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20 September 2023

Investigation of Medium Range Order Defects in CuxZr100-x (x = 50, 56, 60, 64) Metallic Glasses Using Reverse Monte Carlo Modeling

Diffraction
metallic glasses
medium range order def...
reverse monte carlo
Related publication: 10.3390/met13010070
I am woking on metallic glass system. i want to perform ab initio molecular dynamics simulation on ZrCu system using cp2k software. which enesemle is better to perform AIMD on metallic glass and i also want to know how to perform queching in cp2k.
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