Kinetics of rapid crystal growth: phase field theory versus atomistic simulations

Joint 5th International Conference on Advances in Solidification Processes;5th International Symposium on Cutting Edge of Computer Simulation of Solidification, Casting and Refining

土木建筑工程;计算机科学

Galenko, P.K.^1^2 ; Salhoumi, A.^2^3 ; Ankudinov, V.^2^4

Friedrich-Schiller-Universität-Jena, Faculty of Physics and Astronomy, Otto Schott Institute of Materials Research, Jena

07743, Germany^1

Ural Federal University, Theoretical and Mathematical Physics Department, Laboratory of Multi-Scale Mathematical Modeling, Ekaterinburg

620000, Russia^2

University of Hassan II Casablanca, Faculty of Sciences Ben m'Sik, Department of Physics, Laboratory of Condensed Matter Physics (LPMC), BP 7955, Casablanca, Morocco^3

Udmurt State University, Department of Physics and Energetics, Laboratory of Condensed Matter Physics, Izhevsk

426034, Russia^4

关键词: Atomistic simulations;    Liquid interface;    Molecular dynamics simulations;    Phase field models;    Phase field theory;    Quantitative description;    Theoretical modeling;    Traveling wave solution;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/529/1/012035/pdf
DOI  :  10.1088/1757-899X/529/1/012035

来源: IOP

【 摘 要 】

Kinetics of crystal growth in undercooled melts is analyzed by methods of theoretical modeling. Special attention is paid to rapid growth regimes occurring at deep undercoolings at which non-linearity in crystal velocity appears. A traveling wave solution of the phase field model (PFM) derived from the fast transitions theory is used for a quantitative description of the crystal growth kinetics. The "velocity - undercooling" relationship predicted by the traveling wave solution is compared with the data of molecular dynamics simulation (MDS) which were obtained for the crystal-liquid interfaces growing in the 100-direction in the Ni50Al50 alloy melt.