cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.bvh6y4
title: Occurrence Download

description: A dataset containing 1826381 species occurrences available in GBIF matching the query:
{
 "Country" : [
 "is Tanzania, United Republic of"
 ]
}

 The dataset includes 1826381 records from 1219 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0217690-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.13145/bacdive1757.20240510.9
title: Gardnerella vaginalis (Gardner and Dukes 1955) Greenwood and Pickett 1980 emend. Nouioui et al. 2018 emend. Vaneechoutte et al. 2019

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00172
title: Dataset for Investigation of InGaN facet-dependent non-polar growth rates and composition for core-shell LEDs

description: This dataset contains the results of scanning electron microscopy (SEM) and transmission electron microscopy (TEM) measurements carried out on core-shell nanostructures. The samples are highly regular arrays of GaN plasma etched cores onto which thick InGaN layers were grown using different metal organic vapour phase epitaxy (MOVPE) growth parameters. 
 
Three different InGaN growth conditions were considered with the following parameters: 750°C at 300 mbar, 700°C at 300 mbar and 750°C at 100 mbar. Statistical growth rates were determined on the non-polar crystal planes from measurements of increase in diameter using SEM images. TEM analysis was carried out on a single nanorod for greater detail.
description: Secondary electron images were captured using a Hitachi S-4300 scanning electron microscope (SEM).  An accelerating voltage of 5 kV was used to collect the images at constant magnification of 6000x from 5 samples, corresponding to a plasma etched GaN template, a GaN regrowth and three InGaN growths. Approximately 80 individual nanorods and their diameters are identified in each image. 

Each image was processed by binary threshold and low pass filter in Vision Assistant 2011 to obtain individual nanorod dimensions as detailed in the *.xls files. Each xls file contains separate columns for object number, calibrated area, equivalent disk diameter and image area. Statistical distributions of diameters were determined. 

A planar cross section was prepared for TEM measurements using a focused ion beam to thin down the cross section to 100-200 nm thickness. 
A Tecnai Osiris scanning-TEM (STEM) operating at 200 kV was used to obtain a high-angle annular dark-field (HAADF) Z-contrast image. The same image processing as in the SEM images was used to determine diameters and InGaN shell thickness.
description: Hitachi S-4300 scanning electron microscope (SEM) 
Focused Ion Beam (FIB) etching and platinum deposition 
Tecnai Osiris scanning transmission electron microscope (STEM)
DOI: 10.5281/zenodo.11504754
title: Dataset and pretrained MLIP (and QHA scripts) for thermosalient molecular crystal N‑2-Propylidene-4hydroxybenzohydrazide

description: model is a deployed NequIP model in the TorchScript format.

dataset.extxyz is the dataset containing 1507 structures (three forms and isolated molecules) of N-2-Propylidene-4hydroxybenzohydrazid. The dataset was used to train the model. The dataset is based on DFT calculations that have been performed using the Vienna ab-initio simulation package, VASP.6.3.0 employing r2SCAN exchange-correlation functional.

training_script_and_model_parameters.yaml is the training script with all the hyperparameters used to create the model.

ssneb_transition_path_structures.zip is a directory containing 28 structures of the transition path calculated in ssneb, from structure 0 (form I) to structure 27 (form III)

QHA files are to run/reproduce the Gibbs free energy calculations as described in the paper



 step1 creates the energy-volume curve structures

step2 calculates the thermal properties in the HA (harmonic approximation)

step3 calculate and plot Gibbs free energy  





The version of all necessary packages:

- ase                           3.22.1

- nequip                    0.5.5

- python                    3.10.4

 

For QHA: phonopy version   2.18.0
DOI: 10.5281/zenodo.11504755
title: Dataset and pretrained MLIP for thermosalient molecular crystal N‑2-Propylidene-4hydroxybenzohydrazide

description: model is a deployed NequIP model in the TorchScript format.

dataset.extxyz is the dataset containing 1507 structures (three forms and isolated molecules) of N-2-Propylidene-4hydroxybenzohydrazid. The dataset was used to train the model. The dataset is based on DFT calculations that have been performed using Vienna ab-initio simulation package, VASP.6.3.0 employing r2SCAN exchange-correlation functional.

