CHEMICAL AND BIOLOGICAL SCIENCES

Da-Jiang Liu Assistant Scientist 307B Wilhelm Hall Ames Laboratory Iowa State University Ames, IA 50011 Phone 515-294-9927 FAX 515-294-0266 dajiang@fi.ameslab.gov

PERSONAL HISTORY

• B.Sc. 1991, University of Science and Technology of China
• Ph.D. 1998, University of Maryland at College Park
• 1998-2002, Postdoctoral Research Associate, Ames Laboratory, Iowa State University
• 2002-present, Assistant Scientist, Ames Laboratory, Iowa State University

RESEARCH INTERESTS

Modeling of surface processes related to chemistry and materials.

• Catalytic surface reaction: multiscale modeling of spatial-temporal patterns, connecting atomistic simulations of reaction and continuous description of diffusion; fluctuations and bifurcations of chemical reactions on nanoscale particles.
• Metal thin film: restructuring and diffusion of nanostructures in epitaxal thin films.
• Ecthing of semiconductor surfaces.

RECENT PUBLICATIONS

"Flutuations and bistability in a 'hybrid' atomistic model for CO oxidation on nanofacets: an effective potential analysis", D.-J. Liu and J. W. Evans, J. Chem. Phys. 117, 7319 (2002).

"Sintering of two-dimensional nanoclusters in metal(100) homoepitaxial systems: Deviations from predictions of Mullins continuum theory", D.-J. Liu and J. W. Evans, Phys. Rev. B, 66, 165407 (2002).

"Passive and active oxidation of Si(100) by atomic oxygen: A theoretical study of possible reaction mechanism," C. H. Choi, D.-J. Liu, J. W. Evans, and M. G. Gordon, J. Am. Chem. Soc. 124, 8730 (2002)

"From atomistic lattice-gas models for surface reactions to hydrodynamic reaction-diffusion equations," J. W. Evans, M. Tammaro, and D.-J. Liu, Chaos 12, 131 (2002)

"Catalytic CO oxidation on nanoscale Pt facets: Effect of Interfacet CO diffusion on bifurcation and fluctuation behavior," N. Pavlenko, J. W. Evans, D.-J. Liu and R. Imbihl, Phys. Rev. E 65, 016121 (2001)

"Phase transitions in mixed adsorbed layers: effect of repulsion between hard-squares and point-particles," D.-J. Liu and J. W. Evans, J. Chem. Phys. 114, 10977 (2001).

"Evolution of two-dimensional wormlike nanoclusters on metal surfaces," W. W. Pai, J. F. Wendelken, C. R. Stoldt, P. A. Thiel, J. W. Evans, and D.-J. Liu, Phys. Rev. Lett. 86, 3088 (2001)

"Fluctuations and critical phenomena in catalytic CO-oxidation on nanoscale Pt facets," Yu. Suchorski, J. Beben, R. Imbihl, E. W. James, D.-J. Liu and J. W. Evans, Phys. Rev. B 63, 165417 (2001).

"Modeling of the transition from active to passive oxidation of Si(100)," D.-J. Liu and C. H. Choi, M. S. Gordon, and J. W. Evans, in Recent Developments in Oxide and Metal Epitaxy -- Theory and Experiment, Vol. 619 of Mat. Res. Soc. Symp. Proc., edited by M. Yeadon et al. (Warrendale, Pennsylvania, 2000), p. 173.

"Surface diffusion in mixed overlayers with superlattice ordering: Percolative transport around obstacles and along domain boundaries," D.-J. Liu and J. W. Evans, J. Chem. Phys. 113, 10252 (2000)

"Ordering and percolation transitions for hard squares: equilibrium versus nonequilibrium models for adsorbed layers with c(2×2) superlattice ordering," D.-J. Liu and J. W. Evans, Phys. Rev. B 62, 2134 (2000).

"Symmetry-breaking and percolation transitions in a surface reaction model with superlattice ordering," D.-J. Liu and J. W. Evans, Phys. Rev. Lett. 84, 955 (2000)

"Relaxation effects in random sequential adsorption: application to chemisorption systems," E. W. James, D.-J. Liu, and J. W. Evans, Colloids and Surfaces A: Physicochem. Eng. Aspects 165, 241 (2000).

"Onset of step antibanding instability due to surface electromigration," K. Thürmer, D.-J. Liu, E. D. Williams and J. D. Weeks, Phys. Rev. Lett. 83, 5531 (1999)

"Current-Induced Step Bending Instability on Vicinal Surfaces," D.-J. Liu, J. D. Weeks, and D. Kandel, Phys. Rev. Lett. 81, 2743 (1998)

"Quantitative theory of current-induced step bunching on Si(111)," D.-J. Liu and J. D. Weeks, Phys. Rev. B 57, 14891 (1998)

"Interactions between fluctuating steps on vicinal surfaces: Edge energy effects in reconstruction induced faceting," D.-J. Liu and J. D. Weeks, Phys. Rev. Lett. 79, 1694 (1997)

"The effective charge in surface electromigration," E. S. Fu, D.-J. Liu, M. D. Johnson, J. D. Weeks, and E. D. Williams, Surf. Sci. 385, 259 (1997)

"Two-dimensional models for step dynamics," J. D. Weeks, D.-J. Liu and H.-C. Jeong, in Dynamics of Crystal Surfaces and Interfaces, edited by P. M. Duxbury and T. J. Pence, Plenum Press, New York, 199 (1997)

"Velocity function models of steps dynamics: theory of current induced step bunching on Si(111) surfaces," D.-J. Liu, J. D. Weeks, and D. Kandel, Surf. Rev. Lett. 4, 107 (1997)

"Two-dimensional facet nucleation and growth on Si(111)," D.-J. Liu, J. D. Weeks, M. D. Johnson, and E. D. Williams, Phys. Rev. B 55, 7653 (1997)

"Relaxation of the step profile for different microscopic mechanisms," D.-J. Liu, E. S. Fu, M. D. Johnson, J. D. Weeks, and E. D. Williams, J. Vac. Sci. Technol. B 14, 2799 (1996)

"Size scaling in the decay of metastable structures," E. S. Fu, M. D. Johnson, D.-J. Liu, J. D. Weeks, and E. D. Williams, Phys. Rev. Lett. 77, 1091 (1996)

"Representing molecular shape and interactions: A reduced intermolecular potential for copper phthalocyanine," D.-J. Liu, R. L. B. Selinger, and J. D. Weeks, J. Chem. Phys. 105, 4751 (1996)

"Phase diagram of a two-dimensional lattice-gas model of oxygen ordering in YBa₂Cu₃O_z with realistic interactions," D. J. Liu, T. L. Einstein, P. A. Sterne, and L. T. Wille, Phys. Rev. B 52, 9784 (1995)