Method for representing density of metal powder sintered body based on molecular dynamics
A technology of molecular dynamics and metal powder, which is applied in the field of powder metallurgy, can solve problems such as lack of physical meaning, achieve the effect of reducing costs, reducing the amount of experiments, and improving research and development efficiency
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[0018] (1) Use Material Studio to build such as figure 1 The simulation model for the calculation of copper powder particles is shown. The particles in the model are all copper powder particles with a particle size of 2nm, the particles at the eight vertices are 1 / 8 particles, and the six face centers are 1 / 2 particles, and the 14 particles involved are packed into a cube box Among them, the nano-copper powder particles can achieve close packing.
[0019] (2) Using the molecular dynamics method, the model described in step (1) was sintered at a constant temperature of 573.15K in the open source software LAMMPS, and the embedded atomic potential proposed by S.A.Etesami and E.Asadi in 2018 was selected as the potential function of this example. NPT ensemble, periodic boundary conditions, sintering at a constant temperature of 573.15K for 200ps; after that, a cooling sintering simulation experiment was performed at a cooling rate of 1K / ps until the sintering temperature dropped ...
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