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Reaching equilibrium

Brandon Bocklund bocklund

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Reaching equilibrium
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bocklund / ElasticProperties.ipynb
Created November 25, 2023 21:14
Elastic model
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@bocklund
bocklund / Al-Zn_eutectic_fixed_phase.ipynb
Created August 22, 2022 22:38
PyCalphad: Al-Zn finding eutectic point with fixed phases
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@bocklund
bocklund / compute_per_phase_property_loop.py
Last active July 6, 2024 19:54
Compute properties per phase in PyCalphad from the result of equilibrium
# coding: utf-8
import matplotlib.pyplot as plt
import numpy as np
from pycalphad import Database, calculate, equilibrium, variables as v
import pycalphad
dbf = Database('Al-Mg_Zhong.tdb')
comps = ['AL', 'MG', 'VA']
@bocklund
bocklund / Al-Ca-Si-O-demo.ipynb
Created May 29, 2022 20:02
MQMQA multi-component demo
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@bocklund
bocklund / sigfigs.py
Created January 16, 2022 01:45
Print floating point to n significant digits
import math
def float_sigfigs(val, sigfigs):
"""Return a string representation of a floating point number rounded to some number of significant figures without scientific notation"""
rounded_val = float(f"{val:0.{sigfigs}g}")
num_digits = int(abs(math.log10(rounded_val))) + sigfigs
return f"{rounded_val:0.{num_digits}f}"
print(float_sigfigs(3.141592653589793e-20, 5)) # 0.000000000000000000031416
@bocklund
bocklund / COST507-modified.tdb
Last active September 17, 2024 14:54
COST507 TDB with several mistakes fixed
$
$
$ VERSION : ROUND II (January 1999)
$
$ FROZEN VERSION
$ COST - 507
$
$ THERMODYNAMIC DATABASE FOR LIGHT METAL ALLOYS
$
$
@bocklund
bocklund / regular-solutions.ipynb
Last active March 14, 2021 20:49
Regular solutions following A.D. Pelton and W.T. Thompson (1975)
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@bocklund
bocklund / export-xarray.ipynb
Last active December 16, 2020 22:35
Example showing how to export pycalphad xarray calculations to CSV
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