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The dataset for "Measuring chirality in the far-field from a racemic nanomaterial: diffraction spectroscopy from plasmonic nanogratings"
This dataset contains data on gold plasmonic nanogratings used for diffraction circular intensity difference spectroscopy. The data was collected to first characterise the various nanogratings studied using atomic force microscopy - the nanogratings show a lattice constant of 1.2 (square-ring and S-shaped) and 2.4 micrometres (L-shaped) respectively. All nanogratings are about 35 nm thick and have an arm width of 200 nm. Second, circular intensity difference spectroscopy was used to study the chiroptical response of those nanogratings. Strong chiroptical responses were measured from the S- and L-shaped nanogratings. The experimental results were supported by rigorous numerical simulations carried out in Lumerical as well as a Fourier modal analysis. The users who would like to find out more in depth can then refer to the Documentation sectionThe atomic force microscopy micrograph in Figure 1d was acquired with a Multimode Scanning Probe Microscope (VEECO) operating in contact mode. The data was exported as a text file.
The experimental setup consisted of a Fianium SC400-2 2 W laser source with a 1064 nm output wavelength and 20 MHz repetition rate and a 5 ps pulse spliced to an in-house fabricated supercontinuum fibre providing a spectrum between 450 and 1050 nm. Two achromatic linear Glan-Laser polarizers were used to control the power output and a remotely controlled quarter-waveplate (QWP) to selectively produce LCP and RCP light. The sample was mounted on an alignment disk, which in turn was mounted on x-y-translation stage placed in the centre of an optical breadboard. The breadboard was mounted on a remotely controlled rotation stage. The diffracted light from the sample was collected via a 200 µm core diameter multimode fibre (0.22 NA) mounted on a fibre launch system mounted on the breadboard at a distance of 15 cm and measured with an Ocean Optics QE Pro spectrometer. The light coupling into the fibre was optimized with a 20x microscope objective with 0.4 NA and 9 mm focal length. The automated setup used a step size of 0.5 °, the spectrometer used an integration time of 30 ms and was averaged over 50 scans. The data was saved as csv files, which were processed using the procedure described in "data processing".
The full-wave simulations were conducted by an FDTD solver, Lumerical. In the simulations, the incident LCP and RCP plane waves are generated by superposing two 90 degrees phased plane waves which are linearly polarized along the x- and y-directions. All layers in the sample have been taken into account. In detail, the Au layer is modelled by the material data from Johnson and Christy, the Cr layer and the Si layer is modelled by the material data from Palik and the reflective index of the SiO2 layer is assumed to be 1.5. It should be noted that instead of using the nominal thickness, the Au layer is assumed to be 50 nm. Two simulation regions are used. On the one hand, the FDTD simulation region is assumed to have periodic boundary conditions along the x- and y-directions and perfect matching layers (48 layers) along the z-direction. On the other hand, a mesh refinement region including both the Au and Cr layers is imposed to the S-shape structures, the L-shape structures, and the square-rings. The mesh steps along x, y and z directions are 10 nm, 10 nm and 1.5 nm, respectively. The data was saved as .mat files and the data processing of the data is described in the "data processing".The data processing scripts have been included in the "plotting_scripts" folder. Move the individual scripts into the folders containing the data. The scripts are for the processing and plotting.
For the experimental scripts to work, create a folder called "data" and move the individual data folders into it. Change the name of the global variable "MY_FOLDER" (line 31) to the target data folder and adjust the "LATTICE_CONSTANT" (line 23) - 2.4E-6 for L-shaped and 1.2E-6 for square-ring and S-shaped. The script was written with Python 3.6.
At the end of the script, various plotting options can be chosen (by commenting out / removing commenting of the required code-blocks)
The AFM data was plotted with Python 3.6 in a Jupyternotebook.
The Simulation data was plotted in MATLAB2016b
Dataset for "Influence of clay minerals and associated minerals in alkali activation of soils"
Chemical characterisation data describing the precursors and cured products formed when reacting natural and synthetic soils with sodium hydroxide solution.For particle size distribution (Fig. 1):
The particle size distribution was measured by a combination of wet-sieving, to measure particle grading from 2 mm – 63 μm, and hydrometer testing, to measure particle grading < 63 μm by using the principle of Stokes’ Law to measure particle size by the time taken for particles to fall out of suspension in water.
