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2,208 results for “Coupling”
Sondni, Madhya Pradesh, India. Vidyādhara couple, early sixth century.
<p>Sondni, Madhya Pradesh, India. Vidyādhara couple, early sixth century. Now National Museum of India. Photograph 1980; digitisation 2016. © National Musuem of India.</p>
Sondni, Madhya Pradesh, India. Vidyādhara couple, detail, early sixth century.
<p>Sondni, Madhya Pradesh, India. Vidyādhara couple, detail, early sixth century. Now National Museum of India. Photograph 1980; digitisation 2016.</p>
Moisture-Precipitation Couplings for Mesoscale Convective Systems in Tracking Data and Idealized Simulations
<p>Morphological properties, collocated synoptic conditions, and collocated rainfall for mesoscale convective systems in 1) the ISCCP Convective Tracking (CT) dataset with coincident data from the ERA-Interim (ERA-I) reanalysis and the Multi-Source Weighted-Ensemble Precipitation (MSWEP) product and 2) long-channel radiative-convective equilibrium (RCE) simulations in the System for Atmospheric Modeling (SAM).</p> <p><strong>ISCCP_tracking_colloc.tar.gz </strong>- NetCDF files by year from 2000 to 2004 inclusive including ISCCP-CT morphological properties of MCSs, a series of collocated synoptic variables from ERA-5 (including specific humidity, temperature, vertical velocity, and cloud condensate profiles), and collocated precipitation intensity and accumulation from MSWEP.</p> <p><strong>RCE_colloc_execution1.tar.gz</strong> - NetCDF files including RCE-SAM extent of MCSs (RCE_COL_cluster-sizes_*.nc), as well as collocated synoptic variables. Collocation of synoptic variables is performed for these files by extracting and averaging the variables over grid cells where the precipitation is greater than either its mean (RCE_COL_MEAN_*.nc) or its 99th percentile (RCE_COL_99_*.nc).</p> <p><strong>RCE_colloc_execution2.tar.gz</strong> - NetCDF files including RCE-SAM extent of MCSs (RCE_COL_cluster-sizes_*.nc), as well as collocated synoptic variables. Collocation of synoptic variables is performed for these files by taking either the mean (RCE_COL_MEAN_*.nc) or the 99th percentile (RCE_COL_99_*.nc) value over all grid cells within the MCS.<br><br>For the NetCDF files from RCE output, the numeric value in the file name is the corresponding sea surface temperature from 280 to 310 K.</p>
Dataset for "Reconfigurable Magnonic Crystals Based on Imprinted Magnetization Textures in Hard and Soft Dipolar-Coupled Bilayers"
<p>The dataset consist of the data of the numerical simulations used to prepare the figures for the manuscript: </p><p>Krzysztof Szulc, Silvia Tacchi, Aurelio Hierro-Rodríguez, Javier Díaz, Paweł Gruszecki, Piotr Graczyk, Carlos Quirós, Daniel Markó, José Ignacio Martín, María Vélez, David S. Schmool, Giovanni Carlotti, Maciej Krawczyk, and Luis Manuel Álvarez-Prado. <i>Reconfigurable Magnonic Crystals Based on Imprinted Magnetization Textures in Hard and Soft Dipolar-Coupled Bilayers</i>. ACS Nano <strong>2022</strong> <i>16</i> (9), 14168-14177.</p><p>Please read README.txt file to see the description of the data in the files.</p>
Antarctic Ice-Ocean Coupled Projections
<p>UKESM1-Ice Antarctic Ocean-Ice sheet coupled projections associated with the SSP1-1.9 and SSP5-8.5 climate change scenarios for the 2015-2100 period. Each scenario is composed by four ensemble members. The <strong>README.txt</strong> file includes a general description of the dataset. Details about the projections and the model implementation can be found in <a href="https://tc.copernicus.org/articles/16/4053/2022/">https://tc.copernicus.org/articles/16/4053/2022/</a>. </p>
Dataset related to publication: Robust radiative cooling via surface phonon coupling-enhanced emissivity from SiO2 micropillar arrays
