Grand Canonical Monte Carlo Codes and Data for Lattice Chain Phase and Aggregation Behavior

Panagiotopoulos, Athanassios Z.
Issue date: February 2023
Cite as:
Panagiotopoulos, Athanassios Z. (2023). Grand Canonical Monte Carlo Codes and Data for Lattice Chain Phase and Aggregation Behavior [Data set]. Princeton University. https://doi.org/10.34770/ykvp-8b36
@electronic{panagiotopoulos_athanassios_z_2023,
  author      = {Panagiotopoulos, Athanassios Z.},
  title       = {{Grand Canonical Monte Carlo Codes and Da
                ta for Lattice Chain Phase and Aggregati
                on Behavior}},
  publisher   = {{Princeton University}},
  year        = 2023,
  url         = {https://doi.org/10.34770/ykvp-8b36}
}
Abstract:

The materials include codes and example input / output files for Monte Carlo simulations of lattice chains in the grand canonical ensemble, for determining phase behavior, critical points, and formation of aggregates.

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# Filename Description Filesize
1 README.txt This file provides information on the contents of this dataset and instructions on the workflow to be used to generate new data. 4.83 KB
2 H2T4.xlsx Runs performed and data obtained for the H2T4 diblock chain system 576 KB
3 H2T8.xlsx Runs performed and data obtained for the H2T4 diblock chain system 450 KB
4 H3T3_3.xlsx Runs performed and data obtained for the (H3T3)_3 multiblock chain system 1.66 MB
5 H3T3_4.xlsx Runs performed and data obtained for the (H3T3)_4 multiblock chain system 394 KB
6 T2H8T2.xlsx Runs performed and data obtained for the T2H8T2 triblock chain system 1.47 MB
7 T4H8T4.xlsx Runs performed and data obtained for the T4H8T4 triblock chain system 402 KB
8 entr2_par.dat Parameter file for entropy2 187 Bytes
9 entr3_par.dat Pameterer file for entropy3 132 Bytes
10 entropy.f90 Approximate histogram combination and reweighting code 21.9 KB
11 entropy2.f90 Ferrenberg-Swedsen histogram combination and reweighing and critical parameter manual search code 26.4 KB
12 entropy3.f90 Critical parameter optimization code 23 KB
13 inp_main.txt Sample input file for main code 434 Bytes
14 input_hs.dat Sample input file to the entropy code 7 Bytes
15 ising.dat The 3D Ising order parameter distribution, input for entropy2 and entropy3. 3.2 KB
16 main.f90 Main grand canonical Monte Carlo code 57.1 KB
17 scr01.dat Sample screen output file from main code when run with inp_main.txt as input 1.24 KB