COMPUTATIONAL MATERIALS

巩桐兆

Tongzhao Gong

副研究员中国科学院金属研究所

材料人工智能研究部

以相场方法、热力学计算与机器学习，
研究多组元合金组织形成、演化与调控

凝固理论相场模拟机器学习合金设计

代表性成果研究方向

简介

About

巩桐兆现任中国科学院金属研究所材料人工智能研究部副研究员，兼任中国科学技术大学材料科学与工程学院硕士生导师。

研究聚焦合金组织的形成、演化与调控，围绕枝晶生长与组织选择、溶质再分配与微观偏析，以及多组元体系的高效预测开展工作。结合相场方法、热力学计算与机器学习，并通过原位、实时实验进行对照，发展用于揭示组织演化机制和指导组织调控的计算方法。相关研究涉及轴承钢、高温合金和核用结构材料等。

科研项目

重点新材料研发及应用国家科技重大专项
中国科学院先导专项
国家自然科学基金青年科学基金项目
辽宁省自然科学基金面上项目
中国博士后科学基金特别资助

研究方向

Research Interests

研究组织演化的物理机制，发展面向工程合金的组织预测与调控方法。

枝晶生长与凝固组织选择

科学问题: 形核条件、晶体取向与对流，如何共同影响枝晶生长和晶粒竞争？
研究方法: 将定量相场与原位、实时观测相结合，分析枝晶早期生长、晶粒相互作用及定向凝固中的组织选择。
已有认识: 通过不同形核条件与取向下的生长研究，建立枝晶动力学与组织演化之间的联系。

J. Alloys Compd. · 2024 Comput. Mater. Sci. · 2023

溶质再分配与微观偏析

科学问题: 凝固中的扩散与溶质再分配，如何决定枝晶间的偏析和残余液相？
研究方法: 耦合热力学计算、定量相场与一维扩散模型，追踪固液两相中的溶质演化，并与合金实验数据进行对照。
已有认识: 建立与材料属性相联系的微观偏析模型，改善对凝固过程中溶质再分配的描述。

Acta Metall. Sin. (Engl. Lett.) · 2025 J. Mater. Sci. Technol. · 2021

多组元合金凝固的高效预测与组织调控

科学问题: 如何兼顾多组元体系的热力学描述、计算效率与凝固组织预测？
研究方法: 用神经网络预测准平衡热力学数据，将其嵌入相场求解器；结合组织与偏析分析，研究合金凝固及一次碳化物调控。
已有认识: 建立机器学习加速的多组元相场框架，并通过钢中碳扩散研究提出抑制一次碳化物的潜在路径。

J. Mater. Res. Technol. · 2026 J. Mater. Sci. Technol. · 2024

研究方法与材料

Methods & Materials

计算方法

相场
CALPHAD
机器学习
第一性原理
分子动力学

编程语言

C++
Python
MATLAB

关注材料

轴承钢
高温合金
核用结构材料

论文

Publications

代表性成果

SELECTED WORK

MACHINE LEARNING × PHASE FIELD

让多组元凝固模拟更高效

多组元相场计算中，反复求解准平衡热力学方程是重要的计算开销。

以神经网络预测热力学数据并嵌入相场求解器，形成机器学习加速框架；在 Ni–Cr–Al 与 Al–Zn–Mg–Cu–Zr 体系中检验组织演化与偏析预测。

Computational Materials Science · 2025 Journal of Materials Research and Technology · 2026

SOLUTE REDISTRIBUTION

从扩散机制建立微观偏析模型

凝固末期的溶质再分配，需要超越经典模型的简化描述。

结合 Fe–C 定量相场与一维扩散计算，将模型参数与材料属性联系起来，并与多种合金实验数据对照。

Acta Metallurgica Sinica (English Letters) · 2025

MICROSTRUCTURE CONTROL

探索抑制一次碳化物的扩散路径

富碳残液与析出驱动力，如何共同影响钢中一次碳化物形成？

多相场模拟表明，提高固／液碳扩散率比可同时减少富碳残液和析出驱动力，为碳化物调控提供潜在路径。

Journal of Materials Science & Technology · 2024

论文目录

2026

Harnessing the role of cobalt (Co) on austenite reversion for ultrafine-grained maraging steels

Zhenyu Wang, Kan Ma, Bowen Shi, Yuanfei Su, Tongzhao Gong, Xianbo Shi, Quanqiang Shi, Wei Wang, Wei Yan

合作

Scripta Materialia, 276: 117193

doi.org/10.1016/j.scriptamat.2026.117193
2026

Machine learning based phase-field simulation framework for multi-component alloy solidification

Tongzhao Gong, Weiye Hao, Yun Chen, Bolv Xiao, Xing-Qiu Chen, Dianzhong Li

一作共同通讯

Journal of Materials Research and Technology, 41: 4343–4355

doi.org/10.1016/j.jmrt.2026.02.066
2026

Solute plume formation and dendrite selection under natural convection during directional solidification of superalloy: Large-scale quantitative phase-field study

