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22 results for “amorphous carbon”
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>
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>
Thermal spike during simulated deposition of tetrahedral amorphous carbon films
<p>These videos show the thermal spike arising from a 100 eV C atom impinging on a growing tetrahedral amorphous carbon film, as simulated with a GAP potential [1,2,3] following the deposition protocol and methodology outlined by Caro <em>et al</em>. [4,5]. The molecular dynamics simulations (MD) were carried out with QUIP's GAP implementation [6] using LAMMPS [7,8] as MD engine. The atomic visualization was carried out with VMD [9,10]. The final videos were composed using, in addition, the following software: gnuplot [11], Inkscape [12] and FFmpeg [13].</p> <p><strong>References</strong></p> <ol> <li>A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. <strong>104</strong>, 136403 (2010).</li> <li>A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B <strong>87</strong>, 184115 (2013).</li> <li>V.L. Deringer and G. Csányi. Phys. Rev. B <strong>95</strong>, 094203 (2017).</li> <li>M.A. Caro, V.L. Deringer, J. Koskinen, T. Laurila, and G Csányi. Phys. Rev. Lett. <strong>120</strong>, 166101 (2018).</li> <li>M.A. Caro, G Csányi, T. Laurila, and V.L. Deringer. Phys. Rev. B <strong>102</strong>, 174201 (2020).</li> <li>http://libatoms.github.io</li> <li>https://lammps.sandia.gov</li> <li>S. Plimpton. J. Comp. Phys., <strong>117</strong>, 1 (1995).</li> <li>https://www.ks.uiuc.edu/Research/vmd</li> <li>W. Humphrey, A. Dalke, and K. Schulten. J. Molec. Graphics <strong>14</strong>, 33 (1996).</li> <li>http://www.gnuplot.info</li> <li>https://inkscape.org</li> <li>https://ffmpeg.org</li> </ol>
Data from: Production of low-carbon amorphous precipitated silica and hydrated magnesium carbonate from olivine
<p>A novel process is reported that produces amorphous silica and nesquehonite (MgCO<sub>3</sub>.3H<sub>2</sub>O) from the magnesium silicate mineral olivine ((Mg,Fe)<sub>2</sub>.SiO<sub>4</sub>). The amorphous silica formed is a supplementary cementitious material (SCM) for use in concrete. The formation of nesquehonite sequesters carbon and means that the overall process is carbon negative. Nesquehonite can also be used to form low-carbon construction products such as bricks, blocks, and boards. This paper reports on key process optimisation studies. The potential for amorphous precipitated silica derived from olivine to produce carbon-negative concrete is discussed.</p>
GAP interatomic potential for amorphous carbon
<p><strong>Gaussian approximation potential</strong> (GAP) for <strong>amorphous carbon</strong> [1]. It has been fitted with <strong>QUIP/GAP</strong> [1,2] by recomputing the <strong>a-C database of Deringer and Csányi</strong> [3] at the <strong>PBE+MBD</strong> level of theory [4,5] using the VASP code [6,7,8]. This potential uses <strong>2-body</strong> (distance_2b) and <strong>3-body</strong> (angle_3b) descriptors [3] plus <strong>SOAP-type descriptors</strong> (soap_turbo) [9,10], as implemented in the <strong>TurboGAP</strong> code [11]. The files can be used both with QUIP/GAP (compiled with the TurboGAP libraries) and TurboGAP. More details will follow in a scientific publication in due course (bibligraphical data will be added as it becomes available).</p> <p>Changes introduced in version 2 of this potential:</p> <ul> <li>More dimer configurations</li> <li>More graphite configurations</li> <li>A tabulated "core potential" to account for short-range repulsion and long-range dispersion interactions explicitly</li> </ul> <p><strong>References</strong></p> <ol> <li>A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. 104, 136403 (2010).</li> <li>LibAtoms: <a href="http://libatoms.github.io">https://libatoms.github.io</a></li> <li>V.L. Deringer and G. Csányi. Phys. Rev. B 95, 094203 (2017).</li> <li>J.P. Perdew, K. Burke, and M. Ernzerhof. Phys Rev. Lett. 77, 3865 (1996).</li> <li>A. Tkatchenko, R.A. Di Stasio, R. Car, and M. Scheffler, Phys. Rev. Lett. 108, 236402 (2012).</li> <li>VASP: <a href="http://vasp.at">http://vasp.at</a></li> <li>G. Kresse and J. Furthmüller. Phys. Rev. B 54, 11169 (1996).</li> <li>T. Bucko, S. Lebègue, T. Gould, and J.G. Ángyán, J. Phys.: Condens. Matter 28, 045201 (2016).</li> <li>A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B 87, 184115 (2013).</li> <li>M.A. Caro. Phys. Rev. B 100, 024112 (2019).</li> <li>TurboGAP: <a href="http://turbogap.fi">http://turbogap.fi</a></li> </ol>
amorphous carbon ab-initio calculation dataset
<p><strong>Description</strong></p> <p>This dataset was used in our manuscript titled “Persistent homology-based descriptor for machine-learning potential of amorphous structures” (arXiv:2206.13727 [cs.LG] <a href="https://arxiv.org/abs/2206.13727">https://arxiv.org/abs/2206.13727</a>).</p> <p><strong>Methods to generate the dataset</strong></p> <p>The amorphous carbon dataset was generated using ab initio calculations with VASP software. We utilized the LDA exchange-correlation functional and the PAW potential for carbon. Melt-quench simulations were performed to create amorphous and liquid-state structures. A simple cubic lattice of 216 carbon atoms was chosen as the initial state. Simulations were conducted at densities of 1.5, 1.7, 2.0, 2.2, 2.4, 2.6, 2.8, 3.0, 3.2, 3.4, and 3.5 g/cm<sup>3</sup> to produce a variety of structures. The NVT ensemble was employed for all melt-quench simulations, and the density was adjusted by modifying the size of the simulation cell. A time step of 1 fs was used for the simulations. For all densities, only the Γ points were sampled in the k-space. To increase structural diversity, six independent simulations were performed.