cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1022976
title: Structure of liquid Al and Al<sub>67</sub>Mg<sub>33</sub> alloy: comparison between experiment and simulation

description: We report data on the structure of liquid Al and an Al<sub>67</sub>Mg<sub>33</sub> alloy obtained from state-of-the-art X-ray diffraction experiments and <i>ab initio</i> molecular dynamics (AIMD) simulations. To facilitate a direct comparison between these data, we develop a method to elongate the AIMD pair correlation function in order to obtain reliable AIMD structure factors. The comparison reveals an appreciable level of discrepancy between experimental and AIMD liquid structures, with the latter being consistently more ordered than the former at the same temperature. The discrepancy noted in this study is estimated to have significant implications for simulation-based calculations of liquid transport properties and solid–liquid interface kinetic properties.
DOI: 10.6084/m9.figshare.1023006.v2
title: Syntheses and crystal structures of Eu(III) and Sm(III) perrhenate complexes with 2,2′-(imino)bis(<i>N,N</i>′-diethylacetamide)

description: Europium(III) and Sm(III) perrhenate complexes with 2,2′-(imino)bis(<i>N,N</i>′-diethyl-acetamide) (IDEA) were synthesized. From the single crystal X-ray analyses, the synthesized complexes were found to be [Eu(IDEA)<sub>3</sub>][Eu(NO<sub>3</sub>)<sub>4</sub>(ReO<sub>4</sub>)<sub>2</sub>]<sub>0.38</sub>[Eu(NO<sub>3</sub>)<sub>5</sub>(ReO<sub>4</sub>)]<sub>0.62</sub> (<b>I</b>) and [Sm(IDEA)<sub>3</sub>][Sm(NO<sub>3</sub>)<sub>4</sub> (ReO<sub>4</sub>)<sub>2</sub>]<sub>0.23</sub>[Sm(NO<sub>3</sub>)<sub>5</sub>(ReO<sub>4</sub>)]<sub>0.77</sub> (<b>II</b>). In the cationic parts [M(IDEA)<sub>3</sub>]<sup>3+</sup> (M = Eu and Sm), M(III) is nine-coordinated with three tridentate IDEA ligands. The anionic parts are located crystallographically at the same position in the unit cell. The occupancies of [M(NO<sub>3</sub>)<sub>4</sub>(ReO<sub>4</sub>)<sub>2</sub>]<sup>3−</sup> and [M(NO<sub>3</sub>)<sub>5</sub>(ReO<sub>4</sub>)]<sup>3−</sup> are 38% and 62% for Eu(III), 23% and 77% for Sm(III), respectively. The main crystallographic parameters are as follows: space group <i>P</i>2<sub>1</sub>/c, unit cell parameters <i>a</i> = 12.3811 (4) Å, <i>b</i> = 32.0748 (8) Å, <i>c</i> = 16.7287 (4) Å, β = 112.358 (1)°, <i>Z</i> = 4, <i>V</i> = 6143.9 (3) Å<sup>3</sup> for (<b>I</b>), and space group <i>P</i>2<sub>1</sub>/c, unit cell parameters <i>a</i> = 12.3597 (2) Å, <i>b</i> = 32.1599 (6) Å, <i>c</i> = 16.6762 (4) Å, β = 112.431 (1)°, <i>Z</i> = 4, <i>V</i> = 6127.0 (2) Å<sup>3</sup> for (<b>II</b>). Infrared (IR) absorption spectra of the complexes <b>I</b> and <b>II</b> support the coordination of IDEA and ReO<sub>4</sub><sup>−</sup> to M(III) through each carbonyl oxygen and one oxygen.
DOI: 10.6084/m9.figshare.1022975.v2
title: Repetitive Ultra-low Stress Induced Nanocrystallization in Amorphous Cu‒Zr‒Al Alloy Evidenced by <i>in situ</i> Nanoindentation