For plastic limit (Fig. 2):
Atterberg plastic limit measurements were taken for montmorillonite and illite over a range of sodium hydroxide solution concentrations, based on BS 1377-2:1990. From these data a best fit line was plotted to extrapolate the volume of solution required to reach plastic limit consistency for a given concentration. A correction was made to exclude the mass of the sodium hydroxide from the solids mass in the plastic limit calculations.
For XRD (Figs. 4, 5, 6, 7, A2):
Powder X-ray diffraction (PXRD) analysis was done to identify phases with a Bruker D8 Advance instrument using monochromatic CuKalpha1 L3 (λ = 1.540598 Å) X-radiation and a Vantec superspeed detector. A step size of 0.016° (2θ) and step duration of 0.3 seconds were used. Phase identification was done using Bruker EVA software. Patterns were corrected for sample height shift by calibrating to the most intense quartz reflection (101) at 26.6° (2θ).
For FTIR (Figs. 11, 12, 13):
Fourier Transform Infrared Spectroscopy (FTIR) was done to characterise molecular bonding, using a Perkin-Elmer Frontier with a diamond Attenuated Total Reflectance (ATR) head. Spectra were collected over a range of 4000-600 cm⁻¹ using a resolution of 4cm⁻¹ and 5 scans per spectrum. Corrections were made for ATR and background using Perkin-Elmer Spectrum software.
For TGA/MAS (Figs. 14, 15, 16):
Thermogravimetric analysis (TGA) was done to characterise thermal behaviour, using a Setaram Setsys Evolution TGA over a range of 30 to 1000 °C at a heating rate of 10 °C/minute. An air atmosphere was used, with a flow rate of 20 ml/minute. A connected mass spectrometer was used (Pfeiffer Omni) to identify whether evolved gas species contained OH, H2O, CO or CO2
Dataset for "Native Defects and their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12"
This dataset contains the computational data and analysis for the paper "Native Defects and their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12". It includes input and output files for the density functional theory (DFT) calculations, performed using VASP. Data extraction relies on the vasppy Python module (https://github.com/bjmorgan/vasppy, https://doi.org/10.5281/zenodo.801663), available under the MIT licence.All calculations were performed using VASP. Input files for each calculation are contained within the dataset.Relevant data were extracted using the included `vasppy_summary` script available as part of the `vasppy` Python module (https://github.com/bjmorgan/vasppy). Analysis of extracted data available at https://github.com/alexsquires/native_defects_in_llzo
Dataset for "Phase formation behaviour in alkali activation of clay mixtures"
Chemical characterisation data describing the precursors and cured products formed when reacting mixtures of clay minerals (kaolinite, montmorillonite and illite) with sodium hydroxide solution.For XRD data (Figs. 1, 3, 4, 5, 6):
Powder X-ray diffraction (PXRD) analysis was done to identify phases with a Bruker D8 Advance instrument using monochromatic CuKalpha1 L3 (λ = 1.540598 Å) X-radiation and a Vantec superspeed detector. A step size of 0.016⁰(2θ) and step duration of 0.3 seconds were used. Phase identification was done using Bruker EVA software. Patterns were corrected for sample height shift by calibrating to the most intense quartz reflection (101) at 26.6 °(2θ).
For FTIR data (Figs. 6, 10, 11, 12, 13)
Fourier Transform Infrared Spectroscopy (FTIR) was done to characterise molecular bonding, using a Perkin-Elmer Frontier with a diamond Attenuated Total Reflectance (ATR) head. Spectra were collected over a range of 4000-600 cm-1 using a resolution of 4cm-1 and 5 scans per spectrum. Corrections were made for ATR and background using Perkin-Elmer Spectrum software
Dataset for Charge-driven interfacial gelation of cellulose nanofibrils across the water/oil interface
The Dataset for Charge-driven interfacial gelation of cellulose nanofibrils across the water/oil interface contains data, in the form of Excel files, for the figures shown in the associated manuscript and the supplementary information. Each Excel file is specific for a set of data acquired utilising the same protocol.