</p> <p>In the melt-quench simulations, the temperature was raised from 300 K to 9000 K over 2 ps to melt carbon. Equilibrium molecular dynamics (MD) was conducted at 9000 K for 3 ps to create a liquid state, followed by a decrease in temperature to 5000 K over 2 ps, with the system equilibrating at that temperature for 2 ps. Finally, the temperature was lowered from 5000 K to 300 K over 2 ps to generate an amorphous structure.</p> <p>During the melt-quench simulation, 30 snapshots were taken from the equilibrium MD trajectory at 9000 K, 100 from the cooling process between 9000 and 5000 K, 25 from the equilibrium MD trajectory at 5000 K, and 100 from the cooling process between 5000 and 300 K. This yielded a total of 16,830 data points.</p> <p>Data for diamond structures containing 216 atoms at densities of 2.4, 2.6, 2.8, 3.0, 3.2, 3.4, and 3.5 g/cm3 were also prepared. Further data on the diamond structure were obtained from 80 snapshots taken from the 2 ps equilibrium MD trajectory at 300 K, resulting in 560 data points.</p> <p>To validate predictions for larger structures, we generated data for 512-atom systems using the same procedure as for the 216-atom systems. A single simulation was conducted for each density. The number of data points was 2,805 for amorphous and liquid states.</p> <p><strong>Contents of each folder </strong></p> <p>・216atom_amorphous: Contains six xyz files generated from the trajectory of the melt-quench simulation.</p> <p>・216atom_crystal: Contains a single xyz file with data of diamond structures containing 216 atoms at densities of 2.4, 2.6, 2.8, 3.0, 3.2, 3.4, and 3.5 g/cm3.</p> <p>・512atom_amorphous: Contains a single xyz file with data of 512-atom systems.</p> <p>・dataset_train_test_split: The training and test data used in the manuscript, constructed from splitting the entire 216atom_amorphous dataset.</p>
Data from: Production of low-carbon amorphous precipitated silica and hydrated magnesium carbonate from olivine
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Deposition of amorphous carbon at different energies modeled with GAP
<p>These videos show the simulated deposition, one atom at a time, of amorphous carbon (a-C) films. The system is equilibrated to 300 K after each impact and before the next deposition event. Different deposition energies are simulated, from 1 eV to 100 eV. The atoms are deposited onto a preexisting diamond substrate, shown in the 60 eV video; after 2500 depositions at 60 eV, the generated a-C film is used as template to deposit all the other films. The interatomic interactions are modeled with the a-C GAP of Deringer and Csányi [Phys. Rev. B <strong>95</strong>, 094203 (2017)] interfaced through LAMMPS [http://lammps.sandia.gov]. The visualization is carried out with VMD [http://www.ks.uiuc.edu/Research/vmd] using Axel Kohlmeyer's TopoTools [DOI: 10.5281/zenodo.545655]. For further information, refer to Phys. Rev. Lett. <strong>120</strong>, 166101 (2018) and Phys. Rev. B <strong>102</strong>, 174201 (2020). Funding from the Academy of Finland (grants 310574 and 285526) and computational resources from CSC [http://www.csc.fi] are acknowledged.</p>
Data supporting "Characterisation of the Morphology of Surface- Assembled Au Nanoclusters on Amorphous Carbon"
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Colloidal pathways of amorphous calcium carbonate formation lead to distinct water environments and conductivity
<p>Experimental data associated with Gindele et al.<i> Colloidal pathways of amorphous calcium carbonate formation lead to distinct water environments and conductivity</i>, <i>Nature Communications.</i></p>
Experimental Data - Lacey-Carbon on Ultrathin Carbon Grids and Amorphous Carbon Grids
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Data from: MoO2 nanosheets embedded in amorphous carbon matrix for sodium-ion batteries
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To Evaluate the Efficacy and Safety of Amorphous Calcium Carbonate in RA Patient With Osteopenia or Osteoporosis
ClinicalTrials.gov study NCT05443360. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Amorphous Calcium Carbonate (Acc) Versus Crystalline Calcium Carbonate (Ccc) Using Stable Calcium Isotopes In Postmenopausal Women
ClinicalTrials.gov study NCT01338142. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Investigating the Safety, Tolerability and Efficacy of Amorphous Calcium Carbonate (ACC) on the Treatment of Subjects With CRPC
ClinicalTrials.gov study NCT02864784. IPD Sharing: NO. Countries: 1. Publications: 0.
A Study of Amorphous Calcium Carbonate in Postmenopausal Women
ClinicalTrials.gov study NCT06728462. IPD Sharing: NO. Countries: 1. Publications: 0.
Safety, Tolerability and Efficacy of Amorphous Calcium Carbonate (ACC) Compared to Placebo and Best Available Care (BAT), for the Treatment of Moderate to Severe COVID-19 Patients.
ClinicalTrials.gov study NCT04900337. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Effects of Amorphous Calcium Carbonate Supplementation on Bone Health in Postmenopausal Women With Osteopenia
ClinicalTrials.gov study NCT05810909. IPD Sharing: NO. Countries: 1. Publications: 0.
A Study Comparing Amorphous Calcium Carbonate (ACC) Versus Crystalline Calcium CCS) in Hypoparathyroidism Patients
ClinicalTrials.gov study NCT01815021. IPD Sharing: Not stated. Countries: 1. Publications: 0.
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Allen Brain Atlas
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International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
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.