| _version_ | 1866901443381821440 |
|---|---|
| author | Mahajan, Shivam |
| author_facet | Mahajan, Shivam |
| contents | <p>This repository provides the datasets and scripts generated in this work to reproduce the numerical results and figures presented in the manuscript.</p> <p>The repository includes:</p> <ul> <li> <p>Averaged transverse and longitudinal dynamic structure factors</p> </li> <li> <p>Data corresponding to Figures 4, 5, 6, and 14</p> </li> <li> <p>Scripts required to regenerate the reported plots</p> </li> <li> <p>LAMMPS input files used to generate the simulated systems</p> </li> </ul> <p> </p> <p><strong>1. System Generation (LAMMPS)</strong></p> <p>The systems were generated using LAMMPS. For 2D LJ-like systems, run LAMMPS script <a href="https://zenodo.org/api/records/18752207/draft/files/in.rc-1.5-2d/content">in.rc-1.5-2d</a>. For 3D LJ-like system, run <a href="https://zenodo.org/api/records/18752207/draft/files/in.rc-1.5/content">in.rc-1.5</a>.</p> <p><strong>Prerequisite:</strong> LAMMPS must be compiled with the custom interaction potential defined in <a href="https://zenodo.org/api/records/18752207/draft/files/pair_lj_cut_vr.cpp/content"><code>pair_lj_cut_vr.cpp</code></a> and <a href="https://zenodo.org/api/records/18752207/draft/files/pair_lj_cut_vr.h/content"><code>pair_lj_cut_vr.h</code></a></p> <p>Simulations were executed on a computing cluster using <a href="https://zenodo.org/api/records/18752207/draft/files/submit.sh/content">submit.sh</a>. This script can be adapted for other cluster environments.</p> <p><strong>2. Simulation Output</strong></p> <p>LAMMPS generates:</p> <ul> <li> <p>A <code>dump</code> file containing particle positions in the inherent state</p> </li> <li> <p>A <code>forces</code> file containing pairwise force components</p> </li> </ul> <p>From the positional and force data:</p> <ul> <li> <p>The Hessian matrix is constructed.</p> </li> <li> <p>Diagonalization yields eigenvalues and eigenmodes.</p> </li> <li> <p>These eigenmodes are used to compute the transverse and longitudinal components of the dynamic structure factor.</p> </li> </ul> <p>Structure factors were averaged over independent samples to reduce statistical noise. The averaged data of dynamic strcuture factors (DSF) are included in this repository.</p> <p><strong>3. Figure Reproducibility</strong></p> <ul> <li>Running python code <a href="https://zenodo.org/api/records/18752207/draft/files/dsfMerged.py/content">dsfMerged.py</a> reproduces Figure 4, demonstrating the emergence of the flat band.</li> <li>The experimental dataset corresponding to the dynamic structure factor shown in Figures 5 and 6 is provided in <a href="https://zenodo.org/api/records/18752207/draft/files/data-Fig5AndFig6.txt/content">data-Fig5AndFig6.txt</a> file.</li> <li>The intensity of the flat band (Fig 14) can be plotted by running gnuplot <a href="https://zenodo.org/api/records/18752207/draft/files/FigFlatBandIntensity.plg/content">FigFlatBandIntensity.plg</a> for transverse component.</li> <li>For ratio of inetnsities corresponding to transverse to longitudinal components, run: gnuplot <a href="https://zenodo.org/api/records/18752207/draft/files/FigFlatBandIntensityRatios.plg/content">FigFlatBandIntensityRatios.plg</a></li> </ul> <p> </p> <p> </p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18752207 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Scripts and data for "A flat-band perspective on the boson peak in amorphous solids" Mahajan, Shivam <p>This repository provides the datasets and scripts generated in this work to reproduce the numerical results and figures presented in the manuscript.</p> <p>The repository includes:</p> <ul> <li> <p>Averaged transverse and longitudinal dynamic structure factors</p> </li> <li> <p>Data corresponding to Figures 4, 5, 6, and 14</p> </li> <li> <p>Scripts required to regenerate the reported plots</p> </li> <li> <p>LAMMPS input files used to generate the simulated systems</p> </li> </ul> <p> </p> <p><strong>1. System Generation (LAMMPS)</strong></p> <p>The systems were generated using LAMMPS. For 2D LJ-like systems, run LAMMPS script <a href="https://zenodo.org/api/records/18752207/draft/files/in.rc-1.5-2d/content">in.rc-1.5-2d</a>. For 3D LJ-like system, run <a href="https://zenodo.org/api/records/18752207/draft/files/in.rc-1.5/content">in.rc-1.5</a>.</p> <p><strong>Prerequisite:</strong> LAMMPS must be compiled with the custom interaction potential defined in <a href="https://zenodo.org/api/records/18752207/draft/files/pair_lj_cut_vr.cpp/content"><code>pair_lj_cut_vr.cpp</code></a> and <a href="https://zenodo.org/api/records/18752207/draft/files/pair_lj_cut_vr.h/content"><code>pair_lj_cut_vr.h</code></a></p> <p>Simulations were executed on a computing cluster using <a href="https://zenodo.org/api/records/18752207/draft/files/submit.sh/content">submit.sh</a>. This script can be adapted for other cluster environments.</p> <p><strong>2. Simulation Output</strong></p> <p>LAMMPS generates:</p> <ul> <li> <p>A <code>dump</code> file containing particle positions in the inherent state</p> </li> <li> <p>A <code>forces</code> file containing pairwise force components</p> </li> </ul> <p>From the positional and force data:</p> <ul> <li> <p>The Hessian matrix is constructed.</p> </li> <li> <p>Diagonalization yields eigenvalues and eigenmodes.</p> </li> <li> <p>These eigenmodes are used to compute the transverse and longitudinal components of the dynamic structure factor.</p> </li> </ul> <p>Structure factors were averaged over independent samples to reduce statistical noise. The averaged data of dynamic strcuture factors (DSF) are included in this repository.</p> <p><strong>3. Figure Reproducibility</strong></p> <ul> <li>Running python code <a href="https://zenodo.org/api/records/18752207/draft/files/dsfMerged.py/content">dsfMerged.py</a> reproduces Figure 4, demonstrating the emergence of the flat band.</li> <li>The experimental dataset corresponding to the dynamic structure factor shown in Figures 5 and 6 is provided in <a href="https://zenodo.org/api/records/18752207/draft/files/data-Fig5AndFig6.txt/content">data-Fig5AndFig6.txt</a> file.</li> <li>The intensity of the flat band (Fig 14) can be plotted by running gnuplot <a href="https://zenodo.org/api/records/18752207/draft/files/FigFlatBandIntensity.plg/content">FigFlatBandIntensity.plg</a> for transverse component.</li> <li>For ratio of inetnsities corresponding to transverse to longitudinal components, run: gnuplot <a href="https://zenodo.org/api/records/18752207/draft/files/FigFlatBandIntensityRatios.plg/content">FigFlatBandIntensityRatios.plg</a></li> </ul> <p> </p> <p> </p> |
| title | Scripts and data for "A flat-band perspective on the boson peak in amorphous solids" |
| url | https://doi.org/10.5281/zenodo.18752207 |