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107 results for “amorphous”
A multi-method study of femtosecond laser modification and ablation of amorphous hydrogenated carbon coatings
<p>We report here the optical constants of ECR (MW) and RF generated a-C:H layers before and after laser irradiation. The work is described in the following publication:</p> <p><a title="A multi-method study of femtosecond laser modification and ablation of amorphous hydrogenated carbon coatings" href="https://doi.org/10.1007/s00339-024-07980-z" target="_blank" rel="noopener">https://doi.org/10.1007/s00339-024-07980-z</a></p> <p>The data uploaded are the optical constants (n and k) of the a-C:H layers before (base) and after (ROIx) laser irradiation. Please see the article for the nomenclature of the data and for the methods applied ot produce the layers, laser shots, and OK data.</p>
Diffusion coefficients on amorphous polystyrene and modelling of migration levels from plastic packaging
<p>This dataset is actually supplementary data of the scientific article:</p> <p>Martinez-Lopez, Brais; Gontard, Natalie and Peyron, Stephane "Worst case prediction of additives migration from polystyrene for food safety purposes: a model update" in Food Additives and Contaminants Part A, doi:10.1080/19440049.2017.1402129.</p> <p>If you use it, please cite it using the reference file we have provided.</p> <p>This description is the same as in the file "readme.txt", included in the upload.</p> <p>List of files:</p> <ul> <li>The file database_D contains the experimental diffusivity data for amorphous polystyrene used for the figure 1b. It is a spreadsheet file with two tabs. In the first tab, the diffusion coefficients can be found by choosing molecule family (and the publication were they were found) and temperature in celsius degrees. The second tab contains the same diffusivity data, but they are ranged by increasing molecular weight and temperature. This file is available in open document (.ods) and microsoft excel (.xlsx) formats.</li> <li>The file migration modelling is also a spreadsheet file, and contains several tabs. The first tab (diffusion coefficient) is an implementation of equation 1, the predictive model for overestimated diffusion coefficients. The given Ap and tau parameter sets are the ones specified in Table 2 for amorphous polystyrene. The second tab (migration levels) is an implementation of equation 3, the solution to Fick's second law that is used to predict migration levels in food, for pre-selected values of alpha (equation 5). The tabs labeled alpha =... contain the sums used in the equation, whereas the tab "roots" contains the first 200 roots of trascendental equation 4, needed to calculate the sum or terms. This file is also available in open document (.ods) and microsoft excel (.xlsx) formats.</li> <li>The file "table.pdf" sums the main characteristics of the molecule families, together with the references where they were found (in the second page).</li> <li>The file reference.bib contains the reference that should be cited if you use this dataset for your own work.</li> <li>Finally, the file readme.txt contains this very same description.</li> </ul> <p>These files have undergone thorough check, so there should not be any mistakes. In the rare event that you find one, please report it to the author so it can get fixed.</p> <p>bramar@food.dtu.dk</p> <p>Brais Martínez López, PhD<br> Assistant professor<br> DTU Fødevareinstituttet<br> Danmarks Tekniske Universitet<br> Søltofts Plads<br> Bygning 227<br> 2800 Kgs. Lyngby</p> <p> </p> <p> </p> <p> </p>
Data set for "Quantification of amorphous siliceous fly ash in hydrating blended cement pastes by X-ray powder diffraction"
<p>The main data is XRD patterns originally collected as xrdml and converted into rd format.</p> <p>The data set for the manuscript:</p> <p>Quantification of amorphous siliceous fly ash in hydrating blended cement pastes by X-ray powder diffraction</p> <p>Xuerun Li<sup>a</sup>, Ruben Snellings<sup>b</sup> and Karen L. Scrivener<sup>a</sup></p> <p><sup>a</sup>Laboratory of Construction Materials, Swiss Federal Institute of Technology in Lausanne (EPFL), Station 12, CH-1015 Lausanne, Switzerland</p> <p><sup>b</sup>Sustainable Materials Management, Flemish Institute of Technological Research (VITO), Boeretang 200, 2400 Mol, Belgium<br> </p>
Simulated water models with Apoferritin for use in cryo-EM image simulations with amorphous ice