description: Stress driven nucleation of nanocrystals in amorphous alloys has been a subject of intensive debate in the past decade. It has long been postulated that nanocrystals form succeeding the occurrence of shear bands in deformed amorphous alloys. In this study, we show, via <i>in situ</i> nanoindentation of amorphous Cu<sub>44</sub>Zr<sub>44</sub>Al<sub>12</sub> alloy in a transmission electron microscope that the formation of nanocrystals occurred at an ultra-low stress of 0.25 GPa in the elastic deformation regime, accompanied by load-drops without evidence of shear bands. Furthermore, during successive loading, repetitive nanocrystal nucleation events were observed, and the stress required for nucleation kept on increasing to ∼0.54 GPa, implying the occurrence of a ‘hardening’ effect in the amorphous alloy. This study provides direct evidence to advance our understanding on deformation-induced nanocrystallization of amorphous alloys.
DOI: 10.6084/m9.figshare.1023006.v1
title: Syntheses and crystal structures of Eu(III) and Sm(III) perrhenate complexes with 2,2′-(imino)bis(<i>N,N</i>′-diethylacetamide)

description: Europium(III) and Sm(III) perrhenate complexes with 2,2′-(imino)bis(<i>N,N</i>′-diethyl-acetamide) (IDEA) were synthesized. From the single crystal X-ray analyses, the synthesized complexes were found to be [Eu(IDEA)<sub>3</sub>][Eu(NO<sub>3</sub>)<sub>4</sub>(ReO<sub>4</sub>)<sub>2</sub>]<sub>0.38</sub>[Eu(NO<sub>3</sub>)<sub>5</sub>(ReO<sub>4</sub>)]<sub>0.62</sub> (<b>I</b>) and [Sm(IDEA)<sub>3</sub>][Sm(NO<sub>3</sub>)<sub>4</sub> (ReO<sub>4</sub>)<sub>2</sub>]<sub>0.23</sub>[Sm(NO<sub>3</sub>)<sub>5</sub>(ReO<sub>4</sub>)]<sub>0.77</sub> (<b>II</b>). In the cationic parts [M(IDEA)<sub>3</sub>]<sup>3+</sup> (M = Eu and Sm), M(III) is nine-coordinated with three tridentate IDEA ligands. The anionic parts are located crystallographically at the same position in the unit cell. The occupancies of [M(NO<sub>3</sub>)<sub>4</sub>(ReO<sub>4</sub>)<sub>2</sub>]<sup>3−</sup> and [M(NO<sub>3</sub>)<sub>5</sub>(ReO<sub>4</sub>)]<sup>3−</sup> are 38% and 62% for Eu(III), 23% and 77% for Sm(III), respectively. The main crystallographic parameters are as follows: space group <i>P</i>2<sub>1</sub>/c, unit cell parameters <i>a</i> = 12.3811 (4) Å, <i>b</i> = 32.0748 (8) Å, <i>c</i> = 16.7287 (4) Å, β = 112.358 (1)°, <i>Z</i> = 4, <i>V</i> = 6143.9 (3) Å<sup>3</sup> for (<b>I</b>), and space group <i>P</i>2<sub>1</sub>/c, unit cell parameters <i>a</i> = 12.3597 (2) Å, <i>b</i> = 32.1599 (6) Å, <i>c</i> = 16.6762 (4) Å, β = 112.431 (1)°, <i>Z</i> = 4, <i>V</i> = 6127.0 (2) Å<sup>3</sup> for (<b>II</b>). Infrared (IR) absorption spectra of the complexes <b>I</b> and <b>II</b> support the coordination of IDEA and ReO<sub>4</sub><sup>−</sup> to M(III) through each carbonyl oxygen and one oxygen.
DOI: 10.6084/m9.figshare.1022975.v1
title: Repetitive Ultra-low Stress Induced Nanocrystallization in Amorphous Cu‒Zr‒Al Alloy Evidenced by <i>in situ</i> Nanoindentation

