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Abstract
Based on a series of the first-principles and experimental data, a new interatomic potential for the La-Al-Ni ternary system has been developed in the framework of an embedded-atom model using a force matching technique. With the optimized potential, the ground states of various elemental phases of La, Al, Ni, and La-Al-Ni intermetallic compounds are accurately reproduced. Also, the liquid dynamic behavior and glass forming ability of the La-Al-Ni system are validated, and the simulation results show great agreement with those calculated by ab initio molecular dynamic and related experimental data, indicating the reasonability and availability of our developed embedded-atom-method potential.
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