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12 results for “crystalline phases”

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zenodo44/100

Unit cells and resummed interactions for the calculations in "Systematic Analysis of Crystalline Phases in Bosonic Lattice Models with Algebraically Decaying Density-Density Interactions"

<p>This directory contains all the unit cells with the respective resummed interactions used for the optimisation procedure to obtain the results in the work &quot;Systematic Analysis of Crystalline Phases in Bosonic Lattice Models with Algebraically Decaying Density-Density Interactions[1]&quot;.</p> <p>To get an overview of the organization of the directory and a description of the data we recommend the README file.</p> <p>[1]: J. A. Koziol et al., Systematic Analysis of Crystalline Phases in Bosonic Lattice Models with Algebraically Decaying Density-Density Interactions, <a href="https://10.21468/SciPostPhys.14.5.136">10.21468/SciPostPhys.14.5.136</a>, 2023</p>

opencc-by-4.0Feb 2023View details →
zenodo44/100

Dataset for "A general purpose potential for glassy and crystalline phases of Cu-Zr alloys based on the ACE formalism"

<p>This dataset was used to fit a general purpose machine learning interatomic potential for the Cu-Zr system. It supports the paper &quot;A general purpose potential for glassy and crystalline phases of Cu-Zr alloys based on the ACE formalism&quot;.</p>

opencc-by-4.0Jul 2023View details →
zenodo44/100

Dataset for "Light-Induced Non-Thermal Phase Transition To The Topological Crystalline Insulator State In SnSe"

<p>Dataset relative to the publication</p> <p><strong>&quot;Light-Induced Non-Thermal Phase Transition To The Topological Crystalline Insulator State In SnSe&quot;</strong></p> <p>Stefano Mocatti, Giovanni Marini, Matteo Calandra</p> <p><em>J. Phys. Chem. Lett.</em>&nbsp;2023, 14, XXX, 9329&ndash;9334</p> <p><strong>DOI:&nbsp;</strong><a href="https://doi.org/10.1021/acs.jpclett.3c02450">10.1021/acs.jpclett.3c02450</a></p> <p>The dataset contains the following folders</p> <p><strong>Conv:&nbsp;</strong>Convergence tests for total energy, stress tensor and phonon frequencies</p> <p><strong>Pseudo:&nbsp;</strong>All pseudopotentials used&nbsp;</p> <p><strong>Figures:&nbsp;</strong>All the data and script to reproduce the figures reported in the manuscript</p> <p><strong>Fign:&nbsp;</strong>Simulation data referred to the n<sup>th&nbsp;</sup>figure&nbsp;of the manuscript</p> <p>The dataset contains also the preprint version of the manuscript (preprint.pdf) and the supporting information file (SI.pdf)&nbsp;</p>

opencc-by-4.0Oct 2023View details →
zenodo40/100

Finite strain continuum phenomenological model describing the shape-memory effects in multi-phase semi-crystalline networks

<p>This dataset comes from the following paper:</p> <p>Matteo Arricca, Nicoletta Inverardi, Stefano Pandini, Maurizio Toselli, Massimo Messori, Giulia Scalet, Finite strain continuum phenomenological model describing the shape-memory effects in multi-phase semi-crystalline networks, Journal of the Mechanics and Physics of Solids, 105955, 2024. <a title="Persistent link using digital object identifier" href="https://doi.org/10.1016/j.jmps.2024.105955" target="_blank" rel="noopener"><span><span>https://doi.org/10.1016/j.jmps.2024.105955</span></span></a></p> <p>It contains:</p> <ul> <li>"Notes.pdf" describing all the files uploaded</li> <li>. txt experimental data</li> </ul>

opencc-by-4.0Nov 2024View details →
zenodo40/100

Extended ensemble molecular dynamics study of ammonia–cellulose I complex crystal models: free-energy landscape and atomistic pictures of ammonia diffusion in the crystalline phase.