description: Stress driven nucleation of nanocrystals in amorphous alloys has been a subject of intensive debate in the past decade. It has long been postulated that nanocrystals form succeeding the occurrence of shear bands in deformed amorphous alloys. In this study, we show, via <i>in situ</i> nanoindentation of amorphous Cu<sub>44</sub>Zr<sub>44</sub>Al<sub>12</sub> alloy in a transmission electron microscope that the formation of nanocrystals occurred at an ultra-low stress of 0.25 GPa in the elastic deformation regime, accompanied by load-drops without evidence of shear bands. Furthermore, during successive loading, repetitive nanocrystal nucleation events were observed, and the stress required for nucleation kept on increasing to ∼0.54 GPa, implying the occurrence of a ‘hardening’ effect in the amorphous alloy. This study provides direct evidence to advance our understanding on deformation-induced nanocrystallization of amorphous alloys.
DOI: 10.6084/m9.figshare.1022976.v1
title: Structure of liquid Al and Al<sub>67</sub>Mg<sub>33</sub> alloy: comparison between experiment and simulation

description: We report data on the structure of liquid Al and an Al<sub>67</sub>Mg<sub>33</sub> alloy obtained from state-of-the-art X-ray diffraction experiments and <i>ab initio</i> molecular dynamics (AIMD) simulations. To facilitate a direct comparison between these data, we develop a method to elongate the AIMD pair correlation function in order to obtain reliable AIMD structure factors. The comparison reveals an appreciable level of discrepancy between experimental and AIMD liquid structures, with the latter being consistently more ordered than the former at the same temperature. The discrepancy noted in this study is estimated to have significant implications for simulation-based calculations of liquid transport properties and solid–liquid interface kinetic properties.
DOI: 10.6084/m9.figshare.1022953
title: Basic principles of renewal of sportsmen with myofascial by a pain syndrome taking into account the psychological aspect of their rehabilitation

description: Purpose: to examine and learn the fundamentals of the recovery of athletes with myofascial pain syndrome, taking into account the psychological aspect of their rehabilitation. Material: the data analyzed and summarized the scientific and methodological literature; sites on the internet. Results: the analysis of specialized literature on development features myofascial pain syndrome in athletes. Myofascial pain syndrome is widespread in sports practice. It is characterized by muscle spasms and trigger points, palpation of which there is a growing pain. The basic principles of the recovery of athletes with myofascial pain syndrome. The questions of the effectiveness of rehabilitation measures, taking into account the influence of psychological factors on the recovery of athletes. Conclusions: the presented strategy is comprehensive physical rehabilitation. Recommended keeping the basic principles of the recovery of athletes and the psychological aspect of their rehabilitation.
DOI: 10.6084/m9.figshare.1022953.v1
title: Basic principles of renewal of sportsmen with myofascial by a pain syndrome taking into account the psychological aspect of their rehabilitation

description: Purpose: to examine and learn the fundamentals of the recovery of athletes with myofascial pain syndrome, taking into account the psychological aspect of their rehabilitation. Material: the data analyzed and summarized the scientific and methodological literature; sites on the internet. Results: the analysis of specialized literature on development features myofascial pain syndrome in athletes. Myofascial pain syndrome is widespread in sports practice. It is characterized by muscle spasms and trigger points, palpation of which there is a growing pain. The basic principles of the recovery of athletes with myofascial pain syndrome. The questions of the effectiveness of rehabilitation measures, taking into account the influence of psychological factors on the recovery of athletes. Conclusions: the presented strategy is comprehensive physical rehabilitation. Recommended keeping the basic principles of the recovery of athletes and the psychological aspect of their rehabilitation.
DOI: 10.6084/m9.figshare.1022919
title: Bronbewerking: DTB (retroacta burgerlijke stand) serie I: 1755-1812

description: DTB Zuid-Holland, gedigitaliseerd. Volledige index (10 inventarisnummers). Nationaal Archief. Inventarisnummers van de plaatsen: Groot Ammers. Alblasserwaard. Haastrecht. Krimpenerwaard. Heinenoord. Hoeksche Waard. Nieuw Beijerland. Hoeksche Waard. Ottoland. Alblasserwaard. Oud Beijerland. Hoeksche Waard. Ridderkerk. IJsselmonde/Zwijndrechtse Waard. Veur. Rijnland. Zwijndrecht. Zwijndrechtse Waard. Country: Netherlands. Nederland. Province: South-Holland. Zuid-Holland.
DOI: 10.6084/m9.figshare.1022902
title: Subscapular_SRMA_Database

description: These files provide detailed information on search and selecion of articles for the sistematic review as well as the database for articles quality assessement and de original database used for the meta analysis
DOI: 10.6084/m9.figshare.1022871
title: Gaussian Job Archive for C3H3I

