中文

高维可组合梯度设计的即时路径规划

计算物理 2025-03-14 v2 材料科学

摘要

功能梯度最近由于制造技术的进步而 experiencing an explosion in activity,其中 compositions can now be spatially varied on-the-fly during fabrication. In addition, modern computational thermodynamics has reached sufficient maturity -- with respect to property databases and the availability of commercial software -- that gradients can be designed with specific sets of properties. Despite these successes, there are practical limitations on the calculation speeds of these thermodynamic tools that make it intractable to model every element in an alloy. As a result, most path planning is carried out via surrogate models on simplified systems (e.g., approximating Inconel 718 as Ni59_{59}Cr23_{23}Fe18_{18} instead of Ni53_{53}Cr23_{23}Fe18_{18}Nb3_{3}Mo2_{2}Ti1_{1}). In this work, we demonstrate that this limitation can be overcome using a combination of on-the-fly sampling and a conjectured corollary of the lever rule for transformations of isothermal paths in arbitrary compositional dimensions. 我们 quantitatively benchmark the effectiveness of this new method and find that it can be as much as 106 times more efficient than surrogate modeling.

关键词

引用

@article{arxiv.2501.00012,
  title  = {On-the-Fly Path Planning for the Design of Compositional Gradients in High Dimensions},
  author = {Samuel Price and Zhaoxi Cao and Ian McCue},
  journal= {arXiv preprint arXiv:2501.00012},
  year   = {2025}
}

备注

28 pages, 9 figures, 3 supplementary figures, 1 table