In the Excel file named "Data_rheology_Fig2_3_S4_S5", the rheological data presented in Figures 2 and 3 of the manuscript and Figures S4 and S5 from the supplementary information are shown. The data are subdivided in different spreadsheets in according to the concentration of oxidised cellulose nanofibrils (OCNF) and ionic strength employed (NaCl concentration in mM), as specified at the top of each spreadsheet.
In the Excel file named "Data_rheology_Fig4", the rheological data presented in Figure 4 are shown. For all the rheological data, parameters as Gi* (N/m), tani(d) (-), Gi' (N/m) and Gi'' (N/m) are given as function of time (h) or strain amplitude (%) as shown in the relative figures.
In the Excel file named "Data_surface tension_Fig_S1", the surface tension measured at the oil-air interface (gamma, mN/m) as a function of Oleylamine (OA) concentration (mM) is given as illustrated in Figure S1 from the supplementary material.
Specification of the materials and methods employed throughout the data collection are available in the associated manuscript.A detailed description of methodologies and materials used in this study are presented in the main manuscript under the subsection "Materials and methods".A detailed description of equipments used in this study are presented in the main manuscript under the subsection "Materials and methods"
Dataset for "The emergent structures within digital engineering work: what can we learn from dynamic DSMs of near-identical systems design projects?"
Design structure matrices (DSMs) support engineers in the management of dependencies across product and organisational architectures. This dataset contains the underlying data used to generate dynamic DSMs for the cross-project comparison of three near-identical systems design projects. The data is stored in an SQLite database and a Jupyter notebook is provided to demonstrate how to access the data.The data was collected using the FolderActivityLogger node.js package created by the authors, which can be accessed from the npm Registry
Coding of US Presidential discourse on protection
This dataset is based on NVivo coding of all clauses in US Presidential Papers (Public Papers of the Presidents of the United States 1989–2012 [Washington, D.C.: US Government Printing Office]) with the word "protect" in any of its forms. Clauses are coded for their referent objects (who is being protected). For those clauses that deal with the protection of global civilians (referent object is not US or allies, but people in other countries), coding is also done for the agent of protection and for the method of protection (protection by changing someone else's behaviour vs. protection by changing one's own behaviour).The coding rules and theoretical connections can be found in the following publications:
1. Kivimäki, Timo. The Failure to Protect. The Path to and Consequences of Humanitarian Interventionism. (Cheltenham: Edward Elgar Publishing, 2019).
2. Kivimäki, Timo. “How Does Nationalist Selfishness Creep into Cosmopolitan Protection?” Global Responsibility to Protect, vol. 10, no. 1 (January 2019).Stata files are in release 117 format, corresponding to Stata version 13
Dataset for Hollow-fiber membrane technology: Characterization and proposed use as a potential mimic of skin vascularization towards the development of a novel skin absorption in vitro model
This dataset contains data collected using capillary bed bioreactor (CBB), a new method for pseudovascularisation of skin models. The data was collected by sampling the permeate that exited the fibres, and the amount of caffeine in the samples was measured using HPLC for the purpose of assessing permeability. By observing and analyzing the data we can conclude that the new bioreactor will be more physiologically accurate than the current model and can therefore potentially refine inputs to our mechanistic models for skin sensitisation, to give us more accurate predictions of adverse outcomes. The data is organised in an Excel spreadsheet with each tab relating to a specific figure in the paper.Samples were taken every ten minutes for two hours, and in a second experiment every hour for 24 hours, and the concentration of caffeine was analyzed via HPLC (Agilent Technologies, 1260 Infinity Series). The concentration of caffeine was calculated directly comparing the area of the peaks measured via HPLC with the calibration curve obtained with caffeine standards of known concentration. The integration of the peaks was performed manually. A C18 column was used (Poroshell 120 EC-C18, 2.7 mm, 4.6 x 50 mm), and isocratic elution was chosen. The mobile phase was 75:25 acetonitrile: deionized water, and a UV-visible detector was employed (DAD Detector Signal (mAU) = 273/4 nm, Reference 360/80 nm). A calibration using caffeine solutions of known concentration was performed. The retention time of caffeine in the column used for this study was approximately 0.54 minutes.Three independent experiments were conducted and and mean calculated in excel. Data presented with error bars representing the standard deviationThe equipment used for the collection of these data was a HPLC Agilent Technologies 1260 Infinity, with DAD Detector Signal (mAU) = 273 / 4 nm, Reference 360 / 80 nm. 1 ml of total sample was measured in HPLC. The residence time for caffeine was 0.54 min, and the eluent was 75:25 MeCN:DI water. The injections were 10 microlitres at a flow rate of 1.000ml/min
Qualitative data for states of emergency: citizenship in crisis in Sierra Leone 2017
This dataset relates to an ESRC-funded project entitled State of Emergency: Citizenship in Crisis in Sierra Leone. Through ethnographic research in Freetown and Kambia (Northern Province) this project explored young people's understandings and experiences of citizenship in the aftermath of Ebola, focusing on state-society relations, expectations and the political imagination in/after crisis.
