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2,960 results for “elements”
Automatic Featurization Aided Data-Driven Method for Estimating the Presence of Intermetallic Phase in Multi-Principal Element Alloys
<p><strong>Description:</strong></p> <p>There are two folders in the dataset:</p> <p><strong>(A. ) AutomaticFeaturizerMPEA.zip</strong> : </p> <p>AutomaticFeaturizerMPEA.pynb is an interactive computational environment developed in python programming language to compute the properties of Multi Principal-component Element Alloy (MPEA) system .</p> <p>The code present in the .ipynb file is capable of firstly extracting composition feature from the name of MPEA and then compute thermodynamic/physical and chemical properties using these composition features. The properties that can be automatically calculated and featurized by the code are: <br> 1. Valence Electron Concentration<br> 2. Average Melting Temperature<br> 3. Enthalpy of Mixing<br> 4. Entropy of Mixing<br> 5. Electronegativity<br> 6. Atomic size difference<br> 7. Omega parameter <br> 8. 41 elemental composition</p> <p>The primary source used for the calculation of these alloy properties are taken from two python libraries: "pymatgen" and "matminer". </p> <p>The AutomaticFeaturizerMPEA.pynb is not only capable of calculating an alloy's properties but also featurizes them along with the composition and export it as a .csv file for further machine learning training process. The AutomaticFeaturizerMPEA.pynb file consists of two parts:</p> <p>1. "Part 1": A sample set of 25 MPEAs is used to demonstarte how to calculate & featurize the porperties and composition of alloy, save the calculated values in a .csv file.<br> 2. "Part 2": The alloy property of a single MPEA "Ti0.8CoCrFeNiCu" is calculated using the same code, if one needs to calculate them for a single MPEA at a time (as in our GUI application IMCATHEA https://github.com/subediupadesh/IMCATHEA) </p> <p>The repository also consists two "CSV" files:</p> <p>1. "MPEA_data.csv" file is the sample set of 25 collected MEPA observations with their source and phase information in one hot encoding method for which we want to calculate their properties and featurize them.<br> 2. "Featurized_MPEA.csv" file is the processed ready to train file which consists of MPEA, their properties and composition featurized in special order. It is the final file generated by the AutomaticFeaturizerMPEA.pynb python file.</p> <p> </p> <p><strong>(B.) IMCATHEA.zip:</strong> </p> <p>IMCATHEA is a python based Graphical User Interface application capable of detecting the IM phase in a High Entropy Alloy or Multi Principal Element Alloy system using a Neural Network Algorithm.</p> <p>## For Linux User:<br> Python with following libraries are needed to run the GUI application: pymatgen (v2022.0.16), matminer (v0.7.4), tensorflow (v2.2.0), pandas (v1.3.4), numpy (v1.21.2), tkinter (v8.6), sklearn (v1.0.1).</p> <p>"IMCATHEA_GUI.py" also needs 4 extra supporitng files (icon, standardizations, and model) to operate, which will be made available from the author upon reasonable request. </p> <p><br> ## For Windows User:<br> Executable (.exe) file: </p> <p>User can run "IMCATHEA_GUI.exe" wihout any softwares to be installed.</p> <p><br> ## Procedure for using "IMCATHEA" GUI Application:</p> <p>Step 0. Open / Run "IMCATHEA_GUI.py" (for Linux users) & "IMCATHEA_GUI.exe" (for Windows users) file to open the GUI application</p> <p>Step 1. User need to select the No. of Elements/Components in the HEA where IM phase is to be detected, from the dropdown menu at the top left corner.<br> After selection of element size/number (from 2 to 10),<br> <br> Step 2. User can select each element of HEA, one at a time from the drop down menu generated just below "No. of Component" tab</p> <p>Step 3. After selection of each element a blank space is provided just at the right side of selected element tab where user need to enter the corresponding composition/elemental fraction of the element.</p> <p>Step 4. Repeat Step 2-3 until the last element of the HEA and it's composition/elemental fraction is entered.</p> <p>Step 5. Press "Detect IMC" tab to get the prediction if IM is present in the provided HEA or not along with the physical properties of the entered HEA displayed in the right side of the GUI application.</p> <p>Step 6. If user wants to detect the presence or absence of IM phase for another HEA, user can click on "Restart" tab at the right top side of GUI application to restart the application instantly.</p> <p><br> If the user makes errors while selecting any options from dropdown menu as suggested in Step 1,2,3,4 user can click on "Restart" tab at the right top side of GUI application to restart the application instantly and start the process for prediction again from Step 1.</p> <p>## Video (YouTube) Tutorial for using IMCATHEA:<br> The stepwise process to predict the phase for an example case of "CrNbTiZr" MPEA is shown in the YouTube video tutorial at: https://youtu.be/G3aHE1Wsmgk</p>
Input files for binding energy calculations in "Coupling finite and boundary element methods to solve the Poisson--Boltzmann equation for electrostatics in molecular solvation"
<p>Input files (meshes, pqr, cavities) for binding energy calculations in the manuscript "Coupling finite and boundary element methods to solve the Poisson--Boltzmann equation for electrostatics in molecular solvation" (preprint at https://arxiv.org/abs/2305.11886). This data set of molecular structures was originally proposed by Harris, R.C., Boschtisch, A.H., and Fenley, M.O., JCTC 9 (8) (2013) (<a href="https://doi.org/10.1021/ct300765w">https://doi.org/10.1021/ct300765w</a>). Scripts to generate results are available in https://github.com/MichalBosy/FEM_BEM_coupling/.</p>
The PLATINUM Clinical Trial to Assess the PROMUS Element Stent System for Treatment of Long De Novo Coronary Artery Lesions (PLATINUM LL)
ClinicalTrials.gov study NCT01500434. IPD Sharing: UNDECIDED. Countries: 7. Publications: 2.
