
Illustrating stability within a convex hull phase diagram. Note …
Points lying on the hull (blue circles) indicate thermodynamically stable phases. Points lying above the hull are thermodynamically unstable with respect to phase separation. The boxed reactions...
Figure 1 Illustrating stability within a convex hull phase diagram. Note that for clarity, only ground-state phases at each composition are shown here. There could be many hypothetical non …
A critical examination of compound stability predictions from …
Jul 10, 2020 · In Fig. 8a, we plot a hypothetical convex hull phase diagram in blue, labeled “ground truth.”
The Open Quantum Materials Database - OQMD
This utility uses the qhull algorithm to create phase diagrams for arbitrary regions of phase space. Depending on the dimensionality of the requested phase diagram, different plots are made. 2 …
Phase Diagrams (PDs) | Materials Project Documentation
Figure 2 is an example of a calculated binary A-X phase diagram at 0 K and 0 atm. Binary phase diagrams show the complete convex hull for the system, where the y-axis is the formation …
Visualizing temperature-dependent phase stability in high …
Sep 24, 2021 · We use our proposed diagrams to visualize the transition of HEA solid-solutions from high-temperature stability to metastability upon quenching, and identify important …
Convex Hull Construction of Phase Diagrams | Peiwen Ren
Mar 17, 2023 · The convex hull is the smallest convex shape that can bound the Gibbs free energy curves. One can imagine pulling a string from below the Gibbs free energy curves. The …
Difference between Phase Diagram and Convex Hull
Aug 22, 2024 · A phase diagram views the difference in Gibbs free energy and is in principal a function $\Delta G = \Delta G (p,T,\{x_i\})$, where $\{x_i\}$ are concentrations of all competing …
Machine-Learning-Assisted Construction of Ternary Convex Hull Diagrams
Jan 25, 2024 · Convex hull diagrams of the Ag–Au (top) and Cu–Ag (bottom) binary systems. Each convex hull is defined by the lower black tie-lines, while the green-shadowed regions up …
Diagrams for finding stable compounds. The convex hull diagram …
The convex hull diagram denotes the relative energy (shown as a color map) of a composition with respect to the lowest energy boundary of other phases or linear combinations of those …
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