training_script_and_model_parameters.yaml is the training script with all the hyperparameters used to create the model.

ssneb_transition_path_structures.zip is a directory containing 28 structures of the transition path calculated in ssneb, from structure 0 (form I) to structure 27 (form III)



 

The version of all necessary packages:

- ase                           3.22.1

- nequip                    0.5.5

- python                    3.10.4
DOI: 10.5281/zenodo.13789796
title: Dataset and pretrained MLIP (and QHA scripts) for thermosalient molecular crystal N‑2-Propylidene-4hydroxybenzohydrazide

description: model is a deployed NequIP model in the TorchScript format.

dataset.extxyz is the dataset containing 1507 structures (three forms and isolated molecules) of N-2-Propylidene-4hydroxybenzohydrazid. The dataset was used to train the model. The dataset is based on DFT calculations that have been performed using the Vienna ab-initio simulation package, VASP.6.3.0 employing r2SCAN exchange-correlation functional.

training_script_and_model_parameters.yaml is the training script with all the hyperparameters used to create the model.

ssneb_transition_path_structures.zip is a directory containing 28 structures of the transition path calculated in ssneb, from structure 0 (form I) to structure 27 (form III)

QHA files are to run/reproduce the Gibbs free energy calculations as described in the paper



 step1 creates the energy-volume curve structures

step2 calculates the thermal properties in the HA (harmonic approximation)

step3 calculate and plot Gibbs free energy  





The version of all necessary packages:

- ase                           3.22.1

- nequip                    0.5.5

- python                    3.10.4

 

For QHA: phonopy version   2.18.0
DOI: 10.13145/bacdive1758.20240510.9
title: Alloscardovia criceti (Okamoto et al. 2007) Killer et al. 2013 emend. Nouioui et al. 2018

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00174
title: Dataset for Tungsten Bronze Barium Neodymium Titanate (Ba6-3nNd8+2nTi18O54): an Intrinsic Nanostructured Material and its Defect Distribution

description: Accepted 10-Mar-2016
Journal:  Inorganic Chemistry

The acronym for the configurations is: 
"% of columns with substitution" - "column number" - "fraction of substitution in each column"

50_COL1_1 and 50_COL3_1 
have fully substituted sites in columns types 1 and 3 respectively but only 50% of the columns are substituted. 

100_COL2_1 
has 100% Ba substitution in columns type 2 and 100% of columns were fully substituted; 
this is because the unit cell only contains half the number of columns type 2 compared to columns types 1 and 3.

100_COL1_05 and 100_COL3_05 
have Ba substitution in 100% of columns type 1 and 3 respectively but only 50% of substitution in each column; 
substitution was performed such that Ba ions were placed to minimize Coulombic interactions.

all calcualtions are performed using the VASP code (vienna ab initio simulation package).
all information needed to reproduce the data can be found in the vasprun.xml files for each structure.
DOI: 10.15125/bath-00173
title: Dataset for "The Airy fibre: an optical fibre that guides light diffracted by a circular aperture"

description: data used in the preparation of the paper
description: The methodology for this study is described in the paper.
description: Further relevant documentation may be found in the following resources.

   Gris-Sánchez, I., Van Ras, D., and Birks, T. A.,  2016.   The Airy fiber: an optical fiber that guides light diffracted by a circular aperture.    Optica, 3(3), 270.  Available from: https://doi.org/10.1364/optica.3.000270.
DOI: 10.15125/bath-00179
title: Dataset for "The effect of age on technique variability and outcome variability during a leg press"

description: Power, velocity and lower-limb joint coordination variability data
DOI: 10.13145/bacdive1761.20240510.9
title: Parascardovia denticolens (Crociani et al. 1996) Jian and Dong 2002 emend. Nouioui et al. 2018

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00183
title: Data for "Estimation of semiconductor-like pigment concentrations in paint mixtures and their differentiation from paint layers using first-derivative reflectance spectra"

description: This repository contains key raw data to accompany the article "Estimation of semiconductor-like pigment concentrations in paint mixtures and their differentiation from paint layers using first-derivative reflectance spectra".