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1022902.v1
title: Subscapular_SRMA_Database

description: These files provide detailed information on search and selecion of articles for the sistematic review as well as the database for articles quality assessement and de original database used for the meta analysis
DOI: 10.6084/m9.figshare.1022870
title: Gaussian Job Archive for CH3N3

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1022871.v1
title: Gaussian Job Archive for C3H3I

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1022919.v7
title: Bronbewerking: DTB (retroacta burgerlijke stand) serie I: 1755-1812

description: DTB Zuid-Holland, gedigitaliseerd. Volledige index. Nationaal Archief. Groot Ammers. Haastrecht. Heinenoord. Nieuw Beijerland. Ottoland. Oud Beijerland. Ridderkerk. Veur. Zwijndrecht.
DOI: 10.6084/m9.figshare.1022867
title: Gaussian Job Archive for C10H24Cu2I3N3P2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1022863
title: 3D Seismic Velocity Structure in the Rupture Area of the 2010 Maule Mw=8.8 Earthquake

description: The 2010 Mw=8.8 Maule, Chile earthquake is one of the largest subduction zone earthquakes ever recorded. Up to now numerous co-seismic and some post-seismic slip models have been published based entirely on seismological, geodetic, or tsunami run-up heights, or combinations of these data. Most of these models use a simplified megathrust geometry derived mainly from global earthquake catalogues, and also simplified models of seismic parameters (e.g. shear modulus). By using arrival times for a vast number of aftershocks that have been recorded on a temporary seismic array, we present a new model for the slab geometry based on earthquake locations together with a new 3D seismic velocity model of the region, for both vp and vp/vs. We analyzed 3552 aftershocks that occurred between 18 March and 24 May 2011, recorded by the International Maule Aftershock Dataset (IMAD) seismic network. Event selection from a catalogue of automatically-determined events was based on 20 or more arrival times, from which at least 10 are S-wave observations. In total over 170,000 arrival times (~125,000 and 45,000 P and S wave arrival times respectively) are used for the tomographic reconstructions. Initially, events were relocated in a 2D velocity model based on a previously published model for the southern end of the rupture area (Haberland et al., 2009). Afterwards a staggered inversion scheme is implemented, starting with a 2D inversion followed by a coarse 3D and a subsequent fine 3D inversion. Based on our preliminary inversions we conclude that aftershock seismicity is mainly concentrated between 20 and 35 km depth along the subduction interface. A second band of seismicity between 40 and 50 km depth is also observed. Low seismic velocities and an increased vp/vs ratio characterize the marine forearc. The obtained velocity model will be discussed.
DOI: 10.6084/m9.figshare.1022864
title: Gaussian Job Archive for C33H27ClCuIN3P

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1022867.v1
title: Gaussian Job Archive for C10H24Cu2I3N3P2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1022870.v1
title: Gaussian Job Archive for CH3N3

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1022864.v1
title: Gaussian Job Archive for C33H27ClCuIN3P

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1022845
title: Languages for all languages for life

description: This research article traces the genesis of the 'Languages for All Languages for life' project of the UK Government. It discusses the rationale for the determined pursuit of the project and examines its wider implications on the development of the entire education system. The main purpose is to instigate an informed and continued dialogue between policy makers, educational practitioners, government and non-government reviewers and stakeholders so as to ensure its translation into policy and secure its immunity from future assaults arising from divergence of political ideologies, inclinations or affiliations.
DOI: 10.6084/m9.figshare.1022863.v1
title: 3D Seismic Velocity Structure in the Rupture Area of the 2010 Maule Mw=8.8 Earthquake