<p>Dataset related to the publication:</p><p>Zhenmin Ding, Xin Li, Hulin Zhang, Dukang Yan, Jérémy Werlé, Ying Song, Lorenzo Pattelli, Jiupeng Zhao, Hongbo Xu, Yao Li. Robust radiative cooling via surface phonon coupling-enhanced emissivity from SiO2 micropillar arrays. <i>International Journal of Heat and Mass Transfer</i>, 220, 125004 (2024). doi: <a href="https://doi.org/10.1016/j.ijheatmasstransfer.2023.125004">10.1016/j.ijheatmasstransfer.2023.125004</a></p><p>The repository contains MATLAB/Octave scripts to perform rigorous coupled-wave analysis (RCWA) simulations for a SiO2 layer decorated with micropillars.</p><p>The main script runs a series of rigorous electromagnetic simulations over the atmospheric transparency window wavelength range (8-13 µm) for all combination of three main structural parameters (pillar diameter, spacing and height), within a user-defined range.</p><p>Running the code requires the RETICOLO v9 RCWA code:</p><blockquote><p>Jean-Paul Hugonin, & Philippe Lalanne. (2021). Light-in-complex-nanostructures/RETICOLO: V9. Zenodo. <a href="https://doi.org/10.5281/zenodo.4419063">https://doi.org/10.5281/zenodo.4419063</a></p></blockquote>
The coupling mechanism of ligands with SERT distinguishes substrates from inhibitors (raw data)
<p>Raw data of the manuscript: Ligand coupling mechanism of the human serotonin transporter differentiates substrates from inhibitors</p> <p><strong>Abstract:</strong></p> <p>The presynaptic serotonin transporter (SERT) reuptakes the serotonin (5HT) released into the synaptic cleft, thus ensuring temporal and spatial regulation of serotonergic signalling. Clinically approved drugs used for the treatment of neurological disorders, including depression and anxiety modulate SERT by trapping the transporter in the outward-open conformation. Illicit drugs of abuse as amphetamines act as substrates but reverse the transport direction, thereby releasing intracellular accumulated 5HT. Both mechanisms increase extracellular 5HT levels. Stoichiometry of the transport cycle has been described by kinetic schemes, the structures of the main conformations within the transport cycle revealed static coordinates. By combining <em>in-silico</em> approaches with <em>in-vitro</em> experiments and making use of a homologous series of 5HT analogues, we decoded the essential coupling mechanism between the substrate and the transporter which triggers uptake. The free energy calculations showed that only scaffold-bound substrates can correctly close the extracellular gate by pulling on the bundle domain through long-range electrostatic interactions. The associated spatial and physico-chemical requirements define substrate and inhibitor properties, opening new possibilities for rational drug design approaches.</p>
Collective Strong Coupling Modifies Aggregation and Solvation - Dataset
<p>Dataset to complement "Collective Strong Coupling Modifies Aggregation and Solvation" - includes output and cube files obtained using the <a href="https://etprogram.org/">eT program</a>, an open source electronic (and molecular-polaritonic) structure program.</p> <p>See the paper at <a title="DOI URL" href="https://doi.org/10.1021/acs.jpclett.3c03506">https://doi.org/10.1021/acs.jpclett.3c03506</a></p>
Non-linear three-mode coupling of gravity modes in rotating slowly pulsating B stars: Stationary solutions and modeling potential
<p>This repository contains the material available online that accompanies <a href="https://arxiv.org/abs/2311.02972" target="_blank" rel="noopener">Van Beeck et al. (2024)</a> (ArXiv link). </p> <p>It contains zipped archives that contain inlists and final data products for the MESA stellar evolution code\(^1\) (version 15140), the GYRE stellar pulsation/oscillation code\(^2\) (version 6.0.1) and the AESolver stellar oscillation mode coupling code\(^3\).</p> <p>In the technical information section below you may find a description of the contents of this repository. The abstract of <a href="https://arxiv.org/abs/2311.02972" target="_blank" rel="noopener">Van Beeck et al. (2024)</a> is also available below.