The repository includes a complete set of reflectance spectra recorded from the paint samples prepared for this work, plus the optimised structures and electronic density-of-states and band-dispersion curves obtained from complementary modelling studies on the three coloured pigments investigated, viz. alpha-HgS (vermillion), tetragonal Pb3O4 (red lead) and SnPb2O4 (lead-tin yellow).

Abstract of the publication:

Identification of the techniques employed by artists, e.g. mixing and layering of paints, if used together with information about their colour palette and style, can help to attribute works of art with more confidence. In this study, we show how the pigment composition in binary paint mixtures can be quantified using optical-reflectance spectroscopy, by analysis of the peak features corresponding to colour-transition edges in the first-derivative spectra. This technique is found to be more robust than a number of other spectral-analysis methods, which can suffer due to shifts in the transition edges in mixed paints compared to those observed in spectra of pure ones. Our method also provides a means of distinguishing paint mixtures from layering in some cases. The spectroscopy also shows the presence of multiple electronic transitions, accessible within a narrow energy range, to be a common feature of many coloured pigments, which electronic-structure calculations attribute to shallow band edges. We also demonstrate the successful application of the reflectance-analysis technique to painted areas on a selection of medieval illuminated manuscripts.
description: Further relevant documentation may be found in the following resources.

   Pallipurath, A. R., Skelton, J. M., Ricciardi, P., and Elliott, S. R.,  2016.   Estimation of semiconductor-like pigment concentrations in paint mixtures and their differentiation from paint layers using first-derivative reflectance spectra.    Talanta, 154, 63-72.  Available from: https://doi.org/10.1016/j.talanta.2016.03.052.
DOI: 10.13145/bacdive1763.20240510.9
title: Scardovia inopinata (Crociani et al. 1996) Jian and Dong 2002 emend. Downes et al. 2011 emend. Nouioui et al. 2018

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00178
title: Dataset for moment redistribution in FRP-strengthened RC members

description: This dataset holds the data files used to generate the figures of the article:

Tajaddini, A., Ibell, T., Darby, A., Evernden, M., and Silva, P. (2016). "Prediction of Capacity for Moment Redistribution in FRP-Strengthened Continuous RC T-Beams." J. Compos. Constr. , 10.1061/(ASCE)CC.1943-5614.0000719 , 04016066.
description: Further relevant documentation may be found in the following resources.

   Tajaddini, A., Ibell, T., Darby, A., Evernden, M., and Silva, P.,  2017.   Prediction of capacity for moment redistribution in FRP-strengthened continuous RC T-beams.    ASCE Journal of Composites for Construction, 21(1), 1-13.   Available from: https://researchportal.bath.ac.uk/en/publications/prediction-of-capacity-for-moment-redistribution-in-frp-strengthe.
DOI: 10.15125/bath-00185
title: Dataset for "Regular waves onto a truncated circular column: A comparison of experiments and simulations"

description: Dataset includes the numerical results in the following figures of paper "Regular waves onto a truncated circular column: A comparison of experiments and simulations" which has been published on Applied Ocean Research (doi:10.1016/j.apor.2016.03.011). This paper can be accessed via Elsevier green open access.

1. Fig.4 Numerical results based on different meshes (a) elevation at WPB1 (b) horizontal forces on column
2. Fig.5 Numerical results based on different widths of NWT (a) elevation at WPB1 (b) horizontal forces on column
3. Fig.6 RAOs (1st harmonics) of surface elevations at the inner circle of wave probes (see Table 1)
4. Fig.7 RAOs (1st harmonics) of surface elevations at the outer circle of wave probes (see Table 1)
5. Fig.8 QTFs (2nd harmonics) of surface elevations at the inner circle of wave probes (see Table 1)
6. Fig.9 QTFs (2nd harmonics) of surface elevations at the outer circle of wave probes (see Table 1)
7. Fig.10 RAOs (1st harmonics) and QTFs (2nd harmonics) of wave forces
8. Fig.11 Time histories and amplitude spectra of surface elevations at the inner circle of wave probes (see Table 1)
9. Fig.12 Time histories and amplitude spectra of surface elevations at the outer circle of wave probes (see Table 1)
10. Fig.14 Time histories and amplitude spectra of forces
description: Numerical simulations using potential flow solver DIFFRACT and viscous flow solver in OpenFOAM.