<p>The data deposited here accompany the manuscript &quot;Extended ensemble molecular dynamics study of ammonia&ndash;cellulose I complex crystal models: free-energy landscape and atomistic pictures of ammonia diffusion in the crystalline phase&quot; and include the molecular dynamics trajectories and the AMBER topology (parm) files. Detailed file contents are summarized in the README file.</p>

opencc-by-4.0Jun 2023View details →
zenodo36/100

Crystalline Morphology Formation in Phase-Field Simulations of Binary Mixtures

<p>Simulation data used for the publication "Crystalline Morphology Formation in Phase-Field Simulations of Binary Mixtures" in Journal of Materials Chemistry C, Royal Society of Chemistry (2023). See README file for more details.</p>

opencc-by-4.0Nov 2023View details →
zenodo36/100

Low-frequency anharmonic couplings in bromoform revealed from 2D Raman-THz spectroscopy: From the liquid to the crystalline phase

<p>Raw data for &quot;Low-frequency anharmonic couplings in bromoform revealed from 2D Raman-THz spectroscopy: From the liquid to the crystalline phase&quot;</p>

opencc-by-4.0Apr 2022View details →
zenodo36/100

Data of figures from: Berard et al, Effect of Crystalline Phase and Facet Nature on the Adsorption of Phosphate Species onto TiO2 Nanoparticles, Langmuir 2024

Open the record for dataset details and reuse information.

opencc-by-4.0Jul 2024View details →
zenodo36/100

Dataset for publication High-capacitance BiPO4 material with monoclinic-hexagonal crystalline phase heterostructure for aqueous asymmetric supercapacitors

<p>The dataset contains all relevant data and figures regarding the manuscript "High-capacitance BiPO4 material with monoclinic/hexagonal crystalline phase heterostructure for aqueous asymmetric supercapacitors".</p> <p>All Figures are in tiff format and all relevant data are in csv formats.&nbsp;</p> <p>The data in csv format are labelled as specified in the corresping images (e.g. Figure 1a csv file corresponds to data used to plot graphs from Figure 1a etc.).&nbsp;</p> <p>Axis labeling and units are always specified at the beginning of individual columns. If more than one curve was plotted from the csv file, the conditions can also be found at the beginning of corresponding columns.</p>

opencc-by-4.0Oct 2024View details →
zenodo32/100

Data for "Directed crystalline symmetry transformation of blue-phase liquid crystals by reverse electrostriction"

<p>Experimental and numerical data associated with the paper "Directed crystalline symmetry transformation of blue-phase liquid crystals by reverse electrostriction."</p>

opencc-by-4.0Jul 2024View details →
zenodo24/100

Lyotropic Liquid-Crystalline Phases of Sophorolipid Biosurfactants

<p>Biological amphiphiles derived from natural resources are presently being investigated in the hope that they will someday replace current synthetic surfactants, which are known pollutants of soils and water resources. Sophorolipids constitute one of the main classes of glycosylated biosurfactants that have attracted interest because they are synthesized by non-pathogenic yeasts from glucose and vegetable oils at high titers. In this work, the self-assembly properties of several sophorolipids in water at high concentrations (20&nbsp;&ndash;&nbsp;80&nbsp;wt%), a range so far mostly uncharted, have been investigated by polarized-light microscopy and X-ray scattering. Some of these compounds were found to show lyotropic liquid-crystalline behavior as they display lamellar or hexagonal columnar mesophases. X-ray scattering data shows that the structure of the lamellar phase is almost fully interdigitated, which is likely due to the packing difference between the bulky hydrophilic tails and the more compact aliphatic chains. A tentative representation of the molecular organization of the columnar phase is also given. Moreover, some of these compounds display thermotropic liquid-crystalline behavior, either pure or in aqueous mixtures. In addition, small domains of the lamellar phase can easily be aligned by applying them a moderate a.c. electric field, which is a rather unusual feature for lyotropic liquid crystals. Altogether, our work explored the self-assembly liquid-crystalline behavior of sophorolipids at high concentration, which could shed light on the conditions of their potential industrial applications as well as on their biological function.&nbsp;</p>

opencc-by-4.0Sep 2022View details →
ClinicalTrials.gov24/100

Nano-crystalline Megestrol Acetate Combined With Standard Treatment Versus Standard Treatment for First-line Extensive-stage Small Cell Lung Cancer in the Cachexia Phase

ClinicalTrials.gov study NCT06961201. IPD Sharing: Not stated. Countries: 1. Publications: 0.

restrictedIPD-UNDECIDEDFeb 2026View details →

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