<p>This dataset contains the atomic coordinates of several water models produced using the NAMD molecular dynamics software. The contents of each file is listed below.</p> <ul> <li><strong><em>water_81_coords.pdb</em></strong> - water only in a cubic box with side length 81A</li> <li><strong><em>water_243_coords.pdb</em></strong> - water only in a cubic box with side length 243A</li> <li><strong><em>water_486_coords.pdb</em></strong> - water only in a cubic box with side length 486A</li> <li><strong>water_567_coords.pdb</strong> - water only in a cubic box with side length 567A</li> <li><strong><em>water_645_coords.pdb</em></strong> - water only in a cubic box with side length 645A</li> <li><strong><em>water_735_coords.pdb</em></strong> - water only in a cubic box with side length 735A</li> <li><strong><em>apo_water_723_coords.pdb</em></strong> - water and apoferritin in a cubic box with side length 723A where apoferritin atoms are constrained</li> </ul>
Tilted fluctuation electron microscopy data from simulated and deposited amorphous Ta
<p>These datasets were used to compare fluctuation electron microscopy analysis methods on simulated and sputter deposited amorphous tantalum. The Ta is 8 nm thick in both the simulated and deposited samples. The deposited Ta is sandwiched between two layers of amorphous 10 nm-thick SiN<sub>x</sub>. Data are also provided for SiN<sub>x</sub> deposited on SiN<sub>x</sub>.</p> <p>Deposited Ta FEM patterns were collected on a TitanX at 200 kV with a convergence angle of 0.51 mrad and a camera length of 300 mm. Simulated Ta FEM patterns were generated using the Prismatic STEM simulation software (see references).</p> <p>The samples were tilted between 0<sup>o</sup> and 45<sup>o</sup> in 15<sup>o</sup> increments. </p> <p><strong>Deposited Ta: </strong></p> <p>.dm4 (Gatan DigitalMicrograph) files are provided with the raw scanning nanodiffraction data for each tilt angle</p> <p>.png images of the mean CBED pattern for each tilt angle are provided</p> <p><strong>Simulated Ta:</strong></p> <p>.h5, .xyz (atomic coordinates), and .txt (Prismatic input parameters defined) files are provided with the raw scanning nanodiffraction data for each tilt angle</p> <p>.png images of the mean CBED pattern for each tilt angle are provided</p> <p> </p> <p>The atomic coordinates for the simulated Ta were provided by Jun Ding. Simulated FEM patterns were produced by Luis Rangel DaCosta using Prismatic STEM simulation software. Neal Reynolds grew the experimental Ta and SiN<sub>x</sub> thin films.</p>
Research data supporting for Stress-induced amorphization triggers deformation in the lithospheric mantle
<p>Original TEM micrographs used to prepare the figures of the article</p>
Amorphous carbon films generated through simulated deposition with GAP from 1eV to 100eV
<p>These amorphous carbon films were generated following the deposition protocol and methodology outlined by Caro et al., Phys. Rev. Lett. <strong>120</strong>, 166101 (2018) and, in more detail, in Caro et al. Phys. Rev. B <strong>102</strong>, 174201 (2020). Briefly, the structures were generated by depositing monoenergetic C atoms on a preexisting diamond (111) substrate. The interatomic potential used was the a-C GAP of Deringer and Csányi [Phys. Rev. B <strong>95</strong>, 094203 (2017)] and the molecular dynamics simulations (MD) were carried out with QUIP's GAP implementation [http://libatoms.github.io/] using LAMMPS [https://lammps.sandia.gov/] as MD engine.</p> <p>The final structures of the deposition simulations at 1, 2, 3, 4, 5, 6.5, 8, 10, 20, 60 and 100eV are provided in extended XYZ format, with obvious naming convention.</p>
The gamaproteobacterium Achromatium forms intracellular amorphous calcium carbonate and not (crystalline) calcite- dataset
<p>This is the dataset accompanying the paper published in geobiology and titled <em>The gamaproteobacterium Achromatium forms intracellular amorphous calcium carbonate and not (crystalline) calcite</em></p> <p>It comprises SEM and light microscopy images, Raman spectra (txt files) and one excel files containing the results of Raman spectra fits.</p>
data for article "Enhancement of Superconductivity by Amorphizing Molybdenum Silicide Films Using a Focused Ion Beam"
<p>This dataset is the compilation of data used in the article "Enhancement of Superconductivity by Amorphizing Molybdenum Silicide Films Using a Focused Ion Beam" (<a href="https://doi.org/10.3390/nano10050950">https://doi.org/10.3390/nano10050950</a>). For more info of samples see metadata2.txt</p>
Research data for "Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure"
