From experimental and atomistic simulation data to Calphad assessments (T01*)

Transfer项目T01n旨在使用CALPHAD优化器创建一个原型工作流，以使实验和模拟数据可用。该工作流程包括从实验室电子笔记本和皮龙数据库中过滤相关数据。我们将提出描述CALPHAD优化器中缺陷位相稳定性的概念，并将其与原子尺度的模拟进行比较。该项目将展示如何使数据易于供CALPHAD评估使用，并改善CALPHAD社区内的数据共享，而不是公开使用数据库。

Transfer project T01n aims to create a prototype workflow using Calphad Optimizer to make experimental and simulation data accessible. The workflow includes filtering relevant data from electronic laboratory notebooks and Pyiron databases. Concepts for describing defect phase stabilities in Calphad Optimizers will be developed and compared with simulations at atomic scale. The project will demonstrate how data can be made easily accessible for Calphad assessments and improve data sharing in the Calphad community beyond the public use of databases.