标题： 构建智能非晶合金设计的材料网络表示 显示英文标题

标题： Constructing material network representations for intelligent amorphous alloys design

摘要： 设计高性能的非晶合金在各种应用中具有挑战性。 但这一过程高度依赖经验法则和无限制的尝试。 传统策略的高成本和低效率特性阻碍了在庞大的材料空间中进行有效的采样。 在此，我们提出材料网络以加速二元和三元非晶合金的发现。 网络拓扑结构揭示了被传统表格数据表示所掩盖的隐藏材料候选。 通过仔细分析不同年份合成的非晶合金，我们构建了动态材料网络来追踪合金发现的历史。 我们发现过去设计的一些创新材料被编码在网络中，证明了它们在指导新合金设计方面的预测能力。 这些材料网络与我们日常生活中的一些现实世界网络表现出物理相似性。 我们的研究为智能材料设计开辟了一条新途径，特别是对于复杂合金而言。 显示英文摘要

摘要： Designing high-performance amorphous alloys is demanding for various applications. But this process intensively relies on empirical laws and unlimited attempts. The high-cost and low-efficiency nature of the traditional strategies prevents effective sampling in the enormous material space. Here, we propose material networks to accelerate the discovery of binary and ternary amorphous alloys. The network topologies reveal hidden material candidates that were obscured by traditional tabular data representations. By scrutinizing the amorphous alloys synthesized in different years, we construct dynamical material networks to track the history of the alloy discovery. We find that some innovative materials designed in the past were encoded in the networks, demonstrating their predictive power in guiding new alloy design. These material networks show physical similarities with several real-world networks in our daily lives. Our findings pave a new way for intelligent materials design, especially for complex alloys.