</p> <p> </p> <p><em>Footnotes :</em></p> <p><em>\(^1\): see <a href="https://docs.mesastar.org/en/r15140/" target="_blank" rel="noopener">https://docs.mesastar.org/en/r15140/</a> for additional details about the MESA stellar evolution code.</em></p> <p><em>\(^2\): see <a href="https://gyre.readthedocs.io/en/v6.0.1/">https://gyre.readthedocs.io/en/v6.0.1/</a> for additional details about the GYRE stellar pulsation/oscillation code.</em></p> <p><em>\(^3\): the AESolver code can be downloaded from its Github repository: <a href="https://github.com/JVB11/AESolver" target="_blank" rel="noopener">https://github.com/JVB11/AESolver</a>; its documentation may be consulted at <a href="https://jvb11.github.io/AESolver/" target="_blank" rel="noopener">https://jvb11.github.io/AESolver/</a>.</em></p>
Droplet-based Microfluidics Reveals Insights into Cross-Coupling Mechanisms over Single-Atom Heterogeneous Catalysts
<p>Data set supporting the publication of : "Droplet-based Microfluidics Reveals Insights into Cross-Coupling Mechanisms over Single-Atom Heterogeneous Catalysts" (<a href="https://doi.org/10.1002/anie.202401056">https://doi.org/10.1002/anie.202401056</a>) by T. Moragues, G. Giannakakis, A. Ruiz-Ferrando, C. N. Borca, T. Huthwelker, A. Bugaev, A. J. deMello, J. Pérez-Ramírez and S. Mitchell.</p>
Strong coupling electron-photon dynamics: a real-time investigation of energy redistribution in molecular polaritons - Dataset
<p>Dataset complement to "Strong coupling electron-photon dynamics: a real-time investigation of energy redistribution in molecular polaritons" - includes output and video files obtained using the <a href="https://etprogram.org/">eT program</a>, an open-source electronic (and molecular-polaritonic) structure program.</p> <p>See the paper at <a href="https://doi.org/10.1103/PhysRevResearch.6.033283">https://doi.org/10.1103/PhysRevResearch.6.033283</a></p>
Dataset for "Effect of the atomic structure of complexions on the active disconnection mode during shear-coupled grain boundary motion"
<p>This repository contains the data of the simulations and theoretical<br>calculations of the paper "Effect of the atomic structure of complexions on the active disconnection mode during shear-coupled grain boundary motion".</p>
Coupled LEM Bio Simulation and Plotting Code
<p>This version includes the simulation codes, modified modules, and plotting scripts used in the study “Direct effects of mountain uplift and topography on biodiversity” by Eyal Marder, Tara M. Smiley, Brian J. Yanites, and Katherine Kravitz, published in <em>Science (2025)</em>.</p> <p>The simulation dataset files are available in Version 1 and can be accessed at <a href="https://doi.org/10.5281/zenodo.10818931" target="_blank" rel="noopener">Zenodo DOI: 10.5281/zenodo.10818931</a>.</p>
Coupling charge and topological reconstructions at polar oxide interfaces
<p>Dataset corresponding to the publication 'Coupling charge and topological reconstructions at polar oxide interfaces' (<a href="https://arxiv.org/abs/2107.03359">arXiv:2107.03359</a>) (Phys. Rev. Lett. <strong>127</strong>, 127202) </p>
A coupled MD-FE methodology to characterize mechanical interphases in polymeric nanocomposites: pseudo-experimental data
<p>readme.txt</p> <p><strong>Abstract:</strong><br> (from [1])</p> <blockquote> <p>This contribution introduces an unconventional procedure to characterize spatial profiles of elastic and inelastic properties inside polymer interphases around nanoparticles. Interphases denote those regions in the polymer matrix whose mechanical properties are influenced by the filler surfaces and thus deviate from the bulk properties. They are of particular relevance in case of nano-sized filler particles with a comparatively large surface-to-volume ratio and hence can explain the frequent observation that the overall properties of polymer nanocomposites cannot be determined by classical mixing rules, which only consider the behavior of the individual constituents.