Some Widely Used Potentials Embedded Atom Method EAM Potential for metals with

Some widely used potentials embedded atom method eam

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Some Widely Used Potentials Embedded Atom Method (EAM) Potential ( for metals with many-body interaction) i embedded in a electron sea with density of i contributed by other atoms many-body embedding energy
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Fundamentals of MD: Position Update Euler algorithm: Verlet algorithm: The errors of Verlet algorithm is ~ O( t 2 ), and there is no need of the velocities for the position update. The errors of Euler algorithm is ~ O( t) . Euler integration
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Fundamentals of MD: Control Periodic Boundary Conditions: the most widely used boundary condition for studying bulk properties Free Boundary Conditions: e.g. droplet of liquid, protein in vacuum, entails a formation of surfaces on the system Mixed Boundary Conditions: e.g. periodic in x, free in y and z box size has to be at least twice large as cut-off interaction length!
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