Multiscale modeling of hard materials: Challenges and opportunities for chemical engineering

[1]  Rajiv K. Kalia,et al.  Scalable molecular-dynamics, visualization, and data management algorithms for materials simulations , 1989, Comput. Sci. Eng..

[2]  T. Arias,et al.  Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and co , 1992 .

[3]  W. H. Weinberg,et al.  Theoretical foundations of dynamical Monte Carlo simulations , 1991 .

[4]  Leonard J. Gray,et al.  Modeling of Failure in Metallic Thin Films Induced by Stress and Electromigration: A Multiscale Computational Analysis , 1998 .

[5]  J. Banavar,et al.  Computer Simulation of Liquids , 1988 .

[6]  W. H. Weinberg,et al.  Theoretical study of the energetics, strain fields, and semicoherent interface structures in layer-by-layer semiconductor heteroepitaxy , 1999 .

[7]  D. C. Rapaport,et al.  The Art of Molecular Dynamics Simulation , 1997 .

[8]  Sadasivan Shankar,et al.  Electronic materials process modeling , 1996 .

[9]  Alex Kilpatrick,et al.  Internet Time: Switch to Swatch? , 1999 .

[10]  F. Abraham,et al.  Computational statistical mechanics methodology, applications and supercomputing , 1986 .

[11]  Car,et al.  Unified approach for molecular dynamics and density-functional theory. , 1985, Physical review letters.

[12]  Talid Sinno,et al.  Modeling Microdefect Formation in Czochralski Silicon , 1999 .

[13]  J. Q. Broughton,et al.  Concurrent coupling of length scales: Methodology and application , 1999 .

[14]  G. Iooss,et al.  Elementary stability and bifurcation theory , 1980 .

[15]  A. Voter.  Hyperdynamics: Accelerated Molecular Dynamics of Infrequent Events , 1997 .

[16]  M. Ortiz,et al.  Quasicontinuum analysis of defects in solids , 1996 .

[17]  K. Jensen,et al.  MULTISCALE MODELING OF THIN FILM GROWTH , 1998 .

[18]  W. H. Weinberg,et al.  Surface morphology in InAs/GaAs(111)A heteroepitaxy: Experimental measurements and computer simulations , 1999 .