Weiye Hao, Tongzhao Gong, Yun Chen, Xing-Qiu Chen

合作

Journal of Materials Research and Technology, 45: 2039–2053

doi.org/10.1016/j.jmrt.2026.09.217
2026

The “blackout zone” in alloy directional solidification: Impairing columnar dendrite selection and growth as revealed by phase-field simulations

Weiye Hao, Tongzhao Gong, Zhengguo Xu, Tai Guo, Yun Chen, Xingang Liu, Xing-Qiu Chen, Dianzhong Li

合作

Journal of Materials Science & Technology, 261: 58–71

doi.org/10.1016/j.jmst.2025.09.068
2025

Accelerating phase-field simulation of multi-component alloy solidification by shallow artificial neural network

Tongzhao Gong, Weiye Hao, Weiqi Fan, Yun Chen, Xing-Qiu Chen, Dianzhong Li

一作共同通讯

Computational Materials Science, 248: 113594

doi.org/10.1016/j.commatsci.2024.113594
2025

Effect of Cu on microstructure and tensile property of an Al-modified Ni-based superalloy

Shuting Cao, Tongzhao Gong, Shaohua Zhang, Jian Zhang

合作

Materials Science and Engineering: A, 927: 147985

doi.org/10.1016/j.msea.2025.147985
2025

Modelling Microsegregation of Binary Alloy During Solidification

Tongzhao Gong, Shuting Cao, Weiye Hao, Weiqi Fan, Yun Chen, Xing-Qiu Chen, Dianzhong Li

一作通讯

Acta Metallurgica Sinica (English Letters), 38(9): 1628–1636

doi.org/10.1007/s40195-025-01884-4
2025

Solidification of a nickel-based superalloy containing copper: A study combined with experiment and phase-field simulation

Shuting Cao, Tongzhao Gong, Shaohua Zhang, Jian Zhang, Yun Chen, Xing-Qiu Chen, Dianzhong Li

共同通讯

Journal of Alloys and Compounds, 1020: 179477

doi.org/10.1016/j.jallcom.2025.179477
2025

The atomic formation mechanism of GP zones in Al-Cu alloys: Insights from cluster expansion coupled with Monte Carlo simulation

Weiqi Fan, Tongzhao Gong, Weiye Hao, Yun Chen, Xing-Qiu Chen

合作

Computational Materials Science, 252: 113798

doi.org/10.1016/j.commatsci.2025.113798
2024

Cu含量对K4061合金显微组织和拉伸性能的影响

Shuting Cao, Jian Zhao, Tongzhao Gong, Shaohua Zhang, Jian Zhang

合作

金属学报, 60(9): 1179–1188

doi.org/10.11900/0412.1961.2022.00427
2024

Flame-retardant mechanism for platinum coating of nickel-based superalloy

Shuting Cao, Jian Zhao, Tongzhao Gong, Shaohua Zhang, Jian Zhang

合作

Journal of Alloys and Compounds, 1002: 175317

doi.org/10.1016/j.jallcom.2024.175317
2024

Inhibiting primary carbide in steel by diffusion: A perspective of phase-field study

Tongzhao Gong, Weiye Hao, Weiqi Fan, Yun Chen, Xing-Qiu Chen, Dianzhong Li

一作通讯

Journal of Materials Science & Technology, 202: 50–54

doi.org/10.1016/j.jmst.2024.03.032
2024

Nucleation-dependent early growth of dendritic grains in Al-Cu alloys: The real-time observations and large-scale phase-field simulations

Tongzhao Gong, Yun Chen, Dianzhong Li, Weiye Hao, Weiqi Fan, Guillaume Reinhart, Yanfei Cao, Xing-Qiu Chen, Henri Nguyen-Thi

一作

Journal of Alloys and Compounds, 1006: 176259

doi.org/10.1016/j.jallcom.2024.176259
2024

Selective microzone remelting to reduce and refine the coarse primary carbides in high-carbon alloy steels

Weiye Hao, Yun Chen, Chaohui Deng, Tongzhao Gong, Weiqi Fan, Yi Guo, Xing-Qiu Chen, Dianzhong Li

合作

Journal of Materials Processing Technology, 331: 118512

doi.org/10.1016/j.jmatprotec.2024.118512
2024

Temperature gradient mechanism in the heterogeneous nucleation of inoculated alloy: A quantitative phase-field study

Weiye Hao, Tongzhao Gong, Yun Chen, Weiqi Fan, Xing-Qiu Chen

合作

Materials Today Communications, 41: 110701

doi.org/10.1016/j.mtcomm.2024.110701
2023

Equiaxed growth of interacting Al–Cu dendrites in thin samples: a phase-field study at copper concentrations relevant for practical applications

