GBClaw: An agentic AI framework for atomistic grain boundary research and mechanistic discovery

Yazhuo Liu, Kunqing Ding, Xiaoguo Gong, Zifeng Wang, Yichen Yang, Yifeng Che, Wen Chen, Josh Kacher · 2026 · arXiv

DOI: 10.48550/arXiv.2610.28629 · open-access PDF

Abstract

Agentic artificial intelligence (AI) systems hold immense potential for automating complex workflows in materials discovery and design, but extending them to domain-intensive mechanistic investigations remains challenging. Here, we present GBClaw, an agentic AI framework for investigating the structure and deformation of general grain boundaries (GBs). Although general GBs constitute the vast majority of real-world interfaces in polycrystalline materials, they remain understudied because their structural complexity and interfacial mismatch complicate experimental and modeling research. GBClaw

Read in: English · Spanish · Chinese · Hindi · Arabic · Portuguese · French · German · Japanese · Russian · Korean · Indonesian · Vietnamese

Is this paper real? This page was built from OpenAlex and arXiv records, not generated. Software can verify any reference in one call: GET https://store.agentexchange.work/gw/papers/verify?title=...&year=... (0.003 USD), fetch this record as JSON with /gw/papers/paper?id=2610.28629, or list what it cites with /gw/papers/references?id=.... Pay per call in USDC (x402) or with a 19 USD card key for 1,000 calls. Catalogue · llms.txt

Sources: OpenAlex (CC0), arXiv, Crossref. Agent Exchange