The dataset includes redacted personal field notes, information provided to participants and topic guides.Primary data was collected in Freetown and Kambia District, Sierra Leone. The project used ethnographic methods, specifically participatory observation (detailed through field notes) and discussions with young people, elders and officials.Field notes were hand written and kept in a locked cabinet. They were thoroughly redacted for the purposes of archiving.Consent was not granted for sharing interview transcripts and so these are not included in the dataset
Dataset for: "Mapping the flux penetration profile in a 2G-HTS tape at the microscopic scale: deviations from a classical critical state model"
Datasets underpinning the 6 Figures for "Mapping the flux penetration profile in a 2G-HTS tape at the microscopic scale: deviations from a classical critical state model" in Superconductor Science and Technology. The data files consist of .txt files for each figure organised in individual folders and presented in labelled columns (tab delimited). The data was acquired by scanning Hall microscopy (SHM) in two operation modes: the 'local' magnetometry mode where ‘local’ magnetic induction is measured, and the rapid 'flying' mode that makes a rapid 2D scan of the maximum field of view. The data files consist of individual graph curves and SHM images. A critical state model was used to fit the experimental data and estimate the superconducting critical temperature at different temperatures.The primary datasets are scanning Hall microscopy (SHM) used to directly image the magnetic field component perpendicular to the surface of a 10 × 14 mm2 piece of 2G-HTS tape at different temperatures ranging from 88 K down to 65 K. The microscope used is a modified commercial low temperature scanning tunnelling microscope (STM) where the tunnelling tip has been replaced by a custom-fabricated GaAs chip. The Hall probe is patterned in the two-dimensional (2D) electron gas of a GaAs/AlGaAs heterostructure, defined by the intersection of two 0.8 μm wide wires situated ∼5 μm from the Au-coated corner of a deep mesa etch that acts as an integrated STM tip. The Hall probe is mounted at an angle of 1°−2° with respect to the sample plane, with the STM tip being the closest point to the sample surface [10]. The Hall probe with ∼0.8 μm spatial resolution and ∼5 mG Hz−1/2 minimum detectable field was approached at a point approximately 1 mm from one of the long edges of the tape and then retracted ∼1 μm for fast data collection. Two operation modes were used; a rapid ‘flying mode’ where the Hall sensor makes a rapid 2D scan of the maximum field of view, and a ‘local’ magnetometry mode whereby the sensor is parked above a desired location and the ‘local’ magnetic induction measured while sweeping an external magnetic field perpendicular to the plane of the sample. By systematically acquiring SHM images at regularly spaced points on a magnetic field cycle starting from the zero field-cooled state, a spatial map can be made of the critical state established around a hysteresis loop.The SHM image data in the archive are raw as-captured data without any post-processing. The SHM data plotted are scaled by the values stated at the figure captions in the published paper.SHM image datasets are formatted as the magnetic induction in Gauss measured at each point on a 64 × 64 array of pixel positions. At the measurement temperatures of 83 K, 77 K and 65 K this corresponds to a scan range of 18 µm×18 µm, 16 µm×16 µm and 14 µm×14 µm, respectively