Tong Zhao Gong, Ahmed Kaci Boukellal, Yun Chen, Jean-Marc Debierre

一作

Comptes Rendus. Mécanique, 351(S2): 233–247

doi.org/10.5802/crmeca.145
2023

Modeling Segregation of Fe–C Alloy in Solidification by Phase-Field Method Coupled with Thermodynamics

Tong-Zhao Gong, Yun Chen, Wei-Ye Hao, Xing-Qiu Chen, Dian-Zhong Li

一作

Metals, 13(6): 1148

doi.org/10.3390/met13061148
2023

Scaling law for growth of misoriented equiaxed Al-Cu dendrites: A phase-field study with in situ experiment validation

Tongzhao Gong, Yun Chen, Xing-Qiu Chen, Dianzhong Li, Guillaume Reinhart, Henri Nguyen-Thi, Jean-Marc Debierre

一作

Computational Materials Science, 226: 112238

doi.org/10.1016/j.commatsci.2023.112238
2023

高纯稀土对M50钢液析碳化物的影响

Chaohui Deng, Yun Chen, Tongzhao Gong, Chuang Xu, Xingqiu Chen, Paixian Fu, Dianzhong Li

合作

材料研究学报, 37(12): 915–923

doi.org/10.11901/1005.3093.2022.677
2022

Ab initio study of local structures during cooling of liquid Fe-C and Fe-Cr-C alloys

Chuang Xu, Yun Chen, Tongzhao Gong, Yongpeng Shi, Jiantao Wang, Xing-qiu Chen, Peitao Liu, Yi Guo, Dianzhong Li

合作

Computational Materials Science, 212: 111572

doi.org/10.1016/j.commatsci.2022.111572
2022

冷速对高碳铬轴承钢液析碳化物凝固析出机制的影响

Shanshan Li, Yun Chen, Tongzhao Gong, Xingqiu Chen, Paixian Fu, Dianzhong Li

合作

金属学报, 58(8): 1024–1034

doi.org/10.11900/0412.1961.2021.00024
2021

Equiaxed dendritic growth in nearly isothermal conditions: A study combining in situ and real-time experiment with large-scale phase-field simulation

Tongzhao Gong, Yun Chen, Shanshan Li, Yanfei Cao, Liyuan Hou, Dianzhong Li, Xing-Qiu Chen, Guillaume Reinhart, Henri Nguyen-Thi

一作

Materials Today Communications, 28: 102467

doi.org/10.1016/j.mtcomm.2021.102467
2021

Revisiting dynamics and models of microsegregation during polycrystalline solidification of binary alloy

Tongzhao Gong, Yun Chen, Shanshan Li, Yanfei Cao, Dianzhong Li, Xing-Qiu Chen, Guillaume Reinhart, Henri Nguyen-Thi

一作

Journal of Materials Science & Technology, 74: 155–167

doi.org/10.1016/j.jmst.2020.09.038
2019

Quantitative comparison of dendritic growth under forced flow between 2D and 3D phase-field simulation

Tong Zhao Gong, Yun Chen, Dian Zhong Li, Yan Fei Cao, Pai Xian Fu

一作

International Journal of Heat and Mass Transfer, 135: 262–273

doi.org/10.1016/j.ijheatmasstransfer.2019.01.104
2018

Fast simulations of a large number of crystals growth in centimeter-scale during alloy solidification via nonlinearly preconditioned quantitative phase-field formula

Tong Zhao Gong, Yun Chen, Yan Fei Cao, Xiu Hong Kang, Dian Zhong Li

一作

Computational Materials Science, 147: 338–352

doi.org/10.1016/j.commatsci.2018.02.003
2018

The Diffusion and Solid-Liquid Phase Transformation in Directional Solidification of Alloy: A Quantitative Phase Field Characterization and Real-Time Observation

Yun Chen, Na Min Xiao, Dian Zhong Li, Tong Zhao Gong, Henri Nguyen-Thi

合作

Diffusion Foundations, 15: 97–127

doi.org/10.4028/www.scientific.net/df.15.97
2017

Modeling of coupled motion and growth interaction of equiaxed dendritic crystals in a binary alloy during solidification

Xin Bo Qi, Yun Chen, Xiu Hong Kang, Dian Zhong Li, Tong Zhao Gong

合作

Scientific Reports, 7(1): 45770

doi.org/10.1038/srep45770

联系方式

Contact

欢迎围绕合金凝固、相场建模、微观偏析与机器学习开展学术交流。

巩桐兆 / Tongzhao Gong

中国科学院金属研究所 · 材料人工智能研究部
Shenyang National Laboratory for Materials Science,
Institute of Metal Research, Chinese Academy of Sciences,
辽宁省沈阳市沈河区文化路72号

邮箱：tzgong15s@imr.ac.cn

ORCID 0000-0001-5371-9850 ↗