Aishwaryo Ghosh

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Questions related from Aishwaryo Ghosh

How to get Young's modulus by calculating biaxial stress?

I am calculating for bi-axial stress. The corresponding plot of stress vs strain(upto 2%) is giving me double of expected value of Young's modulus from the slope. Is this because my unit cell has...

01 June 2021 474 0 View

Heating up a system using NVE in VASP doesnot raise the temperature?

I am a beginner at Molecular dynamics. I am trying to gather snapshots of a given material at different temperatures. For each temperature, I have thought to increase the system temperature to "T"...

06 March 2021 4,542 1 View