Dr. James W. Evans

Ames Laboratory Associate and Professor, Iowa State University
315 Wilhelm Hall
The Ames Laboratory
Ames, IA 50011-3020
Phone 515-294-1638
Fax 515-294-4709
Email evans@ameslab.gov

Research Interests

  • Spatiotemporal behavior in chemisorption and catalysis on metal surfaces: realistic atomistic-level modeling of reaction kinetics; analysis of chemical diffusion and multi-scale modeling of reaction-diffusion behavior; analysis of fluctuations in nanoscale systems.
  • Fundamental statistical mechanical studies of far-from-equilibrium reaction-diffusion phenomena including kinetic phase transitions.
  • Interplay between anomalous transport and reaction in catalytically-functionalized mesoporous and nanoporous materials.
  • Self-assembly and stability of single- and multi-component epitaxial metal nanostructures formed by deposition on single-crystal surfaces.
  • Growth and relaxation epitaxial thin films: submonolayer nucleation & growth of islands; multilayer kinetic roughening; post-deposition coarsening; step flow during growth and erosion.

    Selected Projects

  • Realistic multi-site lattice-gas models for CO-oxidation on Pd(100), Rh(100), Pt(100), and other surfaces.
  • Heterogeneous-coupled-lattice-gas modeling of patterns and fronts in catalytic surface reactions (HCLG is our Heterogeneous Multiscale Method).
  • Statistical mechanical analysis of discontinuous poisoning transitions (including generic two-phase coexistence and metastability) in reaction-diffusion models.
  • Modeling of catalytic conversion reactions and polymerization reactions in nanoporous systems with single-file diffusion.
  • Continuous-random-network models structure of amorphous materials (e.g., mesoporous oxide catalysts).
  • Formation of epitaxial nanostructures by deposition on a NiAl(110) binary alloy substrate, including analysis of alloy self-growth.
  • Effect of chalcogen additives (S, O) on stability of noble metal surface nanostructures (including additive-enhanced coarsening and cluster mobility).
  • Predictive atomistic and coarse-grained modeling of homoepitaxial thin film growth (for both submonolayer and multilayer regimes).
  • Development of general multi-site lattice-gas models and KMC simulation algorithms incorporating precise kinetics (surface diffusion barriers) for epitaxial systems.

        Project Affiliations:
        Chemical Physics

        Group Website:
        Evans Research Group

(Chronologically most recent on top)Education

  • Postdoctoral Fellow, 1979-81, Chemical Physics, Iowa State University
  • Ph.D. 1979, Mathematical Physics, University of Adelaide, Australia
  • B.Sc. (Hons) 1975, Mathematics, University of Melbourne, Australia

(Chronologically most recent on top)Professional Appointments

  • Senior Scientist, 1996-present; Chemist, 1993-96; Associate Scientist, 1983-93; Assistant Chemist, 1982-83, Ames Laboratory-USDOE.
  • Professor of Physics & Astronomy, 2010-present, Iowa State University
  • Professor of Mathematics, 1996-present; Associate Professor of Mathematics, 1991-1996, Iowa State University.
  • Visiting Scientist, Institute of Mathematics & its Applications, U. Minnesota, 2009.
  • Visiting Scientist, Institute of Physics - CAS, Beijing, 2009.
  • Visiting Scientist, Ecole des Mines, Nancy, France, 2000.
  • Visiting Scientist, Fritz Haber Institute, Berlin, Germany, 1991.

(Chronologically most recent on top)Honors & Awards

  • Fellow of the American Physical Society, 2002-present.

(Chronologically most recent on top)Publications with the Ames Laboratory

Shen M M; Jenks C J; Evans J W; Thiel P A . 2010. Rapid decay of vacancy islands at step edges on Ag(111): step orientation dependence. Journal of Physics-Condensed Matter. 22:215002. abstract
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Liu D J; Chen H T; Lin V S Y; Evans J W . 2010. Polymer length distributions for catalytic polymerization within mesoporous materials: Non-Markovian behavior associated with partial extrusion. Journal of Chemical Physics. 132:154102. abstract
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Han Y; Unal B; Jing D P; Qin F L; Jenks C J; Liu D J; Thiel P A; Evans J W . 2010. Formation and coarsening of Ag(110) bilayer islands on NiAl(110): STM analysis and atomistic lattice-gas modeling. Physical Review B. 81:115462. abstract
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Albao M A; Evans J W; Chuang F C . 2009. A kinetic Monte Carlo study on the role of defects and detachment in the formation and growth of In chains on Si(100). Journal of Physics-Condensed Matter. 21:405002. abstract
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Jing D P; Unal B; Qin F L; Yuen C; Evans J W; Jenks C J; Sordelet D J; Thiel P A . 2009. Stranski-Krastanov-like growth of an Ag film on a metallic glass. Thin Solid Films. 517:6486-6492. abstract
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Liu D J; Chen H T; Lin V S Y; Evans J W . 2009. Statistical mechanical modeling of catalytic polymerization within surface-functionalized mesoporous materials. Physical Review E. 80:011801. abstract
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Liu D J; Evans J W . 2009. Atomistic and multiscale modeling of CO-oxidation on Pd(100) and Rh(100): From nanoscale fluctuations to mesoscale reaction fronts. Surface Science. 603:1706-1716. abstract
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Shen M M; Liu D J; Jenks C J; Evans J W; Thiel P A . 2009. The effect of chalcogens (O, S) on coarsening of nanoislands on metal surfaces. Surface Science. 603:1486-1491. abstract
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Unal B; Fournee V; Thiel P A; Evans J W . 2009. Structure and Growth of Height-Selected Ag Islands on Fivefold i-AlPdMn Quasicrystalline Surfaces: STM Analysis and Step Dynamics Modeling. Physical Review Letters. 102:196103. abstract
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Zorn D D; Albao M A; Evans J W; Gordon M S . 2009. Binding and Diffusion of Al Adatoms and Dimers on the Si(100)-2 x 1 Reconstructed Surface: A Hybrid QM/MM Embedded Cluster Study. Journal of Physical Chemistry C. 113:7277-7289. abstract
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