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LAMMPS Genie
LAMMPS Genie
1:21 PM
1
Q: Create input file for multicomponent random alloy

pranav kumarI want to know about list to tool similar to ATAT which is available for creating random multi-component alloy input for DFT/MD.

density-functional-theory molecular-dynamics lammps software-input-file-request alloy-theoretic-automated-toolkit
 
 
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LAMMPS Forum
LAMMPS Forum
5:41 PM
LAMMPS - Materials Science Community Discourse: [lammps-users] Why does temperature of copper plate rise?
posted on July 25, 2021 by rickbatra0z

I try to simulate copper plate at 300K, but through 250fs (timestep is 0.001fs) the temperature rises to 400K Why? Is it normal, that i use MEAM potential to simulate copper crystal? And is it normal, that it deforms? in.file in attachments in2.test (811 Bytes) 1 post - 1 participant Read full topic

 

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