Please use this identifier to cite or link to this item:
http://arks.princeton.edu/ark:/88435/dsp01c247dw32c
Title: | Grand Canonical Monte Carlo Codes and Data for Lattice Chain Phase and Aggregation Behavior |
Contributors: | Mahynski, Nathan A. Panagiotopoulos, Athanassios Z. |
Keywords: | Monte Carlo Grand Canonical Ensemble Lattice Models Fluid Phase Equilibria Phase Transitions Critical Point Micelles |
Issue Date: | Feb-2023 |
Publisher: | Princeton University |
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. |
URI: | http://arks.princeton.edu/ark:/88435/dsp01c247dw32c https://doi.org/10.34770/ykvp-8b36 |
Referenced By: | http://dx.doi.org/10.1021/ma971108a http://dx.doi.org/10.1021/la9810206 http://dx.doi.org/10.1088/0953-8984/12/3/201 http://dx.doi.org/10.1021/la0156513 http://dx.doi.org/10.1063/1.2905231 http://dx.doi.org/10.1063/5.0060046 https://arxiv.org/abs/2302.07169 |
Appears in Collections: | Research Data Sets |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
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 | Text | View/Download |
H2T8.xlsx | Runs performed and data obtained for the H2T4 diblock chain system | 450.1 kB | Microsoft Excel XML | View/Download |
H3T3_4.xlsx | Runs performed and data obtained for the (H3T3)_4 multiblock chain system | 394.24 kB | Microsoft Excel XML | View/Download |
T2H8T2.xlsx | Runs performed and data obtained for the T2H8T2 triblock chain system | 1.51 MB | Microsoft Excel XML | View/Download |
H3T3_3.xlsx | Runs performed and data obtained for the (H3T3)_3 multiblock chain system | 1.7 MB | Microsoft Excel XML | View/Download |
H2T4.xlsx | Runs performed and data obtained for the H2T4 diblock chain system | 575.75 kB | Microsoft Excel XML | View/Download |
T4H8T4.xlsx | Runs performed and data obtained for the T4H8T4 triblock chain system | 402.06 kB | Microsoft Excel XML | View/Download |
inp_main.txt | Sample input file for main code | 434 B | Text | View/Download |
scr01.dat | Sample screen output file from main code when run with inp_main.txt as input | 1.24 kB | Text | View/Download |
input_hs.dat | Sample input file to the entropy code | 7 B | Text | View/Download |
ising.dat | The 3D Ising order parameter distribution, input for entropy2 and entropy3. | 3.2 kB | Text | View/Download |
entr2_par.dat | Parameter file for entropy2 | 187 B | Text | View/Download |
entr3_par.dat | Pameterer file for entropy3 | 132 B | Text | View/Download |
main.f90 | Main grand canonical Monte Carlo code | 57.12 kB | Fortran 90 source code | View/Download |
entropy.f90 | Approximate histogram combination and reweighting code | 21.94 kB | Fortran 90 source code | View/Download |
entropy2.f90 | Ferrenberg-Swedsen histogram combination and reweighing and critical parameter manual search code | 26.41 kB | Fortran 90 source code | View/Download |
entropy3.f90 | Critical parameter optimization code | 22.96 kB | Fortran 90 source code | View/Download |
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