<br> <br> Interphase characterization for nanocomposites poses hardly solvable challengesto the experimenter and is still an unsolved problem in many cases. Instead of real experiments, we perform pseudo experiments using our recently developed Capriccio method, which is an MD-FE domain-decomposition tool specifically designed for amorphous polymers. These pseudo-experimental data then serve as input for a typical inverse parameter identification. With this procedure, spatially varying mechanical properties inside the polymer are, for the first time, translated into intuitively understandable profiles of continuum mechanical parameters.</p> <p><br> As a model material, we employ silica-enforced polystyrene, for which our procedure reveals exponential saturation profiles for Young’s modulus and the yield stress inside the interphase, where the former takes about seven times the bulk value at the particle surface and the latter roughly triples. Interestingly, hardening coefficient and Poisson’s ratio of the polymer remain nearly constant inside the interphase. Besides gaining insight into the constitutive influence of filler particles, these unexpected and intriguing results also offer interesting explanatory options for the failure behavior of polymer nanocomposites.</p> </blockquote> <p> </p> <p><strong>Contact:</strong></p> <p>Maximilian Ries<br> Institute of Applied Mechanics<br> Friedrich-Alexander-Universiät Erlangen-Nürnberg<br> Egerlandstr. 5<br> 91058 Erlangen</p> <p> </p> <p><strong>License:</strong></p> <p>Creative Commons Attribution 4.0 International</p> <p> </p> <p><strong>Context:</strong></p> <p>Data set supplementing journal paper:<br> [1] Ries, M.; Possart, G.; Steinmann, P. & Pfaller, S., "A coupled MD-FE methodology to characterize mechanical interphases in polymeric nanocomposites," <em>International Journal of Mechanical Sciences, </em><em>Elsevier, </em><strong>2021</strong>, 106564.</p> <p>This dataset contains the results of a multiscale study on polystyrene-silica nanocomposites using an atomistic-continuum coupling approach. 120 polystyrene samples, each containing 2 nano-sized silica particles are subjected to uniaxial tension. Here we use coarse-grained molecular dynamics (MD) domain embedded into a larger finite element (FE) region. These two resolutions are coupled in a concurrent multiscale fashion using the so-called Capriccio method. We observe the deformation state of the MD and FE domain, as well as the relative displacement of the two nanoparticles with respect to each other. Based on this pseudo-experimental data, we derive the material properties (Young's modulus, Poisson's ratio, yield stress, hardening) of the interphase forming in the proximity of the nanoparticles in [1].</p> <p>A more detailed description of the used methods can be found in Ries et al. [1].</p> <p> </p> <p><strong>Content:</strong></p> <p>The attached text file contains the following quantities (columns) for all samples (rows):</p> <ul> <li>sample: [initial nanoparticle distance]-ID</li> <li>d0_NP: initial distance of nanoparticles in nm</li> <li>rot_x: rotation of nanoparticles with respect to x-axis in degree</li> <li>d_NP: distance of nanoparticles in nm (after equilibration)</li> <li>Elements: number of finite elements</li> <li>Element_warnings: number of element warnings by Abaqus</li> <li>LS: loadstep 1-6</li> <li>eps_NP(LS): tensile strain of nanoparticles in loadstep LS in %</li> <li>eps_MD(LS): tensile strain of MD domain in loadstep LS in %</li> <li>eps_NP_MD(LS): tensile strain of nanoparticles normalized to eps_MD(LS) in loadstep LS</li> <li>eps_FE(LS): tensile strain of FE domain in loadstep LS in %</li> <li>eps_NP_FE(LS): tensile strain of nanoparticles normalized to eps_FE(LS) in loadstep LS</li> <li>eps_NP_FE(LS): tensile strain of nanoparticles normalized to eps_FE(LS) in loadstep LS</li> <li>u_max(LS): maximum displacement of FE nodes in load step LS in nm</li> <li>F_ext(LS): external force in load step LS in E-11 N</li> </ul> <p> </p>
