# The High-dimensional Phase Diagram and the Large CALPHAD Model

arXiv: https://arxiv.org/abs/2311.07174 · HTML: https://mlsanity.com/paper/2311.07174/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 0 of its 17 references that are in the map.
- First posted on arXiv 13 Nov 2023.

## Abstract (arXiv)

When alloy systems comprise more than three elements, the visualization of the entire phase space becomes not only daunting but is also accompanied by a data surge. Addressing this complexity, we delve into the FeNiCrMn alloy system and introduce the Large CALPHAD Model (LCM). The LCM acts as a computational conduit, capturing the entire phase space. Subsequently, this enormous data is systematically structured using a high-dimensional phase diagram, aided by hash tables and Depth-first Search (DFS), rendering it both digestible and programmatically accessible. Remarkably, the LCM boasts a 97% classification accuracy and a mean square error of 4.80*10-5 in phase volume prediction. Our methodology successfully delineates 51 unique phase spaces in the FeNiCrMn system, exemplifying its efficacy with the design of all 439 eutectic alloys. This pioneering methodology signifies a monumental shift in alloy design techniques or even multi-variable problems.