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Highly anisotropic interfaces play an important role in the development of material microstructure. Using the diffusive atomistic phase-field crystal (PFC) formalism, we determine the capability of the model to quantitatively describe these…

Materials Science · Physics 2018-08-29 Nana Ofori-Opoku , James A. Warren , Peter W. Voorhees

We propose to incorporate grain boundary (GB) anisotropy in phase-field modeling by extending the standard partial differential equations formulation to include a nonlocal functional of an orientation field. Regardless of the number of…

Materials Science · Physics 2026-02-09 Xiao Han , Axel van de Walle

We present a dynamical model of crystal growth, in which it is possible to reliably achieve asymmetric products, beginning from symmetric initial conditions and growing within an isotropic environment. The asymmetric growth is the result of…

Statistical Mechanics · Physics 2025-03-20 Sam Oaks-Leaf , David T. Limmer

We use a combined phase-field/lattice-Boltzmann scheme [D. Medvedev, K. Kassner, Phys. Rev. E {\bf 72}, 056703 (2005)] to simulate non-facetted crystal growth from an undercooled melt in external flows. Selected growth parameters are…

Materials Science · Physics 2009-11-11 Dmitry Medvedev , Thomas Fischaleck , Klaus Kassner

Step meandering during growth of gallium nitride (0001) surface is studied using kinetic Monte Carlo method. Simulated growth process, conducted in N-rich conditions are therefore controlled by Ga atoms surface diffusion. The model employs…

Statistical Mechanics · Physics 2011-10-24 Magdalena A. Załuska-Kotur , Filip Krzyżewski , Stanisław Krukowski

We investigate crystal-growth kinetics in the presence of strong shear flow in the liquid, using molecular-dynamics simulations of a binary-alloy model. Close to the equilibrium melting point, shear flow always suppresses the growth of the…

Materials Science · Physics 2017-08-15 H. L. Peng , D. M. Herlach , Th. Voigtmann

The growth of crystal surfaces, under non-equilibrium conditions, involves the displacement of mono-atomic steps by atom diffusion and atom incorporations into steps. The time-evolution of the growing crystal surface is thus governed by a…

Materials Science · Physics 2009-11-11 Thomas Frisch , Alberto Verga

Polycrystalline thin films can be unstable with respect to island formation (agglomeration) through grooving where grain boundaries intersect the free surface and/or thin film-substrate interface. We develop a phase-field model to study the…

Materials Science · Physics 2007-05-23 Mathieu Bouville , Shenyang Hu , Long-Qing Chen , Dongzhi Chi , David J Srolovitz

Transformations accompanying shape-instability govern the morphological configuration and distribution of the phases in a microstructure. Owing to the influence of the microstructure on the properties of a material, the stability of…

Computational Engineering, Finance, and Science · Computer Science 2020-06-17 Tobias Mittnacht , Prince Gideon Kubendran Amos , Daniel Schneider , Britta Nestler

We review how phase-field models contributed to the understanding of various aspects of crystal nucleation including homogeneous and heterogeneous processes, and their role in microstructure evolution. We recall results obtained both by the…

We use confocal microscopy and time-resolved light scattering to investigate plasticity in a col- loidal polycrystal, following the evolution of the network of grain boundaries as the sample is submitted to thousands of shear deformation…

Soft Condensed Matter · Physics 2014-08-28 Elisa Tamborini , Luca Cipelletti , Laurence Ramos

A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying. The model proposed extends upon the original approach of Geslin et al. to consider dealloying in the presence of grain…

Materials Science · Physics 2023-08-07 Nathan Bieberdorf , Mark D. Asta , Laurent Capolungo

Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…

Materials Science · Physics 2015-05-13 P. F. Tupper , Martin Grant

The mechanisms of void growth and coalescence are key contributors to the ductile failure of crystalline materials. At the grain scale, single crystal plastic anisotropy induces large strain localization leading to complex shape evolutions.…

Materials Science · Physics 2025-10-20 Jalal Smiri , Joseph Paux , Oguz Umut Salman , Ioan R. Ionescu

The internal energy associated with the defect microstructure of strongly deformed crystals provides an important driving force for grain boundary motion during recrystallization. Typical dislocation microstructures are strongly…

Materials Science · Physics 2026-01-13 Yufan Zhang , Michael Zaiser

The microstructure evolution due to thermomechanical treatment of metals can largely be described by viscoplastic deformation, nucleation and grain growth. These processes take place over different length and time scales which present…

Materials Science · Physics 2018-10-16 Anna Ask , Samuel Forest , Benoit Appolaire , Kais Ammar , Oguz Umut Salman

We propose a two dimensional frame-invariant phase field model of grain impingement and coarsening. One dimensional analytical solutions for a stable grain boundary in a bicrystal are obtained, and equilibrium energies are computed. We are…

Materials Science · Physics 2007-05-23 Ryo Kobayashi , James A. Warren , W. Craig Carter

The morphology of a growing crystal surface is studied in the case of an unstable two-dimensional step flow. Competition between bunching and meandering of steps leads to a variety of patterns characterized by their respective instability…

Statistical Mechanics · Physics 2012-07-19 A. Verga

The reliability of any day-to-day material is critically dictated by its properties. One factor which governs the behaviour of a material, under a given condition, is the microstructure. Despite the absence of any phase transformation, a…

Materials Science · Physics 2019-06-26 P G Kubendran Amos

We explore the crystallization in a colloidal monolayer on a structured template starting from a few-particle nucleus. The competition between the substrate structure and that of the growing crystal induces a new crystal growth scenario.…

Soft Condensed Matter · Physics 2013-07-09 Tim Neuhaus , Michael Schmiedeberg , Hartmut Löwen