WINTERC-G: a global upper mantle thermochemical model from coupled geophysical–petrological inversion of seismic waveforms, heat flow, surface elevation and gravity satellite data
<p>WINTERC-G: A global, temperature and compositional model of the lithosphere<br> and upper mantle.<br> Version: v5.4, December 2020, J. Fullea, S. Lebedev, Z. Martinec, N. Celli<br> <br> Contact: Javier Fullea (jfullea@ucm.es)<br> Facultad de Fisica,<br> Universidad Complutense de Madrid (UCM),<br> Spain<br> ////////<br> Geophysics Section,<br> Dublin Institute for Advanced Studies<br> Dublin, Ireland<br> </p> <p>TYPE:<br> This contains files with:<br> i) the model directly on the triangular grid solved for in the surface wave inversion.</p> <p> ii) an interpolated grid at 0.5 deg lateral resolution for the density and density discontinuities used in the gravity field data inversion<br> </p> <p>If you have any questions regarding the methodology or the construction<br> of the model, please contact the authors. If you use the model, we would<br> request that you cite the reference indicated below, and appreciate<br> your feedback regarding the model and its application.</p> <p>Citation:</p> <p>Fullea, J., Lebedev, S., Martinec, Z., & Celli, N. L. (2021). WINTERC-G: mapping the upper mantle thermochemical heterogeneity from coupled geophysical–petrological inversion of seismic waveforms, heat flow, surface elevation and gravity satellite data. Geophysical Journal International, 226(1), 146-191.</p> <p>*******************************<br> Summary: construction of the model.<br> WINTERC-G is a Waveform tomography and Gravity (geoid and gravity anomalies and gradiometric measurements<br> from ESA's GOCE mission) INversion model of the TEmpeRature and Composition of the lithosphere and upper mantle at<br> global scale. WINTERC-G is based on upon the integrated geophysical-petrological<br> approach LitMod (Afonso et al., 2008; Fullea et al. 2009) and, hence, all<br> relevant mantle rock physical properties modelled (seismic velocities and density) are<br> computed within a thermodynamically self-consistent framework allowing for a direct<br> parameterization in terms of the temperature and composition of the lithosphere-upper<br> mantle. The inversion is a two-step procedure. In a first step, we invert surface-wave, Rayleigh and Love<br> fundamental mode dispersion curves from a high resolution global dataset measured using waveform inversion,<br> along with surface heat flow and elevation (isostasy) for temperature and crustal structure<br> using a point-wise, non-linear, gradient-search inversion<br> over a triangular grid with an average 225 km lateral inter-knot spacing. In a second step we<br> use a fully parallelized spherical harmonic formalism to invert satellite gravity field data in<br> order to refine the initial crustal density and mantle composition distributions from the step 1<br> for a fixed temperature field.</p> <p>The parameter space in step 1 includes crust (densities and S-wave velocities for a three-layered crust)<br> and mantle variables (the depth of the thermal Lithosphere-Athenosphere-Boundary,<br> the thickness of the sublithospheric thermal buffer, the sublithospheric temperatures at 3 different<br> equispaced nodes down to 400 km, the lithospheric and sublithospheric mantle compositon, and<br> the the radial anisotropy at the 3 crustal layers and at 56, 80, 110, 150, 200, 260, 330,<br> and 400 km depths.</p> <p>The parameter space in step 2 is defined by the average crustal density, and the<br> mantle composition in the lithosphere and sublithosphere.