305,178 research outputs found
Data supporting University of Southampton Doctoral thesis 'Simulation of Lubricant Properties and their Interactions with Surfaces'
No full textThis very large dataset (539 GB) is available on request in part or whole please complete the form for access https://library.soton.ac.uk/datarequest
The folders 2_feb_supp4_results.zip up to retrieve_200_reax_comp_archer.zip, include files and results of Chapter 5 of the thesis (Confined NEMD simulations).
The folders 24_Oct_20_3more_temps_pao2_viscos_t150_1_6.50.zip up to finalextra16_t100_9000.zip, include files and results of Chapter 4 of the thesis (Bulk NEMD simulations).
The folders 26_Oct_glyc_t30dens1_10k_1.zip up to the end of the list, include files and results of Chapter 3 of the thesis (EMD simulations)*.
*Note: The last two zips in this list, 9_jan_21_young_file_retrieve_100_ft2_lite_sim_ReaxFF_compression.zip and 9_jan_21_young_file_retrieve_200_ft1_lite_sim_ReaxFF_compression.zip belong to Chapter 5 of the thesis (Confined NEMD simulations)
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The marriage record of Graves, W. H. and Mathas, Mary E
No full textMarriage license for W.H. Graves and Mary E. Mathas. William Groves was the Justice of the Peace
Simulation of Lubricant Properties and their Interactions with Surfaces
No full textThe behaviour of lubricants at operational conditions, such as at high temperatures and pressures, is a topic of great industrial interest. In particular, viscosity and the viscosity-pressure relation are especially important for applications and their determination by computational simulations is very desirable. In this thesis we evaluate methods to compute these quantities based on fully atomistic molecular dynamics simulations which are computationally demanding but also have the potential to be most accurate. We tested several molecules that are used as lubricants, such as 9,10-dimethyloctadecane, main component of PAO-2 base oil, which was used as the main lubricant for our simulations. The methods used for the viscosity simulations are the Green-Kubo equilibrium molecular dynamics (EMD-GK), the direct computation of viscosity from shear during non-equilibrium MD (NEMD) and the use of confined NEMD, where the fluid is confined within explicitly defined iron oxide wall surfaces, at pressures of up to 1.0 GPa and various temperatures (40-150 degrees Celsius). We present the theory behind these methods and investigate how the simulation parameters affect the results obtained, to ensure viscosity convergence with respect to the simulation intervals and all other parameters. We show that by using each method in its regime of applicability, we can achieve good agreement between simulated and measured values. NEMD simulations at high pressures captured zero shear viscosity successfully, while at 40 degrees Celsius EMD-GK is only applicable to pressures up to 0.3 GPa, where the viscosity is lower. In NEMD, longer and multiply repeated simulations reduce the standard deviation of viscosity, which is essential at lower pressures. Additionally, by using confined NEMD simulations, it was demonstrated that the film thickness of the fluid affects viscosity, and as we increase the number of lubricant molecules, we approach the viscosity value of the bulk fluid derived from NEMD simulations.Another aspect of these methods is the choice of the utilised force field for the atomic interactions. This was investigated by selecting three different commonly used force fields. We have explored several methods for calculating viscosity and we obtained results of particular industrial interest.<br/
Data supporting the thesis 'Simulations of rheological properties of lubricants under operational conditions'
No full textThe dataset is divided in
IDEAL : This folder contains the data regarding the result chapter on Ideal mixtures of two esters obtained via LAMMPS software. It contains the input files, output files, jupyter notebooks with the analysis as well as molecular dynamics trajectories and files to reproduce the simulations and data.
MIXTURE2: This folder contains the data regarding the mixture 2 (non-ideal mixtures result chapter) obtained via LAMMPS software. Specifically, it contains the input files, output files, jupyter notebooks with the analysis as well as molecular dynamics trajectories and files to reproduce the simulations and data.
MIXTURE2: This folder contains the data regarding the mixture 2 (non-ideal mixtures result chapter) obtained via LAMMPS software. Specifically, it contains the input files, output files, jupyter notebooks with the analysis as well as molecular dynamics trajectories and files to reproduce the simulations and data.
Bicyclo_Butylbenzene: This folder contains the data regarding the two of the component of the mixtures used in the non-ideal mixtures result chapter obtained via LAMMPS software. Specifically, it contains the input files, output files, jupyter notebooks with the analysis as well as molecular dynamics trajectories and files to reproduce the simulations and data.
Non_ideal_1_2_4GPa and non_ideal_1bar_05GPa : These folders contain the data regarding the mixture 1 of the non-ideal result chapter obtained via LAMMPS software. Specifically, it contains the input files, output files, jupyter notebooks with the analysis as well as molecular dynamics trajectories and files to reproduce the simulations and data.
CONFINED: This folder contains the data regarding the result chapter on confined system obtained via LAMMPS software. It contains the input files, output files, jupyter notebooks with the analysis as well as molecular dynamics trajectories and files to reproduce the simulations and data. Part of the data necessary to reproduce the data in chapter have been published in another thesis, ref. to doi:10.5258/SOTON/D2436
Hematite: This folder contains the data regarding the result chapter on hematite+zddp obtained via the ONETEP software. It contains the input files, output files, jupyter notebooks with the analysis as well as pseudopotential and any file needed to reproduce the work.
this large dataset 515GB is available 'on request' due to size. Please complete the request form at
https://library.soton.ac.uk/datarequest</span
Going Beyond Counting First Authors in Author Co-citation Analysis
No full textThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Dispelling the Myths Behind First-author Citation Counts
No full textWe conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued
use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation
counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more
sophisticated methods
A new broccoli × broccoli immortal mapping population and framework genetic map: tools for breeders and complex trait analysis
No full textA unique broccoli x broccoli doubled haploid (DH) population has been created from the F-1 of a cross between two DH broccoli lines derived from cultivars Green Duke and Marathon. We genotyped 154 individuals from this population with simple sequence repeat and amplified fragment length polymorphism markers to create a B. oleracea L. var. italica 'intra-crop' specific framework linkage map. The map is composed of nine linkage groups with a total length of 946.7 cM. Previous published B. oleracea maps have been constructed using diverse crosses between morphotypes of B. oleracea; this map therefore represents a useful breeding resource for the dissection of broccoli specific traits. Phenotype data have been collected from the population over five growing seasons; the framework linkage map has been used to locate quantitative trait loci for agronomically important broccoli traits including head weight (saleable yield), head diameter, stalk diameter, weight loss and relative weight loss during storage, as well as traits for broccoli leaf architecture. This population and associated linkage map will aid breeders to directly map agronomically important traits for the improvement of elite broccoli cultivars
Author, publisher and bookseller : a tripartite synergy in Nigerian book industry
No full textThis work is about the roles of Author, Publisher and Bookseller in Book development in
Nigeria. The paper started by delving into the history of Book Publishing in Nigeria after
which it proceeded by defining who an author, a publisher, and a bookseller is and
expatiated on the indispensable roles of these key actors in Nigerian Book Industry and in
the emerging Information Society. Furthermore, the various constraints to book
development were identified while the paper advised on how the Book Industry can be
further promoted in Nigeria. However, the paper concluded and made recommendations
on how the Book sector can help in enhancing scholarship in the country
[Report to Chief J. E. Curry, by an unknown author #2]
No full textReport to Chief J. E. Curry, by an unknown author. The report contains a list of officers who gave depositions to the United States Attorney
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