description: The 2010 Mw=8.8 Maule, Chile earthquake is one of the largest subduction zone earthquakes ever recorded. Up to now numerous co-seismic and some post-seismic slip models have been published based entirely on seismological, geodetic, or tsunami run-up heights, or combinations of these data. Most of these models use a simplified megathrust geometry derived mainly from global earthquake catalogues, and also simplified models of seismic parameters (e.g. shear modulus). By using arrival times for a vast number of aftershocks that have been recorded on a temporary seismic array, we present a new model for the slab geometry based on earthquake locations together with a new 3D seismic velocity model of the region, for both vp and vp/vs. We analyzed 3552 aftershocks that occurred between 18 March and 24 May 2011, recorded by the International Maule Aftershock Dataset (IMAD) seismic network. Event selection from a catalogue of automatically-determined events was based on 20 or more arrival times, from which at least 10 are S-wave observations. In total over 170,000 arrival times (~125,000 and 45,000 P and S wave arrival times respectively) are used for the tomographic reconstructions. Initially, events were relocated in a 2D velocity model based on a previously published model for the southern end of the rupture area (Haberland et al., 2009). Afterwards a staggered inversion scheme is implemented, starting with a 2D inversion followed by a coarse 3D and a subsequent fine 3D inversion. Based on our preliminary inversions we conclude that aftershock seismicity is mainly concentrated between 20 and 35 km depth along the subduction interface. A second band of seismicity between 40 and 50 km depth is also observed. Low seismic velocities and an increased vp/vs ratio characterize the marine forearc. The obtained velocity model will be discussed.
DOI: 10.6084/m9.figshare.1022919.v8
title: Bronbewerking: DTB (retroacta burgerlijke stand) serie I: 1755-1812

description: DTB Zuid-Holland, gedigitaliseerd. Volledige index. Nationaal Archief. Groot Ammers. Haastrecht. Heinenoord. Nieuw Beijerland. Ottoland. Oud Beijerland. Ridderkerk. Veur. Zwijndrecht. Country: Netherlands. Nederland. Province: South-Holland. Zuid-Holland.
DOI: 10.6084/m9.figshare.1022919.v9
title: Bronbewerking: DTB (retroacta burgerlijke stand) serie I: 1755-1812

description: DTB Zuid-Holland, gedigitaliseerd. Volledige index. Nationaal Archief. Groot Ammers. Haastrecht. Heinenoord. Nieuw Beijerland. Ottoland. Oud Beijerland. Ridderkerk. Veur. Zwijndrecht. Country: Netherlands. Nederland. Province: South-Holland. Zuid-Holland.
DOI: 10.6084/m9.figshare.1022919.v11
title: Bronbewerking: DTB (retroacta burgerlijke stand) serie I: 1755-1812

description: DTB Zuid-Holland, gedigitaliseerd. Volledige index (10 inventarisnummers). Nationaal Archief. Inventarisnummers van de plaatsen: Groot Ammers. Alblasserwaard. Haastrecht. Krimpenerwaard. Heinenoord. Hoeksche Waard. Nieuw Beijerland. Hoeksche Waard. Ottoland. Alblasserwaard. Oud Beijerland. Hoeksche Waard. Ridderkerk. IJsselmonde/Zwijndrechtse Waard. Veur. Rijnland. Zwijndrecht. Zwijndrechtse Waard. Country: Netherlands. Nederland. Province: South-Holland. Zuid-Holland.
DOI: 10.6084/m9.figshare.1022919.v10
title: Bronbewerking: DTB (retroacta burgerlijke stand) serie I: 1755-1812

description: DTB Zuid-Holland, gedigitaliseerd. Volledige index (10 inventarisnummers). Nationaal Archief. Inventarisnummers van de plaatsen: Groot Ammers. Alblasserwaard. Haastrecht. Krimpenerwaard. Heinenoord. Hoeksche Waard. Nieuw Beijerland. Hoeksche Waard. Ottoland. Alblasserwaard. Oud Beijerland. Hoeksche Waard. Ridderkerk. IJsselmonde/Zwijndrechtse Waard. Veur. Rijnland. Zwijndrecht. Zwijndrechtse Waard. Country: Netherlands. Nederland. Province: South-Holland. Zuid-Holland.
DOI: 10.6084/m9.figshare.1022807
title: GC content and genome size - Completed Bacteria and Euryarchaeota Genomes

