Title of article :
The modified embedded-atom method interatomic potentials and recent progress in atomistic simulations
Author/Authors :
Lee، نويسنده , , Byeong-Joo and Ko، نويسنده , , Won-Seok and Kim، نويسنده , , Hyun Kyu and Kim، نويسنده , , Eun-Ha، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2010
Pages :
13
From page :
510
To page :
522
Abstract :
Atomistic simulations such as molecular dynamics and Monte Carlo are widely used for understanding the material behavior at a more fundamental level, e.g., at the atomic level. However, there still exist limitations in the variety of material systems, specimen size and simulation time. This article briefly outlines the formalism and performance of the second nearest-neighbor modified embedded-atom method, an interatomic potential formalism applicable to a wide range of materials systems. Recent progresses made to overcome the inherent size and time limitations of atomistic simulations are also introduced along with the challenges still remaining in extending their applicability. Finally, the authors release all the potential parameter sets for elements and alloy systems, and relevant homemade atomistic simulation codes based on the interatomic potential formalism with a user guide.
Keywords :
atomistic simulation , Modified embedded-atom method , Multi-scale simulation , Hybrid simulation , Interatomic potential
Journal title :
Calphad
Serial Year :
2010
Journal title :
Calphad
Record number :
1815920
Link To Document :
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