搜索

x
中国物理学会期刊

数据驱动与机器学习辅助的铁电材料研究

Data-Driven and Machine Learning-Assisted Research on Ferroelectric Materials

PDF
导出引用
  • 随着传统半导体技术逐渐逼近其物理极限,铁电材料凭借可调控的自发极化特性,在下一代信息存储与神经形态计算器件中展现出广阔的应用前景。然而,材料性能优化与物理机制阐释仍是制约其发展的核心挑战。机器学习与数据科学的快速发展正推动铁电材料研究从经验试错向数据驱动的智能化范式转型。本文系统阐述了机器学习在铁电材料研究中的应用进展:基于高通量筛选、构效关系建模与物理信息融合,机器学习显著加速了新型铁电材料的发现与性能优化,实现了从成分设计到结构预测的系统性突破;结合机器学习势函数与物理信息增强的相场模型,多尺度计算模拟有效揭示了铁电相变与畴结构演化的微观机制,有助于弥合原子尺度模拟与宏观性能之间的认知鸿沟。最后,本文探讨了数据驱动方法与物理模型深度融合的潜在路径,并对功能材料智能化研发方向予以展望。

    As conventional semiconductor technology approaches its fundamental physical limits, ferroelectric materials, with their electrically switchable spontaneous polarization, have emerged as promising candidates for next-generation information storage and neuromorphic computing devices. However, optimizing material performance and elucidating the underlying physical mechanisms remain central challenges in this field. The rapid advances in machine learning and data science are driving a paradigm shift in ferroelectric materials research, transitioning from empirical trial-and-error approaches toward an intelligent, data-driven framework. This review systematically summarizes recent progress in the application of machine learning to ferroelectric materials research. Through high-throughput screening, structure-property relationship modeling, and physics-informed approaches, machine learning has significantly accelerated the discovery and performance optimization of novel ferroelectric materials, enabling systematic breakthroughs ranging from compositional design to crystal structure prediction. Furthermore, by integrating machine learning interatomic potentials with physics-enhanced phase-field models, multiscale computational simulations have effectively revealed the microscopic mechanisms governing ferroelectric phase transitions and domain structure evolution, helping to bridge the knowledge gap between atomistic-scale simulations and macroscopic properties. Finally, this article discusses potential pathways for the deep integration of data-driven methods with physical models, and provides an outlook on the future direction of intelligent research and development for functional materials.

    目录

    返回文章
    返回
    Baidu
    map