1056 research outputs found
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Dataset for "Production of sub-10 micrometre cellulose microbeads using isoporous membranes"
No full textMain data for figure in the manuscript "Production of sub-10 micrometre cellulose microbeads using isoporous membranes". The data for Figure 3a shows Capillary number values and Weber number values used for operating the droplet generation membrane assembly containing the isoporous membrane. The corresponding membrane pore diameters used to obtain the values are given together with for both the numbered and unnumbered points on the Figure 3a plot.Data was derived experimentally as described in the manuscript
Dataset for the undrained shear strength and index properties of Charmouth Mudstone Formation samples excavated near Banbury, Oxfordshire, UK
No full textThese csv files include data describing the classification properties, chemical testing and undrained shear strength of Charmouth Mudstone Formation (Lias Group) samples. Data not included in the publication have been removed.This data was collected as part of a commercial ground investigation by multiple contractors near Banbury, Oxfordshire, UK. The data was provided by HS2 Ltd in the AGS4 Data Format. The data were stored in AGS format, describing the output of each test or inspection type. The data were filtered and manipulated to link the different types of laboratory test undertaken on each sample. The laboratory test data were linked to recorded borehole observations, such as the weathering profile. This was undertaken using MATLAB code to identify the borehole location and sampling depth. The data were interpreted at the University of Bath.The data relate directly to the Figures in the publication. The weathering classifications were determined from the logger descriptions by the authors.The 'Notes' Tab describes the dataset and column headings
Matterport3D 360° RGBD Dataset
No full textThis dataset is an extension of Matterport3D that contains data to train and validate high resolution 360 monocular depth estimation models. The data is structured in 90 folders belonging to 90 different buildings storing a total of 9684 samples. Each sample of the dataset consists of 4 files: the RGB equirectangular 360 image (.png), its depth ground-truth (.dpt), a visualisation of the depth ground-truth (.png) and the camera to world extrinsic parameters for the image (.txt) saved as 7 parameters: 3 for the camera center and the last 4 for the XYWZ rotation quaternion
Dataset for "Using In-Plane Anisotropy to Engineer Janus Monolayers of Rhenium Dichalcogenides"
No full textThe class of Janus two-dimensional (2D) transition metal dichalcogenides with two different interfaces is interesting due to the possibility to access properties different from the typical 2D materials. This dataset contains Quantum Espresso input files necessary to reproduce the density functional theory calculations within the associated publication. We used them to study the structural stability of 29 distinct ReX_{2-x}Y_{x} (X,Y=S,Se) structures, which can be obtained by selective exchange of exposed chalcogens in a ReX2 monolayer as well as to examine the lattice properties and electronic properties of the most stable Janus monolayers for given chalcogen composition. Additional information on the computational details of our work can be found in the Methods section of the published paper and the Supplemental Material linked to it.Plane wave density functional theory self consistent field calculations of electronic and phononic band structure.Quantum Espresso input files necessary to obtain electronic and phononic dispersions, formation energies and work functions for Janus monolayer of rhenium dichalcogenides. For interpretation of these input files and contents of the output files see the Quantum Espresso documentation.Quantum Espresso version 6.7 (GNU open source licence). See https://www.quantum-espresso.org/All files are plain text. Files "Re.atom.in", "S.atom.in" and "Se.atom.in" were used to obtain total energies of the respective elements in their crystal forms. The folders ReS2 and ReSe2 contain input files for the respective pristine materials and Janus monolayers derived from these via sulfurization or selenization. Subfolders "Xsub", X=1,2,3, contain files for structures with X chalcogens exchanged from one species to the other (S to Se or vice versa). Subfolders "Janus" contain files describing the full Janus structures, ReSSe or ReSeS. Finally, the atomic species occupying each lattice site can be determined from the input files (which list the species and position of each site) by comparison to the published paper
TIEGCM Halloween Experiments – Halloween ionosphere (a)
No full textThis dataset contains the model run for the period between 15 and 16 October 2003, with the ionospheric fields replaced with the corresponding fields from the storm time run (29 to 30 October 2003) at 6 a.m. on 15 October.Full details of the methodology may be found in the 'Method' section of the associated paper.Details about this dataset are available from the main record: https://doi.org/10.15125/BATH-0057
TIEGCM November Experiment – November typical day (u)
No full textThis dataset contains the model run for the period between 16 and 17 November 2003, representing a typical period.Full details of the methodology may be found in the 'Method' section of the associated paper.Details about this dataset are available from the main record: https://doi.org/10.15125/BATH-0057
