Exercise 2 #

import matplotlib.pyplot as plt
import numpy as np
from pyiron_atomistics import Project
from helpers import *
from calphy.integrators import kb

pr = Project('exe2')

Calculate the melting temperature of the B32 structure

Calculate free energy as function of composition of Li

  • Choose composition of Li from 0 to 0.25

  • Choose a temperature from 700 to 1000

  • Choose liquid and fcc structures

  • Calculate and plot the free energy curves

  • Perform common tangent construction

  • Identify regions of stability of the two structures