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Masters Project, includes code to run a Monte Carlo simulation on a disordered FCC lattice and extract relevant thermodynamics and structural information for analysis to be performed

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DisorderedMonteCarlo

Masters Project

Supervisor: Dr C. Castelnovo

Data: 11/05/2020

This README is a catalogue of the code used in this project.

.c code was used to run simulations and produce data

.py code was used to analyse data and produce plots

For full descriptions of what each piece of code does check the individual files.

For random number generation the seed was generated by seed_rng() which used the /dev/urandom

file to collect a random seed. This code was as seen on

https://stackoverflow.com/questions/2572366/how-to-use-dev-random-or-urandom-in-c

As this is linux only code this could be used on the CSD3 but not a windows laptop.

On windows standard time seeding was used. This could not be used on the CSD3 as

multiple iterations of the program were called simultaneously.

The key pieces of code used to run simulations were

IsingDisorderBatchEASubLattices.c - Thermodynamic simulations

LatticeGenerate.c - produces lattice for simulations to be run off

StructureFactorBatch.c - structure factor calculations

Other pieces of .c code Autocorrelation.c AutocorrelationCurves.c AutocorrelationDisorder.c CorrelationLengths.c IsingFCCAFMBatch.c IsingFCCFMBatch.c RealSpaceCorrelation.c

For data analysis AutocorrelationCurvePlot.py AutocorrelationPlot.py BeathCompare.py CorrelationFunctionPlot.py CorrelationLengths.py CorrelationLengthsAverage.py DataPlotAFM.py DataPlotEASubLattices.py DataPlotFM.py DisorderAverageEASubLattices.py DataPlotFM.py EAComp.py Entropy.py IsingAFMAverage.py IsingFMAverage.py LatticeVisualisation.py LatticeVisualisationHist.py StructureFactorBatchAve.py StructureFactorPlot.py SubLatticeComp.py

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Masters Project, includes code to run a Monte Carlo simulation on a disordered FCC lattice and extract relevant thermodynamics and structural information for analysis to be performed

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