<p>This dataset supports the paper: "Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure". The paper is online here: https://doi.org/10.1002/adma.202107515. </p> <p>The following .xyz and .zip files are provided:</p> <ul> <li>"LDA_structure_final.xyz": the atomic structure of the LDA model generated in this work.</li> <li>"slow_melt_quench.zip": the trajectory of the slow melt-quench process in (extended) XYZ format. </li> <li>"compress_decompress.zip": the trajectory of the ambient-pressure compression and the subsequent decompression processes in (extended) XYZ format. </li> <li>"Structure_factor.zip": atomic structures in (extended) XYZ format at different pressures (used to calculate the structure factors). </li> </ul> <p> </p>
Raw Data of "Selective laser melting of a Fe-Si-Cr-B-C-based complex-shaped amorphous soft-magnetic electric motor rotor with record dimensions"
<p>This data set includes the RAW DATA of the publication. ABSTRACT: A record large amorphous rotor bearing an intricate 3D-geometry is produced through additive manufacturing via selecting laser melting using a powder of a traditional bulk metallic glass-forming composition of the Fe-Si-Cr-B-C system. Not only does this technique overcome the technical limitations characteristic of casting processes for amorphous alloys, but the possibility to print complex 3D geometries is expected to greatly facilitate the channeling of the magnetic flux, when such component is used as a rotor in an electric machine. The as-built part is characterized in comparison to the powder material as well as as-spun ribbons using a wide range of complementary techniques, including synchrotron x-ray diffraction, calorimetry, electron microscopy as well as room temperature ferromagnetic and hardness testing. The built part has extraordinarily high values of hardness (877 HV) and remarkable high magnetic susceptibility (9.17). This latter feature leads to a better magnetic response in the presence of an external magnetic field evidenced by a faster approach to saturation. The coercivity is small (0.51 kA/M) and the magnetic saturation relatively high (1.29 T). In addition, a large anisotropic effect on the magnetization reaction in connection with the partial crystallization in the melt pool areas is investigated experimentally.</p>
Processed Data of "Selective laser melting of a Fe-Si-Cr-B-C-based complex-shaped amorphous soft-magnetic electric motor rotor with record dimensions"
<p>This data set includes the processed data of the pubblication. ABSTRACT: A record large amorphous rotor bearing an intricate 3D-geometry is produced through additive manufacturing via selecting laser melting using a powder of a traditional bulk metallic glass-forming composition of the Fe-Si-Cr-B-C system. Not only does this technique overcome the technical limitations characteristic of casting processes for amorphous alloys, but the possibility to print complex 3D geometries is expected to greatly facilitate the channeling of the magnetic flux, when such component is used as a rotor in an electric machine. The as-built part is characterized in comparison to the powder material as well as as-spun ribbons using a wide range of complementary techniques, including synchrotron x-ray diffraction, calorimetry, electron microscopy as well as room temperature ferromagnetic and hardness testing. The built part has extraordinarily high values of hardness (877 HV) and remarkable high magnetic susceptibility (9.17). This latter feature leads to a better magnetic response in the presence of an external magnetic field evidenced by a faster approach to saturation. The coercivity is small (0.51 kA/M) and the magnetic saturation relatively high (1.29 T). In addition, a large anisotropic effect on the magnetization reaction in connection with the partial crystallization in the melt pool areas is investigated experimentally.</p>
Research data for "Exploring the configurational space of amorphous graphene with machine-learned atomic energies"
<p>This dataset supports the paper: "Exploring the configurational space of amorphous graphene with machine-learned atomic energies" (<a href="https://doi.org/10.1039/D2SC04326B">https://doi.org/10.1039/D2SC04326B</a>).</p> <p>Trajectory data for the 200-atom structures (Fig. 3) and the final configurations for the 612-atom structures as well as the GAP-17-optimised 610-atom structure from Toh et al are provided (Fig. 4). Additionally, the structures used for data analysis in Fig. 5 are given.</p> <p>The files are in extended xyz (.xyz) format and contain the raw data for coordinates, forces, and atomic energies (labelled 'c_1'). The files also contain the atomic energies relative to pristine graphene, labelled "Energy_per_atom", and the locally averaged energy relative to pristine graphene, labelled "NN_Energy_per_atom". Topological information is included at the end of the .xyz file for the 612-atom structures ('fig_4'/) and for the structures in 'fig_5/'.</p> <p>All raw atomic energies were computed using LAMMPS default settings and were output with six significant figures, with the exception of the Toh et al. structure (for which ASE was used, outputting a higher number of significant figures). </p> <p>The data can be read using, for example, the Atomic Simulation Environment (ASE), or visualised using Ovito.</p> <p> </p>
