Applied Materials Today
ISSN: 2352-9407
Datasets associated with articles published in Applied Materials Today
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- Exploring Phononic Properties of Two-Dimensional Materials using Machine Learning Interatomic PotentialsIn this manual we provide a guide on the practical implementation and reproduction of the results presented in our publication entitled: "Exploring Phononic Properties of Two-Dimensional Materials using Machine Learning Interatomic Potentials". We specifically discuss the repository https://gitlab.com/ivannovikov/mlip_phonopy with the MLIP_PHONOPY code—a C++ interface between the MLIP code and the PHONOPY software—which allows one to calculate phonon spectra, group velocities, thermal properties, etc., of a two-dimensional material. Along with the repository description, this manual contains an instruction on quick installation of the stable branch of the MLIP code, a description of VASP input files for ab initio molecular dynamics (AIMD) calculations (namely, the folders Structures and VASP-inputs) and training set preparation, an instruction on passive training of MomentTensor Potentials (MTPs) using the MLIP code. Finaly, we describe the folders Untrained-MTPs and Exampleswith the additional files available here: http://dx.doi.org/10.17632/7ppcf7cs27.1.
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- Data for: Theoretical realization of two-dimensional M3(C6X6)2(M= Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X= O, S, Se) metal-organic frameworksThe energy minimized atomic lattices in the VASP POSCAR format and PAW potentials in the VASP POTCAR format
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- Data for: A digital twin for rapid qualification of 3D printed metallic componentsRaw data for plotting Figures 1 and 2
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- Data for: Hyperporous Carbon@3D Printed DevicesSTL file for the 3D printed device used in this work.
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- Data for: Development of Graphene Capped Silicon-Silicon oxide Core-Shell Nano-structure: Charge trapping characteristics at the InterfacesThis file contains supplementary data on X-RD, Raman data for different composites of graphene and Silicon nanocrystal. It contains I-V characteristics in dark for devices made with the composites.
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- Supplementary movies for PhD dissertation of S.J.P. Callens - Chapter 7Supplementary movies to the PhD dissertation "The curious case of curvature: geometric perspectives on biomaterial design", by Sebastien J.P. Callens at Delft University of Technology. These movies are corresponding to chapter 7.
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- Research data supporting "Aerosol-jet printing facilitates the rapid prototyping of microfluidic devices with versatile geometries and precise channel functionalization"The data is split into separate folders for each figure. Figure 1 Contains the raw SEM images used Figure 2 Has one excel file with the Mean and StdDev of each well imaged. ImageJ was used to obtain the data from the images. The raw images can be found in the two folders called Gradient Test Chip 1/2. These folders contain .tif stacks of the 8 well positions which can be read using ImageJ. Figure 3 Excel File Figure 3 A The first sheet has the data that was plotted The second sheet 'Combined Data' has the raw data from Dektak measuring of the different steps as well as the combined data from the rest of the sheets which are the raw dumps of the images Excel File Figure 3 C Has the full data of the measured slope as well as the section that was plotted for easy of viewing the results. Figure 4 The Stack file shows the solution being pushed through the device. This is where the image in Figure 4 was taken.
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- CCDC 1892047: Experimental Crystal Structure DeterminationRelated Article: Vijay Kumar Maka, Parag Tamuly, Swati Jindal, Jarugu Narasimha Moorthy|2020|Applied Materials Today|19|100613|doi:10.1016/j.apmt.2020.100613
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- CCDC 1892051: Experimental Crystal Structure DeterminationRelated Article: Vijay Kumar Maka, Parag Tamuly, Swati Jindal, Jarugu Narasimha Moorthy|2020|Applied Materials Today|19|100613|doi:10.1016/j.apmt.2020.100613
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- CCDC 2325941: Experimental Crystal Structure DeterminationAn entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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