Phase & Property Data for the NbCrVWZr Alloy System

<h4><strong>General Information</strong></h4> <p>This dataset contains a comprehensive collection of properties, compositions, and phase predictions for alloys from a simplicial grid sampling of the NbCrVWZr quinary alloy system with a spacing of 0.05 mole fraction. The dataset is structured to facilitate analysis of predicted material properties and phase stability for corresponding alloy compositions. Each row corresponds to a unique alloy composition.</p> <h4><strong>Column Descriptions</strong></h4> <ol> <li> <p><strong>umap0, umap1</strong>:<br>2D coordinates obtained from Uniform Manifold Approximation and Projection (UMAP), used for dimensionality reduction and visualizing the high-dimensional alloy composition space.</p> </li> <li> <p><strong>Nb, Cr, V, W, Zr</strong>:<br>Elemental mole fractions for Niobium (Nb), Chromium (Cr), Vanadium (V), Tungsten (W), and Zirconium (Zr) in the alloy</p> </li> <li> <p><strong>PROP LT (K)</strong>:<br>Liquidus temperature (LT) in Kelvin computed by ThermoCalc</p> </li> <li> <p><strong>PROP ST (K)</strong>:<br>Solidus temperature (ST) in Kelvin computed by ThermoCalc</p> </li> <li> <p><strong>PROP 500C CTE (1/K)</strong>, <strong>PROP 1000C CTE (1/K)</strong>, <strong>PROP 1500C CTE (1/K)</strong>:<br>Coefficients of thermal expansion (CTE) at 500&deg;C, 1000&deg;C, and 1500&deg;C, reported in reciprocal Kelvin</p> </li> <li> <p><strong>EQ 1273K THCD (W/mK)</strong>, <strong>EQ 1523K THCD (W/mK)</strong>, etc.:<br>Thermal conductivity (THCD) in W/(m&middot;K) computed during equilibrium calculations by ThermoCalc at various temperatures (e.g., 1273K, 1523K).</p> </li> <li> <p><strong>EQ 1273K Density (g/cc)</strong>, <strong>EQ 1523K Density (g/cc)</strong>, etc.:<br>Density in g/cm&sup3; computed during equilibrium calculations by ThermoCalc at the respective temperatures.</p> </li> <li> <p><strong>EQ 1273K MAX BCC</strong>, <strong>EQ 1273K SUM BCC</strong>, etc.:</p> <ul> <li><strong>MAX BCC</strong>: Mole fraction of the most abundant body-centered cubic (BCC) phase predicted for the alloy at the specified temperature, predicted with ThermoCalc</li> <li><strong>SUM BCC</strong>: Total mole fraction of all BCC phases predicted at the specified temperature, predicted with ThermoCalc</li> </ul> </li> <li> <p><strong>EQ 2/3*ST THCD (W/mK)</strong>, <strong>EQ 2/3*ST Density (g/cc)</strong>:<br>Thermal conductivity and density computed at two-thirds of the ThermoCalc-predicted solidus temperature.</p> </li> <li> <p><strong>Pugh_Ratio_PRIOR</strong>:<br>Rule of mixture estimate of Pugh's ratio (ratio of bulk modulus to shear modulus)</p> </li> <li> <p><strong>YS 1000C PRIOR</strong>, <strong>YS 1500C PRIOR</strong>:<br>Yield strength (YS) at 1000&deg;C and 1500&deg;C, predicted using the strength model by Maresca and Curtin</p> </li> <li><strong>Single BCC</strong>:<br>Indicates whether a single BCC phase is predicted (1 for yes, 0 for no) from below Scheil ST down to 1000&deg;C</li> <li> <p><strong>SCHEIL ST, SCHEIL LT:</strong></p> <ul> <li><strong>SCHEIL ST</strong>: Solidus temperature derived from Scheil-Gulliver solidification simulations</li> <li><strong>SCHEIL LT</strong>: Liquidus temperature derived from Scheil-Gulliver solidification simulations</li> </ul> </li> <li> <p><strong>Kou Criteria</strong>, <strong>Kou Criteria Normalized</strong>:<br>Values related to the Kou criteria, which predict susceptibility to solidification cracking. Predicted with ThermoCalc Scheil simulations.</p> </li> <li> <p><strong>SCHEIL BCC_B2</strong>, <strong>SCHEIL BCC_B2#2</strong>, <strong>SCHEIL MAX BCC</strong>:</p> <ul> <li><strong>MAX BCC</strong>: Fraction of the most abundant BCC phase predicted from Scheil simulations</li> <li><strong>BCC_B2</strong>: Prediction of the ordered BCC (B2) phase fraction from Scheil simulations</li> <li><strong>SCHEIL BCC_B2#2</strong>: <ul> <li>This refers to a&nbsp;<strong>secondary BCC&nbsp;</strong>structure predicted by ThermoCalc during the solidification process using Scheil simulation</li> <li>The #2 suffix indicates that this is not the primary BCC phase but another distinct composition set, potentially representing A miscibility gap within the BCC phase</li> </ul> </li> </ul> </li> <li> <p><strong>composition_string</strong>:<br>A string representation of the alloy composition</p> </li> <li> <p><strong>Creep Merit</strong>:</p> <ul> <li>Creep merit index, computed at 2000 degrees Celcius, with units of second per square meter [s m^-2]</li> </ul> </li> <li> <p><strong>25/500/1000/1300/1500/2000 Min Creep [VG/NH/CB/PL5] [1/s]</strong>:</p> <ul> <li>Minimum creep rates at various temperatures (in Celcius), measured in strain per second [1/s]</li> <li><strong>VG</strong>: Viscous Glide (Jaswon-Cottrell) creep model</li> <li><strong>NH</strong>: Nabarro-Herring creep model</li> <li><strong>CB</strong>: Coble creep model</li> <li><strong>PL5</strong>: Power-law creep with n=5</li> </ul> </li> </ol>