description: The complete fileset for analysis of GC content and genome size in completed Bacteria and Euryarchaeota genomes from the NCBI database.
DOI: 10.6084/m9.figshare.1022774
title: Urban Specific Fire Hazards

description: Urban Fire Hazards
DOI: 10.6084/m9.figshare.1022807.v1
title: GC content and genome size - Completed Bacteria and Euryarchaeota Genomes

description: The complete fileset for analysis of GC content and genome size in completed Bacteria and Euryarchaeota genomes from the NCBI database.
DOI: 10.6084/m9.figshare.1022774.v1
title: Urban Specific Fire Hazards

description: Urban Fire Hazards
DOI: 10.6084/m9.figshare.1022770
title: Urban Specific Fire Hazards

description: Exposed fire hazards spefic for urban setting
DOI: 10.6084/m9.figshare.1022771
title: Urban Specific Fire hazards

description: Hazards in urban Centers
DOI: 10.6084/m9.figshare.1022802.v1
title: Bayesian First Aid Pearson's Correlation Coefficient Test on Completed Bacterial and Euryarchaeota Genomes, April 2014 data set

description: April 2014, NCBI Bacterial and Euryarchaeota completed genomes correlation. Current data set shows a correleation of 0.62 between GC content and genome size. The correlation is more than 0 by a probability of 1. Tthe 95% CI is between 0.59 and 0.64. This a continuation of documenting GC content and genome size. The R script that generated this analysis is available here: https://github.com/bioinfonm/2ndmeta/blob/master/R%20Scripts/gc%20content%20genome%20size/gc%20content%20genome%20size%20bacteria.R The raw data is available from NCBI here: ftp://ftp.ncbi.nlm.nih.gov/genomes/GENOME_REPORTS/prokaryotes.txt
DOI: 10.6084/m9.figshare.1022807.v2
title: GC content and genome size - Completed Bacteria and Euryarchaeota Genomes

description: The complete fileset for analysis of GC content and genome size in completed Bacteria and Euryarchaeota genomes from the NCBI database.
DOI: 10.6084/m9.figshare.1022770.v2
title: Urban Specific Fire Hazards

description: Exposed fire hazards spefic for urban setting
DOI: 10.6084/m9.figshare.1022771.v1
title: Urban Specific Fire hazards

description: Hazards in urban Centers
DOI: 10.6084/m9.figshare.1022807.v3
title: GC content and genome size - Completed Bacteria and Euryarchaeota Genomes

description: The complete fileset for analysis of GC content and genome size in completed Bacteria and Euryarchaeota genomes from the NCBI database.
DOI: 10.6084/m9.figshare.1022770.v1
title: Mr

description: Exposed fire hazards spefic for urban setting
DOI: 10.6084/m9.figshare.1022807.v4
title: GC content and genome size - Completed Bacteria and Euryarchaeota Genomes

description: The complete fileset for analysis of GC content and genome size in completed Bacteria and Euryarchaeota genomes from the NCBI database.
DOI: 10.6084/m9.figshare.1022807.v5
title: GC content and genome size - Completed Bacteria and Euryarchaeota Genomes

description: The complete fileset for analysis of GC content and genome size in completed Bacteria and Euryarchaeota genomes from the NCBI database.
DOI: 10.6084/m9.figshare.1022807.v7
title: GC content and genome size - Completed Bacteria and Euryarchaeota Genomes

description: The complete fileset for analysis of GC content and genome size in completed Bacteria and Euryarchaeota genomes from the NCBI database.
DOI: 10.6084/m9.figshare.1022807.v6
title: GC content and genome size - Completed Bacteria and Euryarchaeota Genomes

description: The complete fileset for analysis of GC content and genome size in completed Bacteria and Euryarchaeota genomes from the NCBI database.