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ML combine the kMC for studing the diffusion behavior in NiCoCr, especially the influence from the Short-range-order in NiCoCr

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This code show how to combine the Machine learning with the kinetic Monte Carlo(kMC) to performa a diffusion simulation in NiCoCr. During the diffusion, the Warren-Cowley short-range order , tracer diffusion coefficients, correlation factor and so on are calculated.

machine-learning kmc diffusion vacancy nicocr

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