Fig. 1 Commonly used microstructure modeling approaches and some cases.

Fig. 2 Integrated computational phase-field theory framework.

來自北京科技大學(xué)材料基因工程高精尖創(chuàng)新中心和中北大學(xué)的趙宇宏教授，從理解表征多層次結(jié)構(gòu)特點(diǎn)的序參量演化熱力學(xué)機(jī)制出發(fā)，針對(duì)具體金屬材料的冶煉、凝固、固溶時(shí)效、變形、工藝缺陷以及增材制造等，給出了研究方法和典型應(yīng)用案例，包含相場模擬與實(shí)驗(yàn)的交叉驗(yàn)證、微觀模擬耦合宏觀性能的本構(gòu)關(guān)系、集成其他計(jì)算模型/實(shí)驗(yàn)研究以及如何通過代理模型耦合機(jī)器學(xué)習(xí)等技術(shù)。

Fig. 3 Microstructure morphology of as-cast HEAs of Al and transition metals (Al-TM) HEAs.

同時(shí)簡要辨析了傅里葉譜方法、有限差分法、有限單元法等數(shù)值求解方法，旨在澄清當(dāng)前存在的對(duì)相場法和有限元法的性質(zhì)和功能的認(rèn)識(shí)誤區(qū)。該綜述還總結(jié)了當(dāng)前國內(nèi)外主要的商品化和開源相場軟件。最后提出了構(gòu)建多層次統(tǒng)一相場理論模型、集成多尺度計(jì)算方法與實(shí)驗(yàn)、開發(fā)高效且精確的數(shù)值算法的升級(jí)策略。趙宇宏教授對(duì)該領(lǐng)域的綜述有利于理解和促進(jìn)集成相場法在高性能材料設(shè)計(jì)-制造全流程中的一體化應(yīng)用。

Fig. 4 Comparison of dendrite morphology between simulation and experiment.

Understanding and design of metallic alloys guided by phase-field simulations

Yuhong Zhao 

Phase-field method (PFM) has become a mainstream computational method for predicting the evolution of nano and mesoscopic microstructures and properties during materials processes. The paper briefly reviews latest progresses in applying PFM to understanding the thermodynamic driving forces and mechanisms underlying microstructure evolution in metallic materials and related processes, including casting, aging, deformation, additive manufacturing, and defects, etc. Focus on designing alloys by integrating PFM with constitutive relations and machine learning. Several examples are presented to demonstrate the potential of integrated PFM in discovering new multi-scale phenomena and high-performance alloys. The article ends with prospects for promising research directions.