Gas Models with Restricted Downward Funneling", Phys. Rev. B, 64, 075401 (2001), 11pp.

M.C. Bartelt, J.B. Hannon, A.K. Schmid, C.R. Stoldt, and J.W. Evans, "Island Formation during Deposition and Etching", J. Colloids and Surfaces A, 165, 373-403 (2000).

C.R. Stoldt, K.J. Caspersen, M.C. Bartelt, C.J. Jenks, J.W. Evans, and P.A. Thiel, "Using Temperature to Tune Film Roughness: Non-Intuitive Behavior in a Simple System", Physical Review Letters, 85, 800-803 (2000).