Infrared Spectra and Optical Constants of Amorphous Isocyanic Acid, Formaldehyde, and Formic Acid
<p>Infrared spectra and optical constants from Hudson et al., 2024, ApJ 977 (1), 130. DOI: 10.3847/1538-4357/ad8c43</p>
Amorphous Niobium Oxide Structures Calculated from First Principles using Density Functional Theory and Molecular Dynamics
<p>The dataset contains fifteen different amorphous niobium oxide structures. Nine of the structures have the same stoichiometry as Nb2O5. The other six are defect structures containing 1 or 2 oxygen vacancies, or 1 or 2 interstitial oxygens, or 1 Nb vacancy. Each of the structure files is in the VASP POSCAR file format. Each structure was created using ab-initio molecular dynamics at 5000~K to liquidate the structure, then snapshots of the structure were taken every 2 ps, and geometry optimizations were performed on each individual snapshot. The naming convention is relatively simple: 'conf_x_POSCAR' is a stoichiometric POSCAR, and 'conf_x_oadd1_POSCAR' is a defect structure originating from structure 'x' with a single oxygen interstitial. The defect labels correspond to 1 oxygen interstitial (oadd1), 2 oxygen interstitials (oadd2), 1 oxygen vacancy (ovac1), 2 separated oxygen vacancies (ovac2), 2 nearest neighbor oxygen vacancies (ovac2nn), and 1 Nb vacancy (nbvac).</p>
Text-fig. 43. Synchrotron radiation X-ray tomographic microscopy SRXTM images of "Tricarpellate flower sp. 2"; Catefica locality, Portugal. a) Lateral view of floral structure (volume rendering) showing the apical projection of the carpels and the semiinferior organization; b) Apical view of floral structure (volume rendering) showing the triangular shape of the hypanthial rim, the tricarpellate ovary with a single apical style; note that one locule is fully developed while the other two are collapsed; note also slits of unknown nature in the corners of the triangular hypanthial rim (arrows); c) Transverse section (orthoslice xy0712) close to the floral apex showing the locule of the one fully developed carpel with ovules borne along ventral placentae; note amorphous substance (asterisk) associated with the developing ovules that fills part of the locule space; d) Longitudinal section (orthoslice xz0858) through the locule of the one fully developed carpel showing the semi-inferior organization and ovules arranged along the full length of the carpel; note amorphous substance (asterisk) associated with the developing ovules that fills part of the locule space; e) Tangential longitudinal section (orthoslice yz1019) through the one fully developed locule, showing the densely packed ovules and the amorphous substance (asterisk) with which they are associated. Specimen, Catefica 50-S174901 (a–e). Scale bars = 300 Μm (a–e). in The Early Cretaceous Mesofossil Flora Of Catefica, Portugal: Angiosperms
Text-fig. 43. Synchrotron radiation X-ray tomographic microscopy SRXTM images of "Tricarpellate flower sp. 2"; Catefica locality, Portugal. a) Lateral view of floral structure (volume rendering) showing the apical projection of the carpels and the semiinferior organization; b) Apical view of floral structure (volume rendering) showing the triangular shape of the hypanthial rim, the tricarpellate ovary with a single apical style; note that one locule is fully developed while the other two are collapsed; note also slits of unknown nature in the corners of the triangular hypanthial rim (arrows); c) Transverse section (orthoslice xy0712) close to the floral apex showing the locule of the one fully developed carpel with ovules borne along ventral placentae; note amorphous substance (asterisk) associated with the developing ovules that fills part of the locule space; d) Longitudinal section (orthoslice xz0858) through the locule of the one fully developed carpel showing the semi-inferior organization and ovules arranged along the full length of the carpel; note amorphous substance (asterisk) associated with the developing ovules that fills part of the locule space; e) Tangential longitudinal section (orthoslice yz1019) through the one fully developed locule, showing the densely packed ovules and the amorphous substance (asterisk) with which they are associated. Specimen, Catefica 50-S174901 (a–e). Scale bars = 300 Μm (a–e).
