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Neutron Cross Sections generated and used during the project: "Feasibility of the use of frozen walls in molten salt fast reactors (MSFR-FW)"
No full textThe data enclosed in this repository is associated with the manuscripts submitted to the European Physical Journal - Nuclear mid February 2019 and Nuclear Engineering and Design end of March 2019. The articles are adaptations of conference papers presented at the ICONE26 Conference in London, July 2018, the CFD4NRS-7 Workshop in Shanghai, September 2018 and the NUTHOS-12 topical meeting in Qingdao, October 2018.
The data are neutron cross-sections, which were generated during the project "Feasibility of the use of frozen walls in molten salt fast reactors (MSFR-FW)". The neutron cross sections take the form of ascii files that have been formatted for the DYN3D-MG code.
The subdirectory coreregion contains the reactor core neutron cross sections for the fuel salt eutectic LiF-PuF3-UF4 over the temperature range 623.15 K - 1198.15 K. The cross-sections were used in the coupled neutronic and computational fluid dynamic simulation of a cylindrical reactor with a low resolution.
The subdirectory coreandreflector contains the reactorcore, wall and reflector neutron cross sections for the fuel salt eutectic LiF-PuF3-UF4 over the temperature range 623.15 K - 1198.15 K. The cross-sections were used in the coupled neutronic and computational fluid dynamic simulation of a reactor with the EVOL-optimized configuration.
Below 814.22 K the fuel salt eutectic is assumed solid. All cross-sections above 841.55 K temperature are liquid. Between these temperatures the media is assumed to be a temperature dependent mixture of solid and liquid phases. Details of the assumed physical properties of the fuel-salt eutectic are given in the above references.
The raw data was prepared using the SCARF (scarf.rl.ac.uk). The data was generated using SERPENT (http://montecarlo.vtt.fi/). SERPENT (version 2.1.29) modelled the neutronic behaviour of the molten salt fast reactor using the Monte Carlo method. The data was reformatted for the nodal neutron diffusion solver DYN3D-MG (https://www.hzdr.de/db/Cms?pOid=11771&pNid=542) to read. This is the format in which neutron cross-sections are given.EPSRC Grant No. EP/R001618/1;
H2020-EU.1.2.2. - FET Proactive Grant No. 67156
Tribenzotriquinacene
No full textInelastic Neutron Scattering spectrum of Tribenzotriquinacene, C22H16, measured on the TOSCA instrument
Dataset for the publication: "The methyl torsion in unsaturated compounds" published in ACS Omega (2019) by Zachariou et al.
No full textThis dataset contains the information (both experimental and computational) that was the basis of the paper: "The methyl torsion in unsaturated compounds" which was published in ACS Omega (2019).
The dataset consists of a README file ("README_Zachariou_Methyl-torsion_dataset.txt " which has a detailed description of the data and four directories: "A-Experimental_INS_spectra", "B-CASTEP", "C-Gaussian" "D-Calculated_INS_spectra" that hold the data. The contents of "A-Experimental_INS_spectra" were recorded with TOSCA at ISIS (Chilton, UK), those of "B-CASTEP" were generated using the CASTEP computational package (version 17.21.), those of "C-Gaussian" were generated using the Gaussian 09W computational package (version 9.5) and those of "D-Calculated_INS_spectra" were generated using either of the programs ACLIMAX or AbINS (the latter is available within Mantid: https://www.mantidproject.org/Main_Page ).EP/R026939/1, EP/R026815/1, EP/R026645/1, EP/R027129/1 and EP/M013219/
Tribromochloromethane
No full textInelastic Neutron Scattering spectrum of Tribromochloromethane, CBr3Cl, measured on the TOSCA instrument
Indane
No full textInelastic Neutron Scattering spectrum of Indane, C9H10, measured on the TOSCA instrument
Carbon tetrachloride
No full textInelastic Neutron Scattering spectrum of Carbon tetrachloride, CCl4, measured on the TOSCA instrument
Biggles PLOS one submission data
No full textData accompaning manuscript "A global sampler of single particle tracking solutions for single molecule microscopy"BB/G006911/
Phenylcyclohexane
No full textInelastic Neutron Scattering spectrum of Phenylcyclohexane, C12H16, measured on the TOSCA instrument
Bicyclohexane
No full textInelastic Neutron Scattering spectrum of Bicyclohexane, C12H22, measured on the TOSCA instrument
Figures and Tables from the journal article: "On the numerical modelling of frozen walls in a molten salt fast reactor"
No full textThe data enclosed in this repository is associated with the manuscript for an article "On the numerical modelling of frozen walls in a molten salt fast reactor" submitted to the Nuclear Engineering and Design Journal at the end of March 2019. The article was selected for the CFD4NRS-7 Special Issue of the Journal. The data in the article was presented at the CFD4NRS-7 Workshop in Shanghai, September 2018 and the NUTHOS-12 topical meeting in Qingdao, October 2018.
The data is in the form of figures and tables. The figures in the corresponding directory were prepared using bash scripts, python version 2.7, gnuplot version 4.6 and latex to extract and analyse simulated data. The tables in the corresponding directory were prepared using bash scripts and python version 2.7 to extract and analyse simulated data. The python scripts can be found in the repository. Note that numpy is a requirement.
The raw data was prepared using the SCARF (scarf.rl.ac.uk), CIRRUS (cirrus.ac.uk), University of Liverpool (https://www.liverpool.ac.uk/csd/advanced-research-computing/facilities/high-performance-computing/) and SCAFELLPIKE (http://community.hartree.stfc.ac.uk/wiki/site/admin/home.html) clusters. There is inexcess of 10Gb of data generated by the solvers Code_Saturne (https://www.code-saturne.org/cms/), DYN3D-MG (https://www.hzdr.de/db/Cms?pOid=11771&pNid=542) and SERPENT (http://montecarlo.vtt.fi/).
Code_Saturne (version 5.0) was used to perform simulations of thermal fluid dynamic and conjugate heat transfer of a molten salt fast reactor. The models studied the formation of frozen salt films on cooled reactor vessel walls. DYN3D-MG modelled the nodal diffusion neutronic behaviour of the molten salt fast reactor. SERPENT (version 2.1.29) modelled the neutronic behaviour of the molten salt fast reactor using the Monte Carlo method. Both Code_Saturne and DYN3D-MG were coupled to one another in 3-D simulations of the reactor. The coupling procedures were implemented with the Multiscale Universal Interface, MUI (https://github.com/MxUI/MUI).EPSRC: Grant No. EP/R001618/1; H2020-EU.1.2.2. - FET Proactive Grant No. 67156