Data from the parametric analysis of masonry buttressed arches with limit analysis subjected to vertical self-weight plus a proportional concentrated vertical live load applied at quarter-span
No full textFor each one of the simulations performed from the parametric analysis of masonry buttressed arches with limit analysis subjected to vertical self-weight plus a proportional concentrated vertical live load applied at quarter-span, this database contains a .txt, a .vtk and a .png file. In the .txt file the elapsed time and the collapse multiplier of each simulation can be found. The .vtk file contains all the geometry and displacement values of every masonry buttressed arch. Finally, the .png file presents the collapse mechanism obtained
Maple Code for "Locating Schumann Resonant Frequencies on a Single Particle Radiation Patterns Using Golden Ratio Spiral"
No full textPredicting and locating Schumann resonances on a different single particle radiation patterns using Golden ratio spiral. Theoretically predicted radiation patterns in the Dataset for "Asymmetric Backward Peaking Radiation Pattern from a Relativistic Particle Accelerated by Lightning Leader Tip Electric Field" are used in conjunction with the Golden ratio spiral, which is explained in the paper "Locating Schumann Resonant Frequencies on a Single Particle Radiation Patterns Using Golden Ratio Spiral", to locate Schumann resonances. This theoretical idea is simulated for prediction and demonstration using a Maple software package that just consists of equations explained in the two aforementioned papers. Maple 2018.2 version was used on a 16Gb RAM computer to simulate the results.Maple 2018.2 version was used on a 16Gb RAM computer to simulate the results
Dataset for "Soliton dynamics in lithium niobate nano-waveguides"
No full textThis dataset contains simulated data and data from analytic predictions of soliton propagation in lithium niobate nano-waveguides. The data is grouped into four folders: two of these contain animations of simulated soliton and pulse propagation, the other two contain simulated and predicted data for soliton propagation under the influence of the Raman effect. These data are provided to aid the understanding of thesis and are in addition to other datasets produced for the publication of the work previously (see documentation section for more info).The simulation data contained within this archive were produced by numerical simulation of pulse propagation in lithium niobate nano-waveguides. This simulation was done using the well known split-step Fourier method. The visualisation of the results shown for figures 4-4 and 4-5 are produced by the commonly used XFROG (cross-correlation frequency resolved optical gating) spectrogram in which both spectral and temporal features of the simulation can be observed at once. Simulation data for figures 5-7 and 5-8 are given in both the time and frequency domains and predictions are made using the theory we have developed for self-frequency shift in two-component solitons.
All these methods are explained in more detail in the thesis to which this dataset is associated.The thesis "Soliton dynamics in lithium niobate nano-waveguides" contains three research chapters with the majority of their content copied verbatim from three publications. These publications have their own archived datasets and so the majority of the research data from the thesis is contained within those pre-existing datasets. This dataset provides research data for parts of the thesis that were not contained within those three publications and is therefore missing from the pre-existing datasets. Links to the three pre-existing datasets can be found in the 'Related datasets and code' section of this dataset
Dataset for "Machine learning and semi-empirical calculations: A synergistic approach to rapid, accurate, and mechanism-based reaction barrier prediction"
No full textModern quantum mechanical modelling methods, such as Density Functional Theory (DFT), have provided detailed mechanistic insights into countless reactions and have been used in the design of a handful of chemical transformations. However, their computational cost inhibits their ability to rapidly screen large numbers of substrates and catalysts in reaction discovery. For a C-C bond forming Nitro-Michael addition, we introduce a synergistic semi-empirical quantum mechanical (SQM) and machine learning (ML) approach that achieves the fast and accurate prediction of DFT-quality free energy activation barriers using purely SQM-derived data. This dataset includes all the structural data, in the form of Gaussian16 (Revision A.03) output files, for the Nitro-Michael reaction used for this machine learning analysis.Uncatalysed reactant and transition state geometries for 1000 Nitro-Michael addition reactions were built using Schrödinger’s R-Group Enumeration by varying at four positions of a generic Michael acceptor core with common organic fragments. In addition to the nucleophile, uncatalysed reactant and transition state geometries for a further 37 biologically important Nitro-Michael addition reactions from literature were built in Gaussian16 (Revision A.03). All reactant and transition state structures were conformationally searched using Schrödinger’s MacroModel (version 12.7). All structures were subsequently optimised using Gaussian16 (Revision A.03) using several different molecular modelling methods
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