DIFFRACT is a FORTRAN program based on higher-order Boundary Element Method, which can analyze interactions between waves and complex structures in frequency domain. The list of publications for DIFFRACT can be found at https://scholar.google.co.uk/citations?hl=en&user=_Ec8JVUAAAAJ&view_op=list_works&pagesize=100.

The OpenFOAM® toolbox is a free, open-source CFD software package written in C++, which can solve compressible and incompressible Navier-Stokes equations on finite volume meshes. By being open source, OpenFOAM offers researchers complete freedom to customize and extend its existing functionality.
description: DIFFRACT Software: https://sites.google.com/site/liangsundut/diffract-plus

OpenFOAM Software: http://www.openfoam.com/
description: Further details of the methodology are available in the associated paper: http://opus.bath.ac.uk/49704/
description: Further relevant documentation may be found in the following resources.

https://sites.google.com/site/liangsundut/diffract-plus

https://scholar.google.co.uk/citations?hl=en&user=_Ec8JVUAAAAJ&view_op=list_works&pagesize=100

https://www.openfoam.com/

   Sun, L., Zang, J., Chen, L., Eatock Taylor, R., and Taylor, P.,  2016.   Regular waves onto a truncated circular column: a comparison of experiments and simulations.    Applied Ocean Research, 59, 650-662.   Available from: https://researchportal.bath.ac.uk/en/publications/regular-waves-onto-a-truncated-circular-column-a-comparison-of-ex.
DOI: 10.13145/bacdive1766.20240510.9
title: Aeriscardovia aeriphila Simpson et al. 2004

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive1767.20240510.9
title: Alloscardovia omnicolens Huys et al. 2007 emend. Nouioui et al. 2018

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00190
title: Dataset for Future probabilistic hot summer years for overheating risk assessments

description: Future hot summer years to be used for assessing risk of overheating and heat stress under a changing climate. They were created in two alternative ways: one is based on Weighted Cooling Degree Hours, the other is based on Physiologically Equivalent Temperature.
description: Future weather data was generated by UKCP09 weather generator. Weather data in 2050s under high emission scenario was generated for fourteen UK locations.
description: UKCP09 weather generator provides future weather data which were used for creating new future weather files to be used in building simulation packages.
description: The future weather files are in the format of epw which can be used in building simulation packages such as EnergyPlus, DesignBuilder and IES. Any software which opens text file can be used to view the data.
DOI: 10.15125/bath-00194
title: Dataset for An Explicit Method for Simulation of Cracking Structures Based on Peridynamic Theory

description: The behaviour of cracked concrete is hard to model with differential equations because that method relies on a hypothesis of material continuity, violated by the cracks. Peridynamic theory provides an alternative model that does not rely on material continuity, and the paper "An Explicit Method for Simulation of Cracking Structures Based on Peridynamic Theory" describes a numerical method to solve the peridynamics equations using a simple explicit scheme based on the Euler method, where the spatial discretisation consists of a finite set of material
particles and inter-particle bonds.

The dataset comprises tables of numerical results output by the proposed method, alongside comparator results from the Finite Element Method (FEM) and classical elastic theory. These tables were used to generate Figures 4, 5, 8, 9, 10, and 14 in the paper.
description: The mathematical models and inputs used generate the data are fully described in the associated manuscript.
description: Further relevant documentation may be found in the following resources.

