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Integrated Computational Materials Engineering (ICME) for Metals: Using Multiscale Modeling to Invigorate Engineering Design with Science by Mark F. Horstemeyer

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5.2 MEAM POTENTIALS

The MEAM proposed by Baskes et al. [2, 9, 10] is one of the most widely used methods of semiempirical atomic potentials to date. The MEAM potential was based on the EAM [1, 8, 11, 12] and extended to include angular forces. Since the EAM potentials apply well to FCC crystals, the MEAM potential was designed to apply to BCC, HCP, diamond-structured materials, and gaseous elements. Also, the free surfaces are better addressed from the MEAM potentials; hence, with regard to the applications related to damage, fracture and fatigue make the MEAM potential more attractive.

Atomistic simulations of a wide range of elements and alloys have been performed using the MEAM potentials. Baskes [12] first proposed the MEAM potential to obtain realistic shear behavior for silicon. Baskes et al. [9] then developed MEAM potentials for silicon, germanium, and their alloys. The MEAM potential was also applied to numerous cubic materials with various impurities. Baskes et al. used the MEAM to examine the interface between a silicon substrate and a thin overlayer of nickel [10]. Gall et al. [13] used the MEAM to model the tensile debonding of an aluminum–silicon interface. Lee and Baskes [14] further improved the MEAM to account for the second nearest-neighbor interactions. Zhang and coworkers used the second nearest-neighbor MEAM to calculate the surface energy of BCC and HCP metals [15, 16]. Also, Huang et al. [17] used the MEAM and two other potentials to determine defect energetics ...

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