Resistive switching and role of interfaces in memristive devices based on amorphous NbOx grown by anodic oxidation - Dataset
<p>This is the dataset of "Resistive switching and role of interfaces in memristive devices based on amorphous NbOx grown by anodic oxidation"</p>
Photonic amorphous I-WP networks create angle-independent colors in Sternotomis virescens longhorn beetles
<p>Datasets supporting the manuscript "Photonic amorphous I-WP-like networks create angle-independent colors in <em>Sternotomis virescens</em> longhorn beetles" (DOI: 10.1002/adfm.202302720).</p> <p>Datasets are named according to the corresponding figures and contain raw data, with data related to each panel located in sub-folders named according to the panel. Further information about the data is found in README files for the entire dataset and each folder.</p>
A Spectroscopic Study of Mars-Analog Materials with Amorphous Sulfate and Chloride Phases: Implications for Detecting Amorphous Materials on the Martian Surface
<p>This repository contains the raw and baseline or continuum corrected data associated with the manuscript entitled:</p> <p> A Spectroscopic Study of Mars-Analog Materials with Amorphous Sulfate and Chloride Phases: Implications for Detecting Amorphous Materials on the Martian Surface</p> <p>This work is being submitted to The Planetary Science Journal</p> <p>ABSTRACT</p> <p>The Chemistry and Mineralogy X-ray diffraction (XRD) instrument aboard the Curiosity rover has consistently identified substantial amorphous material at Gale Crater. The amorphous component is compositionally variable, but often includes elevated sulfur and iron, suggesting that amorphous ferric sulfate (AFS) may be present. Understanding the spectral changes of common Martian materials exposed to ferric sulfate brines as they desiccate to AFS is a key step in bridging the gap between simple mixing studies and analyses of complex/realistic reaction assemblages. Visible and near-infrared reflectance (VNIR), mid-infrared attenuated total reflectance (MIR, FTIR-ATR), and Raman spectra, along with XRD data are presented for basaltic glass, hematite, gypsum, nontronite, and magnesite, each at three grain sizes (<25, 25-63, and 63-180 μm), mixed with ferric sulfate alone or also with NaCl, hydrated through deliquescence, and then rapidly desiccated in 11% relative humidity or via vacuum. All desiccated products are partially or completely XRD amorphous; crystalline phases include starting materials and trace precipitates, leaving the bulk of the ferric sulfate in the amorphous fraction. Due to considerable spectral masking, the detectability of AFS is highly dependent on spectroscopic technique and the observed mineral assemblage. This has strong implications for remote and in-situ observations of Martian samples which include an amorphous component. AFS is only identifiable in VNIR spectra for magnesite, nontronite, and gypsum samples; hematite and basaltic glass samples appear similar to pure materials. Sulfate features dominate Raman spectra for nontronite and basaltic glass samples; the analog material dominates Raman spectra of hematite and gypsum samples. MIR spectra reveal all end members most clearly except for basaltic glass samples, where the analog material is almost completely masked. NaCl leads to similar FTIR-ATR and Raman features, regardless of analog material.</p> <p>Associated photographs of samples in this project can be found at:</p> <p>https://www.lionsandlamms.com/</p> <p>This research was supported by NSF award #1819209.</p>
Interaction of biomolecules with anatase, rutile and amorphous TiO2 surfaces: A molecular dynamics study / supplement
<ul> <li>S1 File - Short videos representing the interaction of the 6 different biomolecules (KGD, KRSR, LGD, LRSR, RGD and RSR) with the 3 different TiO<sub>2</sub> surface (anatase, amorphous and rutile).</li> <li>S2 File - A representative trajectory file of the LRSR peptide and amorphous TiO<sub>2</sub> surface MD simulation without the ions and water molecules.</li> <li>S3 File - Force-distance curve data for the binding energy calculations.</li> </ul>
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Allen Brain Atlas
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International Brain Laboratory public data
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OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.