   Miranda, H., Williams, C., and Orr, J.,  2016.   An explicit method for simulation of reinforced concrete structures based on peridynamic theory.     In:  The 12th World Congress on Computational Mechanics, (WCCM) XII, 2016.         Available from: https://researchportal.bath.ac.uk/en/publications/an-explicit-method-for-simulation-of-reinforced-concrete-structur.
DOI: 10.13145/bacdive1768.20240510.9
title: Bombiscardovia coagulans Killer et al. 2014

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00189
title: Low-loss single-mode performance in anti resonant hollow-core fibers

description: All data for the results of publication
description: 1. Fibre attenuations measurement
The fibre attenuations were measured by the cutback measurement. A tungsten lamp was used as the light source. A short piece of single-mode optical fibre (SMF28, less than 0.5 m) was used to couple light from the light source into hollow core fibres (HCFs).  A optical spectrum analyser (ANDO aq-6315b) was used to record the spectra before and after the cut-back.

The coupling between SMF28 and light source was free space. The other end of SMF28 approached to HCF as close as possible. The near field patten of output of HCF was monitored by a CCD camera (DMK 41BU02). While moving SMF28 across HCF end, the output mode pattern changed with the intensity. When the output pattern became most fundamental-mode like with the highest intensity, SMF28 was fixed in place through the cutback measurement.

2. Mode excitation
The mode excitation in HCFs was recorded by CCD camera while 2D scanning the butt-coupling between SMF28 and HCFs as described in 1. Fibre attenuation measurement.

3. S2 measurement
S2 measurement in the manuscript adopted the same methodology described in J. W. Nicholson, A. D. Yablon, S. Ramachandran, and S. Ghalmi, "Spatially and spectrally resolved imaging of modal content in large-mode-area fibers," Opt. Express 16, 7233-7243 (2008). 

A home-made supercontinuum light source was used as the whitelight source. YOKOGAWA AQ6370D optical spectrum analyser was used to record the spectral fringes. LABVIEW program controlled the XY stage at the imaging plane of HCF output. The XY stage was made by two translation stages PI M-126.DG1 and THORLABS ZST.
description: Further relevant documentation may be found in the following resources.

   Nicholson, J. W., Yablon, A. D., Ramachandran, S., and Ghalmi, S.,  2008.   Spatially and spectrally resolved imaging of modal content in large-mode-area fibers.    Optics Express, 16(10), 7233.  Available from: https://doi.org/10.1364/oe.16.007233.
DOI: 10.15125/bath-00193
title: Energy behaviour change model validation

description: This dataset includes psychological data (environmental values, success expectancy, perceived barriers for pro-environmental behaviour, general energy literacy) and electricity consumption data for 20 households in Exeter, UK. This dataset was created within the ENLITEN project funded by EPSRC (grant number EP/K002724/1)
description: The conceptual model described in the paper, “A Cognitive Agent-Based Model for Energy Behaviour Change Interventions” (Mogles, N., Padget, J., Gabe-Thomas, E., Walker, I., Lee, J.) was implemented in the MATLAB environment.

The file containing the code for running model simulations is called energy_beh_change_model.m and it was run using MATLAB version MATLAB_R2014b.
DOI: 10.15468/dl.vjhvkv
title: Occurrence Download

description: A dataset containing 39 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is New species of Ochodaeus Dejean from Madagascar II (Coleoptera: Scarabaeoidea: Ochodaeidae)"
 ]
}

 The dataset includes 39 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022830-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.13145/bacdive1770.20240510.9
title: Bogoriella caseilytica Groth et al. 1997

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive1771.20240510.9
title: Georgenia muralis Altenburger et al. 2002

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15125/bath-00200
title: Dataset for Cobalt(I) olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films

description: Data included in the publication Cobalt(I) olefin Complexes: Precursors for Metal-Organic Chemical Vapor Deposition of High Purity Cobalt Metal Thin Films: including XPS files, TGA, IT-TGA excel files, SEM images and Vapor Deposition Data.
description: Further relevant documentation may be found in the following resources.

   Hamilton, J. A., Pugh, T., Johnson, A. L., Kingsley, A. J., and Richards, S. P.,  2016.   Cobalt(I) olefin complexes: precursors for metal-organic chemical vapor deposition of high purity cobalt metal thin films.    Inorganic Chemistry, 55(14), 7141-7151.   Available from: https://researchportal.bath.ac.uk/en/publications/cobalti-olefin-complexes-precursors-for-metal-organic-chemical-va.