The PLATINUM Clinical Trial to Assess the PROMUS Element Stent System for Treatment of De Novo Coronary Artery Lesions in Small Vessels
ClinicalTrials.gov study NCT01498692. IPD Sharing: UNDECIDED. Countries: 6. Publications: 2.
Prospective, Randomized, Multicenter Trial to Assess PROMUS™ Element™ Stent
ClinicalTrials.gov study NCT01285999. IPD Sharing: NO. Countries: 1. Publications: 1.
PROMUS Element Plus US Post-Approval Study
ClinicalTrials.gov study NCT01589978. IPD Sharing: Not stated. Countries: 1. Publications: 3.
Conduct Disorder in Prison: Search for Prospective and Retrospective Recurring and Contextual Elements
ClinicalTrials.gov study NCT02493088. IPD Sharing: Not stated. Countries: 1. Publications: 4.
Determination of Optimal Sleep Treatment Elements - MOST
ClinicalTrials.gov study NCT05561829. IPD Sharing: YES. Countries: 1. Publications: 46.
StrataGraft® Skin Tissue in the Promotion of Autologous Skin Regeneration of Complex Skin Defects Due to Thermal Burns That Contain Intact Dermal Elements
ClinicalTrials.gov study NCT03005106. IPD Sharing: NO. Countries: 1. Publications: 1.
Individualized Vestibular Rehabilitation for Elderly With Self-Management and Gaming Elements
ClinicalTrials.gov study NCT05436067. IPD Sharing: YES. Countries: 1. Publications: 2.
Safety and Immunogenicity of pDNA Vaccines Expressing HIV M Group p24^Gag Conserved Elements and/or p55^Gag, Administered With IL-12 pDNA
ClinicalTrials.gov study NCT03181789. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Zambia Common Elements Treatment Approach Pilot Study
ClinicalTrials.gov study NCT03966885. IPD Sharing: Not stated. Countries: 1. Publications: 2.
A Prospective, Multi-center Trial to Assess an Everolimus-Eluting Coronary Stent System (PROMUS Element™)
ClinicalTrials.gov study NCT00824434. IPD Sharing: Not stated. Countries: 4. Publications: 1.
The PLATINUM Clinical Trial to Assess the PROMUS Element Stent System for Treatment of De Novo Coronary Artery Lesions
ClinicalTrials.gov study NCT00823212. IPD Sharing: UNDECIDED. Countries: 17. Publications: 2.
Effect of Elemental Diet on Adult Patients With Eosinophilic Gastroenteritis
ClinicalTrials.gov study NCT03320369. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Buzz pollination: Investigations of pollen expulsion using the discrete element method data
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Data from: LHFPL5 is a key element to the gating spring of cochlear hair cells: comparison of mechanotransduction channel activation in presence or absence of LHFPL5
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Supplementary material: Ultraconserved elements improve the resolution of difficult nodes within the rapid radiation of neotropical sigmodontine rodents (Cricetidae: Sigmodontinae)
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Data for the article: Coupling of leaf elemental traits with root fungal community composition reveals a plant resource acquisition strategy in a desert ecosystem
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Data from: A phylogenomic perspective on the biogeography of skinks in the Plestiodon brevirostris group inferred from target enrichment of ultraconserved elements
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