CMCSN PUBLICATIONS

Dynamics and Cohesion of Materials Interfaces and Confined Phases Under Stress CRT
2009 Solidification microstructures and solid-state parallels: Recent developments, future directions, M. Asta, C. Beckermann, A. Karma, W. Kurz, R. Napolitano, M. Plapp, G. Purdy, M. Rappaz, R. Trivedi, Acta Mater. 57, 941 (2009)
  Temperature dependence of the surface free energy and surface stress: An atomistic calculation for CU(110), T. Frolov and Y. Mishin, Phys. Rev. B 79, 045430 (2009)
  Modeling texture evolution during recrystallization in aluminum, A. Brahme, J. Fridy, H. Weiland, and A. Rollett, Modelling Simul. Mater. Sci. Eng. 17, 015005 (2009)
  Effect of material properties on liquid metal embrittlement in the Al-Ga system , H.-S. Nam and D. J. Srolovitz, Acta Mater. 57, 1546 (2009)
  Method for computing short-range forces driving grain-boundary premelting, J. J. Hoyt, D. Olmsted, S. Jindal, M. Asta, and A. Karma, Phys. Rev. E 79, 020601 (2009).
  Atomistic simulations of crystal-melt interfaces in a model binary alloy: Interfacial free energies, adsorption coefficients and excess entropy, C. A. Becker, D. L. Olmsted, M. Asta, J. J. Hoyt, and S. M. Foiles, Phys. Rev. B 79, 0054109 (2009)
 
2008 Atomistic simulation study of the structure and dynamics of a faceted crystal-melt interface, D. Buta, M. Asta, and J. J. Hoyt, Phys. Rev. E 78, 031605 (2008)
  Dynamics of grain-boundary motion coupled to shear deformation: An analytical model and its verification by molecular dynamics, V. A. Ivanov and Y. Mishin, Phys. Rev. B 78, 064106 (2008)
  Crystal-melt interfacial free energy of binary hard spheres from capillary fluctuations, M. Amini and B. B. Laird, Phys. Rev. B 78, 144112 (2008)
  Phase-field crystal study of grain-boundary premelting, J. Mellenthin, A. Karma, and M. Plapp, Phys. Rev. B 78, 184110 (2008)
  Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu, M. I. Mendelev, M. J. Kramer, C. A. Becker, and M. Asta, Philos. Mag. 88, 1723 (2008)
  Atomistic simulation of of the effect of Ga on crack tip opening in Al bicrystals, S. Namilae, B. Radhakrishnan, and J. R. Morris, Modelling Simul. Mater. Sci. Eng. 16, 075001 (2008)
  Temperature-dependent mechanisms of homogeneous crystal nucleation in quenched Lennard-Jones liquids: Molecular-dynamics simulations, L. J. Peng, J. R. Morris, and Y. C. Lo, Phys. Rev. B 78, 012201 (2008)
  Morphology of epitaxial core-shell nanowires, H. Wang, M. Upmanyu, and C. V. Ciobanu, Nano Lett. 8, 4305 (2008)
  Molecular-dynamics study of liquid-metal infiltration during brazing, E. B. Webb III and J. J. Hoyt, Acta Mater. 56, 1802 (2008)
  Effects of boundary inclination and boundary type on shear-driven grain-boundary migration, H. Zhang, D. Du, and D. J. Srolovitz, Philos. Mag. 88, 243 (2008)
  Using atomistic simulations to inform mesoscale simulations of microstructure evolution, S. M. Foiles, D. Olmsted, and E. A. Holm, to appear in MMM2008 (2008)
 
2007 Phase-field crystal modeling of equilibrium bcc-liquid interfaces, K-A. Wu and A. Karma, Phys. Rev. B 76, 184107 (2007)
  Lattice stability of aluminum–rare-earth binary systsems, M. C. Gao, A. D. Rollett, and M. Widom, Phys. Rev. B 75, 174120 (2007)
  Recent developments and Outstanding Challenges in Theory and Modeling of Liquid Metals, J. R. Morris, U. Dahlborg and M. Calvo-Dahlborg, Journal of Non-Crystalline Solids 353, 3444 (2007)
  A Comparison of Crystal-Melt Interfacial Free Energies using Different A1 Potentials, J. R. Morris, M. I. mendelev and D. J. Srolovitz, Journal of Non-Crystalline Solids 353, 3565 (2007)
  Dislocation Model for Grain Boundary Stiffness, M. Upmanyu, Scripta Mater. 56, 553 (2007)
  Wall-Induced Prefreezing in Hard Spheres: A Thermodynamic Perspective, B. B. Laird and R. L. Davidchack, J. Phys. C. 111, 15952 (2007)
  Grain Boundary Interface Roughening Transition and its Effect on Grain Boundary Mobility for Non-Faceting Boundaries, D. L. Olmsted, S. M. Foiles, and E. A. Holm, Scripta Mater. 57, 1161 (2007)
  Molecular Dynamics Study of Equilibrium Concentration Profiles and the Gradient Energy Coefficient in Cu-Pb Nanodroplets, J. J. Hoyt, Phys. Rev. B 76, 094102 (2007)
  Kinetic Coefficient of Steps at the Si(111) Crystal Interface from Molecular Dynamics Simulations, D. Buta, M. Asta, and J. J. Hoyt, J. Chem. Phys. 127, 074703 (2007)
  Crystal-Melt Interface Stresses: Atomistic Simulation Calculations for a Lennard-Jones Binary Alloy, Stillinger-Weber Si, and Embedded-Atom Ni, C. A. Becker, J. J. Hoyt, D. Buta, and M. Asta, Phys. Rev. E 75, 061610 (2007)
  Atomistic Underpinnings for Orientation Selection in Alloy Dendritic Growth, C. A. Becker, D. Olmsted, M. Asta, J. J. Hoyt, and S. M. Foiles Phys. Rev. Lett. 98, 125701 (2007)
  Molecular Dynamics Calculations of the Crystal-Melt Interfacial Mobility for Hexagonal Close-Packed Mg, Z. G. Xia, D. Y. Sun, M. Asta, and J. J. Hoyt Phys. Rev. B 75, 012103 (2007)
  Properties and Determination of the Interface Stiffness, D. Du and H. Zhang Acta Mater. 55, 467 (2007)
  Molecular Dynamics Simulation of a Ga Penetration Along Grain Boundaries in Al: A Dislocation Climb Mechanism, H.-S. Nam and D. J. Srolovitz Phys. Rev. Lett. 99, 025501 (2007)
  Atomic Motion During the Migration of General [001] Tilt Grain Boundaries in Ni, H. Zhang, D. J. Srolovitz, J. F. Douglas, and J. A. Warren Acta Mater. 55, 4527 (2007)
  Molecular Dynamics Simulations of Ga Penetration Along Σ5 Symmetric Tilt Grain Boundaries in an Al Bicrystal, H.-S. Nam and D. J. Srolovitz Phys. Rev. B 76, 184114 (2007)
  Computer Simulation Combining Finite Difference and Finite Elements Methods: Solute Drag on Migrating Grain Boundaries in Three Dimension, M. C. Gao, J. Gruber, A. D. Rollett,and A. P. Kuprat Materials Science Forum 550, 1075 (2007)
 
2006 Interface mobility from interface random walk, Z. T. Trautt, M. Upmanyu, and A. Karma, Science 314, 632-635 (2006)
  Kinetic Coefficient for Hard-Sphere Crystal Growth from the Melt, M. Amini, and B. B. Laird, Phys. Rev. Lett. 97, 216102 (2006)

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Last update: 27-Aug-2010