<br> We use the output crustal density from step 1 as the<br> initial value in step 2 inversion. Mantle densities are derived based on the output temperature<br> field from step 1 (kept fixed) and the bulk mantle composition inversion variables.</p> <p> </p> <p> </p> <p>*******************************</p> <p>This archive contains the following files:<br> README (this file)<br> WINTERC-G_Vp-Vs.lis (triangular grid)<br> WINTERC-G_rad_anis_Vs.lis (triangular grid)<br> WINTERC-G_Temperature.lis (triangular grid)<br> WINTERC-G_Density.lis (triangular grid)<br> WINTERC-G_LAB.lis (triangular grid)<br> WINTERC_T_rho_1D.z (1D average model of temperature and density)<br> rho_*_out.xyz (0.5 deg egular grid for gravity field)<br> ETOPO2_km_continental.xyz (0.5 deg egular grid for gravity field)<br> ETOPO2_km_depth_Ice.xyz (0.5 deg egular grid for gravity field)<br> ETOPO2_km_depth_Bed.xyz (0.5 deg egular grid for gravity field)<br> Global_Moho_WINTERC-G.xyz (0.5 deg egular grid for gravity field)</p> <p><br> Files in the triangular grid with an average 225 km lateral inter-knot spacing (12232 grid points):</p> <p>* WINTERC-G_Vp-Vs.lis: Vp and Vs (in km/s) in all model columns with a vertical grid step of 2 km<br> Format for each column:<br> #Column number longitude latitude depth(km, <0 downwards) Vp (km/s) Vs(km/s)<br> 5640 93.72 4.135 -5.0 3.91 2.11</p> <p><br> * WINTERC-G_rad_anis_Vs.lis: radial anisotropy, (Vsh-Vsv)/Vs_iso (in %) in all model columns with a vertical grid step of 2 km<br> Format for each column:<br> #Column number longitude latitude depth(km, <0 downwards) anisotropy (%)</p> <p>* WINTERC-G_Temperature.lis: temperature (in ºC) in all model columns with a vertical grid step of 2 km<br> Format for each column:<br> #Column number longitude latitude depth (km, <0 downwards) T (ºC) dT (%) dT(K) <br> 6437 297.20 -2.524 -259.000 1431.9 -1.91 -27.9<br> The anomalies dT are in % and K with respect to the 1D model in WINTERC_T_rho_1D.z (column 2).</p> <p>* WINTERC-G_Density.lis: density (in kg/m3) in all model columns with a vertical grid step of 2 km<br> Format for each column:<br> #Column number longitude latitude depth(km, <0 downwards) rho (kg/m3) drho(%) drho(kg/m3)<br> The anomalies drho are in % and kg/m3 with respect to the 1D model in WINTERC_T_rho_1D.z (column 3).</p> <p>* WINTERC_T_rho_1D.z: 1D average model of temperature (column 2 in ºC) and density (column 3 in kg/m3) with a vertical grid step of 2 km <br> 5.00000000 0.0000000000000000 6.0259973839110526<br> 3.00000000 0.0000000000000000 38.960571309690394<br> 1.00000000 0.33634006819423840 174.42296045978722<br> -1.00000000 3.8888495253719624 1692.8437489147236<br> -3.00000000 23.974111923225379 1863.8834351235944<br> -5.00000000 47.727920701943034 2568.2414495590924<br> -7.00000000 89.633398074381162 2819.8386016341910<br> -9.00000000 137.01489361657013 2839.5325893195904<br> -11.0000000 182.35233447017222 2897.6600872935287<br> -13.0000000 224.46247069572485 2945.2036923862997<br> -15.0000000 260.63395547331390 3069.6809340323475<br> -17.0000000 292.28175449521456 3132.4574175461721<br> -19.0000000 322.29571965406632 3145.5747337463940<br> -21.0000000 351.58698283375054 3157.2401512748038<br> -23.0000000 380.30002225705056 3177.0000420059773<br> -25.0000000 408.50259805632055 3183.6651032398490<br> -27.0000000 436.22632217636487 3190.9586785996116<br> -29.0000000 463.48733903170023 3198.9369509456310<br> -31.0000000 490.29841705549831 3209.7229872383764<br> -33.0000000 516.71149258457456 3221.6329506091679<br> ...</p> <p>Files in the interpolated regular grid at 0.5 deg lateral resolution used for gravity field data inversion:</p> <p> * rho_c_out.xyz: average crustal density<br> * rho_submoho_out.xyz: mantle density below the Moho discontinuity<br> * rho_*_out.xyz: mantle density defined at different model depths: 20, 35, 56, 80, 110, 150, 200, 260, 330 and 400 km.