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Please use this identifier to cite or link to this item: http://arks.princeton.edu/ark:/88435/dsp01c247dw32c
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dc.contributorMahynski, Nathan A.-
dc.contributor.authorPanagiotopoulos, Athanassios Z.-
dc.coverage.spatialN/Aen_US
dc.coverage.temporalN/Aen_US
dc.date.accessioned2023-02-15T19:34:14Z-
dc.date.available2023-02-15T19:34:14Z-
dc.date.created2023-02-15-
dc.date.issued2023-02-
dc.identifier.urihttp://arks.princeton.edu/ark:/88435/dsp01c247dw32c-
dc.identifier.urihttps://doi.org/10.34770/ykvp-8b36-
dc.description.abstractThe 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.en_US
dc.description.sponsorshipFinancial support for this work was provided by the Princeton Center for Complex Materials (PCCM), a U.S. National Science Foundation Materials Research Science and Engineering Center (Award DMR-2011750).en_US
dc.description.tableofcontentsH2T8.xlsx, H3T3_4.xlsx, T2H8T2.xlsx, H3T3_3.xlsx, H2T4.xlsx, T4H8T4.xlsx, inp_main.txt, scr01.dat, input_hs.dat, ising.dat, entr2_par.dat, entr3_par.dat, main.f90, entropy.f90, entropy2.f90, entropy3.f90, README.txten_US
dc.language.isoen_USen_US
dc.publisherPrinceton Universityen_US
dc.relation.isreferencedbyhttp://dx.doi.org/10.1021/ma971108aen_US
dc.relation.isreferencedbyhttp://dx.doi.org/10.1021/la9810206en_US
dc.relation.isreferencedbyhttp://dx.doi.org/10.1088/0953-8984/12/3/201en_US
dc.relation.isreferencedbyhttp://dx.doi.org/10.1021/la0156513en_US
dc.relation.isreferencedbyhttp://dx.doi.org/10.1063/1.2905231en_US
dc.relation.isreferencedbyhttp://dx.doi.org/10.1063/5.0060046en_US
dc.relation.isreferencedbyhttps://arxiv.org/abs/2302.07169en_US
dc.rightsGNU General Public License v3.0en_US
dc.subjectMonte Carloen_US
dc.subjectGrand Canonical Ensembleen_US
dc.subjectLattice Modelsen_US
dc.subjectFluid Phase Equilibriaen_US
dc.subjectPhase Transitionsen_US
dc.subjectCritical Pointen_US
dc.subjectMicellesen_US
dc.titleGrand Canonical Monte Carlo Codes and Data for Lattice Chain Phase and Aggregation Behavioren_US
dc.typeDataseten_US
dc.typeSoftwareen_US
Appears in Collections:Research Data Sets

Files in This Item:
File Description SizeFormat 
README.txtThis file provides information on the contents of this dataset and instructions on the workflow to be used to generate new data.4.83 kBTextView/Download
H2T8.xlsxRuns performed and data obtained for the H2T4 diblock chain system450.1 kBMicrosoft Excel XMLView/Download
H3T3_4.xlsxRuns performed and data obtained for the (H3T3)_4 multiblock chain system394.24 kBMicrosoft Excel XMLView/Download
T2H8T2.xlsxRuns performed and data obtained for the T2H8T2 triblock chain system1.51 MBMicrosoft Excel XMLView/Download
H3T3_3.xlsxRuns performed and data obtained for the (H3T3)_3 multiblock chain system1.7 MBMicrosoft Excel XMLView/Download
H2T4.xlsxRuns performed and data obtained for the H2T4 diblock chain system575.75 kBMicrosoft Excel XMLView/Download
T4H8T4.xlsxRuns performed and data obtained for the T4H8T4 triblock chain system402.06 kBMicrosoft Excel XMLView/Download
inp_main.txtSample input file for main code434 BTextView/Download
scr01.datSample screen output file from main code when run with inp_main.txt as input1.24 kBTextView/Download
input_hs.datSample input file to the entropy code7 BTextView/Download
ising.datThe 3D Ising order parameter distribution, input for entropy2 and entropy3.3.2 kBTextView/Download
entr2_par.datParameter file for entropy2187 BTextView/Download
entr3_par.datPameterer file for entropy3132 BTextView/Download
main.f90Main grand canonical Monte Carlo code57.12 kBFortran 90 source codeView/Download
entropy.f90Approximate histogram combination and reweighting code21.94 kBFortran 90 source codeView/Download
entropy2.f90Ferrenberg-Swedsen histogram combination and reweighing and critical parameter manual search code26.41 kBFortran 90 source codeView/Download
entropy3.f90Critical parameter optimization code22.96 kBFortran 90 source codeView/Download
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