PDGPT: A large language model for acquiring phase diagram information in magnesium alloys

Abstract Magnesium alloys, known for their lightweight advantages, are increasingly in demand across a range of applications, from aerospace to the automotive industry. With rising requirements for strength and corrosion resistance, the development of new magnesium alloy systems has become critical....

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Main Authors: Zini Yan, Hongyu Liang, Jingya Wang, Hongbin Zhang, Alisson Kwiatkowski da Silva, Shiyu Liang, Ziyuan Rao, Xiaoqin Zeng
Format: Article
Language:English
Published: Wiley-VCH 2024-12-01
Series:Materials Genome Engineering Advances
Subjects:
Online Access:https://doi.org/10.1002/mgea.77
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author Zini Yan
Hongyu Liang
Jingya Wang
Hongbin Zhang
Alisson Kwiatkowski da Silva
Shiyu Liang
Ziyuan Rao
Xiaoqin Zeng
author_facet Zini Yan
Hongyu Liang
Jingya Wang
Hongbin Zhang
Alisson Kwiatkowski da Silva
Shiyu Liang
Ziyuan Rao
Xiaoqin Zeng
author_sort Zini Yan
collection DOAJ
description Abstract Magnesium alloys, known for their lightweight advantages, are increasingly in demand across a range of applications, from aerospace to the automotive industry. With rising requirements for strength and corrosion resistance, the development of new magnesium alloy systems has become critical. Phase diagrams play a crucial role in guiding the magnesium alloy design by providing key insights into phase stability, composition, and temperature ranges, enabling the optimization of alloy properties and processing conditions. However, accessing and interpreting phase diagram data with thermodynamic calculation software can be complex and time‐consuming, often requiring intricate calculations and iterative refinement based on thermodynamic models. To address this challenge, we introduce PDGPT, a ChatGPT‐based large language model designed to streamline the acquisition of magnesium alloys Phase Diagram information with high efficiency and accuracy. Enhanced by prompt‐engineering, supervised fine‐tuning and retrieval‐augmented generation, PDGPT leverages the predictive and reasoning capabilities of large language models along with computational phase diagram data. By combining large language models with traditional phase diagram research tools, PDGPT not only improves the accessibility of critical phase diagram information but also sets the stage for future advancements in applying large language models to materials science.
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institution Kabale University
issn 2940-9489
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language English
publishDate 2024-12-01
publisher Wiley-VCH
record_format Article
series Materials Genome Engineering Advances
spelling doaj-art-a773d498d6e34a4d869170a6f14c31e92025-01-13T15:15:31ZengWiley-VCHMaterials Genome Engineering Advances2940-94892940-94972024-12-0124n/an/a10.1002/mgea.77PDGPT: A large language model for acquiring phase diagram information in magnesium alloysZini Yan0Hongyu Liang1Jingya Wang2Hongbin Zhang3Alisson Kwiatkowski da Silva4Shiyu Liang5Ziyuan Rao6Xiaoqin Zeng7National Engineering Research Center of Light Alloy Net Forming School of Materials Science and Engineering Shanghai Jiao Tong University Shanghai ChinaJohn Hopcroft Center for Computer Science Shanghai Jiao Tong University Shanghai ChinaNational Engineering Research Center of Light Alloy Net Forming School of Materials Science and Engineering Shanghai Jiao Tong University Shanghai ChinaInstitut für Materialwissenschaft Technische Universität Darmstadt Darmstadt GermanyThermo‐Calc Software AB Stockholm SwedenJohn Hopcroft Center for Computer Science Shanghai Jiao Tong University Shanghai ChinaNational Engineering Research Center of Light Alloy Net Forming School of Materials Science and Engineering Shanghai Jiao Tong University Shanghai ChinaNational Engineering Research Center of Light Alloy Net Forming School of Materials Science and Engineering Shanghai Jiao Tong University Shanghai ChinaAbstract Magnesium alloys, known for their lightweight advantages, are increasingly in demand across a range of applications, from aerospace to the automotive industry. With rising requirements for strength and corrosion resistance, the development of new magnesium alloy systems has become critical. Phase diagrams play a crucial role in guiding the magnesium alloy design by providing key insights into phase stability, composition, and temperature ranges, enabling the optimization of alloy properties and processing conditions. However, accessing and interpreting phase diagram data with thermodynamic calculation software can be complex and time‐consuming, often requiring intricate calculations and iterative refinement based on thermodynamic models. To address this challenge, we introduce PDGPT, a ChatGPT‐based large language model designed to streamline the acquisition of magnesium alloys Phase Diagram information with high efficiency and accuracy. Enhanced by prompt‐engineering, supervised fine‐tuning and retrieval‐augmented generation, PDGPT leverages the predictive and reasoning capabilities of large language models along with computational phase diagram data. By combining large language models with traditional phase diagram research tools, PDGPT not only improves the accessibility of critical phase diagram information but also sets the stage for future advancements in applying large language models to materials science.https://doi.org/10.1002/mgea.77large language modelphase diagram predictionprompt‐engineeringretrieval‐augmented generationsupervised fine‐tuning
spellingShingle Zini Yan
Hongyu Liang
Jingya Wang
Hongbin Zhang
Alisson Kwiatkowski da Silva
Shiyu Liang
Ziyuan Rao
Xiaoqin Zeng
PDGPT: A large language model for acquiring phase diagram information in magnesium alloys
Materials Genome Engineering Advances
large language model
phase diagram prediction
prompt‐engineering
retrieval‐augmented generation
supervised fine‐tuning
title PDGPT: A large language model for acquiring phase diagram information in magnesium alloys
title_full PDGPT: A large language model for acquiring phase diagram information in magnesium alloys
title_fullStr PDGPT: A large language model for acquiring phase diagram information in magnesium alloys
title_full_unstemmed PDGPT: A large language model for acquiring phase diagram information in magnesium alloys
title_short PDGPT: A large language model for acquiring phase diagram information in magnesium alloys
title_sort pdgpt a large language model for acquiring phase diagram information in magnesium alloys
topic large language model
phase diagram prediction
prompt‐engineering
retrieval‐augmented generation
supervised fine‐tuning
url https://doi.org/10.1002/mgea.77
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