</p> <p> Format for the density files:<br> # longitude latitude density (kg/m3)<br> <br> Files containing layer discontinuities:</p> <p> * ETOPO2_km_continental.xyz: surface elevation including ice sheet and 0 in marine areas (km, <0 upwards)</p> <p> * ETOPO2_km_depth_Ice.xyz: surface elevation including ice sheet (km, >0 downwards, <0 above sea level)</p> <p> * ETOPO2_km_depth_Bed.xyz: bedrock surface elevation without ice sheet (km, >0 downwards, <0 above sea level)</p> <p> * Global_Moho_WINTERC-G.xyz: crust-mantle discontinuity depth (km, >0 downwards)</p> <p> Format for the discontinuity files:<br> # longitude latitude depth (km)<br> <br> <br> The gravity field in WINTERC-G is computed using an spherical harmonic formalism and a model discretization<br> in 13 layers with laterally varying density. The first 7 layers are characterized by top and bottom boundaries with laterally varying radius whereas the last 6 layers are defined by top and bottom boundaries with constant radius:</p> <p>1/ Water: from ETOPO2_km_continental.xyz to ETOPO2_km_depth_Ice.xyz with rho=1030 kg/m3 (constant vertically)</p> <p>2/ Ice: from ETOPO2_km_depth_Ice.xyz to ETOPO2_km_depth_Bed.xyz with rho=910 kg/m3 (constant vertically)</p> <p>3/ Crust: from ETOPO2_km_depth_Bed to Global_Moho_WINTERC-G.xyz with rho=rho_c_out.xyz (constant vertically)</p> <p>4/ submoho-20km: from Global_Moho_WINTERC-G.xyz to z_20km (file with 20 km everywhere except where z_moho>20km) with rho=rho_submoho_out.xyz (top) and rho=rho_20km_out.xyz (bottom)</p> <p>5/ 20km-36km: from z_20km (file with 20 km everywhere except where z_moho>20km) to z_36km (file with 36 km everywhere except where z_moho>36km) with rho=rho_20km_out.xyz (top) and rho=rho_36km_out.xyz (bottom)</p> <p>6/ 36km-56km: from z_36km (file with 36 km everywhere except where z_moho>36km) to z_56km (file with 56 km everywhere except where z_moho>56km) with rho=rho_36km_out.xyz (top) and rho=rho_56km_out.xyz (bottom)</p> <p>7/ 56km-80km: from z_56km (file with 56 km everywhere except where z_moho>56km) to 80 km depth with rho=rho_56km_out.xyz (top) and rho=rho_80km_out.xyz (bottom)</p> <p>The next 6 layers are computed using the constant radius option:</p> <p>8/ 80km-110km: from z=80km to z=110 km with rho=rho_80km_out.xyz (top) and rho=rho_110km_out.xyz (bottom)</p> <p>9/ 110km-150km: from z=110km to z=150 km with rho=rho_110km_out.xyz (top) and rho=rho_150km_out.xyz (bottom)</p> <p>10/ 150km-200km: from z=150km to z=200 km with rho=rho_150km_out.xyz (top) and rho=rho_200km_out.xyz (bottom)</p> <p>11/ 200km-260km: from z=200km to z=260 km with rho=rho_200km_out.xyz (top) and rho=rho_260km_out.xyz (bottom)</p> <p>12/ 260km-330km: from z=260km to z=330 km with rho=rho_260km_out.xyz (top) and rho=rho_330km_out.xyz (bottom)</p> <p>13/ 330km-400km: from z=330km to z=400 km with rho=rho_330km_out.xyz (top) and rho=rho_400km_out.xyz (bottom)</p> <p> </p> <p> </p>
HARVEST_200130_MOD_ANIS_4.2_APDL_UNIPD_CONSORTIUM_COUPLED+THERMAL+ELECTRIC.txt
<p>Ansys APDL files for the electric, thermal and thermo-electric properties of two-ply laminates with periodic boundary conditions.</p>
Data supplement for "Gradient flows for coupling order parameters and mechanics"
<p>In this data repository we provide additional information necessary for the generation of the images in the paper "Gradient flows for coupling order parameters and mechanics". The simulation results are generated by a FEniCS code, run on Google Colab and the code is available at <a href="https://github.com/schmellerl/gradient_flows_order_parameters_mechanics">https://github.com/schmellerl/gradient_flows_order_parameters_mechanics</a>. The preprint of the article can be found under the DOI 10.20347/WIAS.PREPRINT.2909.</p> <p> </p> <p> </p>
G-Protein Coupled Receptor-Ligand Dissociation Rates and Mechanisms from tauRAMD Simulations
