Large Language Model‐Informed Dual‐Track AI Framework for the Synergistic Design of Crack‐Free and High‐Strength Superalloys

Laser Powder Bed Fusion of high performance nickel-based superalloys is a transformative technology hindered by acute hot-cracking susceptibility and prohibitively expensive process optimization cycles. Traditional data-driven AI models often suffer from "black-box" limitations and severe data scarcity. Here, we propose a knowledge-informed hybrid AI framework that integrates Large Language Models (LLMs) as reasoning agents to bridge metallurgical expertise with autonomous discovery. By operationalizing empirical heuristics (e.g., Al/Ti ratio correlations), the LLM facilitated rapid heuristic pruning, compressing the initial search space of 76 800 candidates by >95%. Subsequently, LLM-distilled process priors were injected into a reinforcement learning (RL) agent, enabling a "warm-start" optimization that achieved safety-constrained exploration in physically risky regimes. The resulting AMN01 alloy achieved crack-free printability with a breakthrough yield strength exceeding 1.5 GPa and an ultimate tensile strength near 1.8 GPa in the direct-aged state. Following solution-aging treatment, the alloy maintained a UTS over 1.6 GPa with an exceptional elongation of over 15%. Multi-scale characterization revealed a multi-tier strengthening architecture involving nanoscale cellular dislocation networks, γ' precipitation, and deformation-induced Lomer-Cottrell locks. This framework establishes a generalizable paradigm for accelerated material discovery in high-cost, data-scarce engineering environments.

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Publication Details

Journal
Advanced Science
Published
2026-06-09
DOI
https://doi.org/10.1002/advs.76036
Primary Topic
Additive Manufacturing Materials and Processes
Type
article
Field-Weighted Citation Impact
0.00

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article

Large Language Model‐Informed Dual‐Track AI Framework for the Synergistic Design of Crack‐Free and High‐Strength Superalloys

J Wu, Fuzhu Wang, Liu Y, Jian Yao et al.
Advanced Science
Additive Manufacturing Materials and Processes
article

Large Language Model‐Informed Dual‐Track AI Framework for the Synergistic Design of Crack‐Free and High‐Strength Superalloys

J Wu, Fuzhu Wang, Liu Y, Jian Yao, Feng Liu, Lan Huang, Liming Tan, Jie Su, Li Wang, Zi Wang
article en

Abstract

Laser Powder Bed Fusion of high performance nickel-based superalloys is a transformative technology hindered by acute hot-cracking susceptibility and prohibitively expensive process optimization cycles. Traditional data-driven AI models often suffer from "black-box" limitations and severe data scarcity. Here, we propose a knowledge-informed hybrid AI framework that integrates Large Language Models (LLMs) as reasoning agents to bridge metallurgical expertise with autonomous discovery. By operationalizing empirical heuristics (e.g., Al/Ti ratio correlations), the LLM facilitated rapid heuristic pruning, compressing the initial search space of 76 800 candidates by >95%. Subsequently, LLM-distilled process priors were injected into a reinforcement learning (RL) agent, enabling a "warm-start" optimization that achieved safety-constrained exploration in physically risky regimes. The resulting AMN01 alloy achieved crack-free printability with a breakthrough yield strength exceeding 1.5 GPa and an ultimate tensile strength near 1.8 GPa in the direct-aged state. Following solution-aging treatment, the alloy maintained a UTS over 1.6 GPa with an exceptional elongation of over 15%. Multi-scale characterization revealed a multi-tier strengthening architecture involving nanoscale cellular dislocation networks, γ' precipitation, and deformation-induced Lomer-Cottrell locks. This framework establishes a generalizable paradigm for accelerated material discovery in high-cost, data-scarce engineering environments.

Advanced Science
Central South University (CN)
National Natural Science Foundation of China
Industry, innovation and infrastructure
Openalex Percentile: Top 11%
Additive Manufacturing Materials and Processes
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Large Language Model‐Informed Dual‐Track AI Framework for the Synergistic Design of Crack‐Free and High‐Strength Superalloys — J Wu, Fuzhu Wang, et al. · Advanced Science (2026) | TGRS Research Map | TGRS