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11 results for “High-entropy alloys”
Example of reverse Monte Carlo simulation for fcc high-entropy alloy CrMnFeCoNi
<p>The data set contains the example of reverse Monte Carlo (RMC) simulation of EXAFS spectra collected for fcc high-entropy alloy CrMnFeCoNi.</p> <p>The simulation was performed by the EvAX code freely available from http://www.dragon.lv/evax/. </p> <p> </p>
Small dataset machine-learning approach for efficient design space exploration: engineering ZnTe-based high-entropy alloys for water splitting
<p>Atomic structure data used in the research article entitled "Small Dataset Machine-Learning Approaches to Explore the Design Space of High-Entropy Alloys: Engineering ZnTe-based Multicomponent Alloys for the Photo-Splitting of Water"</p>
Alloy Sustainability Database - Evaluating the Economic, Environmental, and Societal Impacts of High-Entropy Alloys
<p>This database encompasses 18 elements and details over 400 high entropy alloys (HEAs), Ni-based superalloys, and steels, providing an extensive review of their properties and capabilities. To assess the broader implications of these materials, we have developed nine indicators that evaluate their economic, environmental, and human health impacts. Each indicator is meticulously described, including the methods used for their calculation. This data has been compiled with the goal of integrating considerations of societal impact into the alloy design process, thereby promoting the development of materials that are not only innovative but also socially responsible.</p>
Data for "Competition between phase ordering and phase segregation in the Ti$_x$NbMoTaW and Ti$_x$VNbMoTaW refractory high-entropy alloys"
<p>Data associated with the arXiv preprint: "Competition between phase ordering and phase segregation in the Ti$_x$NbMoTaW and Ti$_x$VNbMoTaW refractory high-entropy alloys". Version 2 corrects an error in the files associated with fitted atom-atom interaction energies.</p>
Data for "Structure, short-range order, and phase stability of the Al$_x$CrFeCoNi high-entropy alloy: Insights from a perturbative, DFT-based analysis"
<p>Data associated with "Structure, short-range order, and phase stability of the AlxCrFeCoNi high-entropy alloy: Insights from a perturbative, DFT-based analysis", published in npj Comput. Mater. <strong>10</strong>, 271 (2024).</p>
Data for a publication "Microstructure and mechanical properties of in-situ SiO2-reinforced mechanically alloyed CoCrFeNiMnX (X= 5, 20, 35 at.%) high-entropy alloys"
<p>Dataset contains data that has been used within the manuscript entitled: "Microstructure and mechanical properties of in-situ SiO2-reinforced mechanically alloyed CoCrFeNiMnX (X= 5, 20, 35 at.%) high-entropy alloys". For more information, please read the README.txt file.</p>
Microstructure and mechanical properties of mechanically-alloyed CoCrFeNi high-entropy alloys using low ball-to-powder ratio
<p>The main issue of this work was to analyse the microstructural evolution and mechanical properties of FCC high entropy alloy (HEA) when BPR (ball-to-powder ratio) was limited to 5:1. The motivation of our work is to increase the amount of milled fraction without losing efficiency of the milling process. Nowadays many papers describe HEAs by using powder metallurgy processes, but higher BPR is used. In consequence less amount of powder is milled in one period and the process is not effective enough from the industrial point of view.</p> <p>In this work four equiatomic CoCrFeNi samples were made by Mechanical Alloying plus Spark Plasma Sintering using different milling times: 10, 20, 30, 40 hours. We used 200 Φ5 mm WC balls and milled with intervals 15:15 minutes. Milling speed was 250 rpm. After the mechanical alloying has been finished samples were sintered by using Spark Plasma Sintering technique. We chose 950 °C as a process temperature with heating rate 100 °C/min. Sintering pressure was 50 MPa. Samples were then homogenise in 1050 °C for 12 hours. Then samples were water quenched.</p> <p>The densification of samples during sintering was in satisfied level, what was confirmed by relative densities of samples (>90 %) The microstructure observation of sintered samples revealed Cr-rich particles evenly distributed in samples volume. The number of particles decreases with increasing the milling time. Elements are randomly distributed in the matrix phase except a small Cr-depletion. XRD technique shows multiple FCC structure. As the milling time exceeds, the main FCC structure is promoted. Microhardness increased as a function of milling time. After annealing microstructures were almost out of Cr-rich phase. Only the biggest particles remained. EBSD revealed the grain size decrement as a function of milling time. Also X-ray diffractograms presented significant homogenisation of manufactured samples. Despite the microhardness decrease after heat treatment, the longest milled sample still possess very promising properties. Moreover hardness of samples is not indent’s size dependent (micro- and nanohardness).</p> <p>During milling time the particles are joining and fracturing many times. As a consequence elements are mixing and promoting the new phase(s) growing. We deduced that Hall-Petch effect is the most important factor determining better mechanical properties in longer milled samples. However the milling process need to be improvement. Cr-rich phase observed in sintered samples is the effect of low efficiency of the process, which might be improved by either smaller fraction of Cr at the beginning (premilling process) or increase the other process parameters (milling speed, sintering time).</p>
Supplementary material for "Shock-induced spallation in a nanocrystalline high-entropy alloy: An atomistic study"
<p>Data provided in this upload:</p> <ul> <li>Pictures and tables from "Shock-induced spallation in a nanocrystalline high-entropy alloy: An atomistic study" paper</li> <li>Excel-Charts used to create the graphs and tables</li> <li>Vzz data files from our dump files extracted using OVITO used to calculate the SWVs (position datapoints are the crucial part)</li> <li>The potential used for our simulations</li> <li>Readme with the following information: <ul> <li>Crucial parameters used in our simulations</li> <li>Captions of all the figures and tables used in order</li> <li>Additional information in regards to shock wave velocities (SWV) and their calculation, plus the necessary values</li> </ul> </li> </ul>
Raw Data for Evidence for Isotropic s-Wave Superconductivity in High-Entropy Alloys
<p>Raw Data for the paper "Evidence for Isotropic s-Wave Superconductivity in High-Entropy Alloys".</p>
Partial liquid metal dealloying to synthesize nickel-containing porous and composite ferrous and high-entropy alloys
<p>Raw data for the graphs in the article.</p>
Supplementary data: "Challenges in automated high-throughput ab initio thermodynamics of magnetic high-entropy alloys"
<p>These supplementary data contain input and output files of EMTO density-functional theory (DFT) calculations and IPython/Jupyter notebooks that were used in analyzing the data for the paper "Challenges in automated high-throughput ab initio thermodynamics of magnetic high-entropy alloys".</p> <p>The data are organized as follows:</p> <ul> <li><em>alloy_discovery</em> folder contains the analysis notebooks and the processed EMTO DFT output data in a h5 database. <ul> <li>An installation of Python and Jupyter notebooks is required to run the notebooks. A recommended way of installing them is the Anaconda Python distribution: https://www.anaconda.com/download/</li> <li>It is recommended to first run the Requirements notebook, which checks what Python dependencies are needed to be downloaded.</li> <li>DFT output data is stored as an HDF5 database is located in the <em>results</em> subfolder.</li> <li>Figures generated with the notebooks are located in the <em>figures </em>subfolder.</li> </ul> </li> <li><em>output_files </em>folder contains raw output files of EMTO DFT calculations.</li> <li><em>input_files </em>folder contains raw input files that were used in the EMTO DFT calculations.</li> </ul>
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