<p>Data and Python scripts used for generation and analysis of RAMD dissociation trajectories for several GPCR complexes (including example showing generation of the Protein-Ligand Interaction Fingerprints, IFP, for several representative RAMD trajectories),</p> <p>reported in the manuscript</p> <p>"G-Protein Coupled Receptor-Ligand Dissociation Rates and Mechanisms from tRAMD Simulations" "G-Protein Coupled Receptor-Ligand Dissociation Rates and Mechanisms from tauRAMD Simulations"</p> <p>by Daria B. Kokh, Rebecca C. Wade</p> <p>submitted to the Journal of Chemical Theory and Computation</p> <p> </p> <p>1. <strong>README.txt </strong>- instruction for script usage</p> <p>2. <strong>PDBs.zip</strong> - PDB structures of complexes in water box used in the analysis, ligand PDB and mol2 structures</p> <p>3. <strong>tauRAMD_v2.py </strong>- Python sctipt for estimation relative residence times from Gromacs-RAMD output </p> <p>4. <strong>IFP_preprocess_Gromacs.py</strong> and <strong>IFP_SL-B2AR-WB-EX.py - </strong>Python scripts for preprocessing of RAMD trajectories and generation of IFPs</p> <p>5. <strong>Scripts.zip</strong> - additional python functions </p> <p>6. <strong>IXO-CHL.zip, IXO-ALO-CHL.zip, ACh-CHL.zip, b2AR.zip</strong> - Protein-Ligand Interaction Fingerprints (PL IFPs) generated from RAMD trajectories for <em>mAChR M2 with iperoxo</em>, <em>mAChR M2 </em><em> with iperoxo and PAM, mAChR M2 with ACh, and </em>β<em>2AR with alprenolol </em><em>.</em> </p> <p>7. <strong>Topology.zip</strong> - Gromacs topology, index.ndx, and coordinate gro files for all four systems</p> <p>8. <strong>Example_b2AR-alprenolol.zip </strong>- a set of data for a test example showing how IFP can be generated from RAMD trajectories (including several representative trajectories)</p> <p>9. <strong>Example_b2AR-alprenolol.tar </strong>- almost the same set of data as above (compressed in Windows) but for Linux users. The only difference between tar and zip archive: a short equilibration trajectory that is missing in the zip set but is included in the tar archive.</p> <p>10.<strong> Gromacs-IFP-GPCR.ipynb</strong> - Jupyter Notebook for analysis of trajectories using generated IFP data</p> <p>11. <strong>Auxi-Plots-GPCR.ipynb - </strong>Jupyter Notebook for generation additional plots from the paper</p> <p>12. <strong>Waters.zip</strong> - number of water molecules in the binding pocket in dissociation trajectories of the <em> </em>β<em>2AR - alprenolol system</em></p> <p>13. <strong>GPCR.yml</strong> - JN environment file</p> <p> </p>
Data used to create figures and tables in the ACP manuscript "Two-way coupled meteorology and air quality models in Asia: a systematic review and meta-analysis of impacts of aerosol feedbacks on meteorology and air quality" by Gao et al. (2022)
<p>This dataset contains the original data that extracted from all collected papers refering applications of two-way coupled models in Asia. It is supplied to the review paper, which titled as "Review on two-way coupled meteorology and air quality models in Asia: impacts of aerosol feedbacks on meteorology and air quality". The dataset includes three excel files (in the format of xlsx) as follows:</p> <p>1. Basic information of literatures (Table S1.xlsx)</p> <p>2. Model performance metrics (Table S2.xlsx)</p> <p>3. Quantitative results of aerosol effects on meteorological and air quality variables (Table S3.xlsx)</p> <p>4. Basic information of model setup for two-way coupled model applications in Asia (Table S4.xlsx)</p> <p>5. Summary of aerosol-induced variations of simulated shortwave and longwave radiative forcing at the bottom and top of atmosphere and in the atmosphere in Asia (Table S5.xlsx)</p> <p>.</p>
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Allen Brain Atlas
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International Brain Laboratory public data
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OpenNeuro
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