- Group Leader, Structural Thermodynamics Group, Materials Evaluation Field, Research Center for Structural Materials
- DXMag Principal Investigator, Data-driven Materials Design Group, Digital Transformation Initiative Center for Magnetic Materials, Research Center for Magnetic and Spintronic Materials
- Address
- 305-0047 1-2-1 Sengen Tsukuba Ibaraki JAPAN [Access]
Accepting Students
External affiliations
- Inst. Science Tokyo, Lab. for Zero-Carbon energy, visiting Professor
Research
- Keywords
CALPHAD method, Computational thermodynamics, Phase diagrams
PublicationsNIMS affiliated publications since 2004.
Research papers
- Taichi Abe, Kwangsik Han, Yumi Goto, Ikuo Ohnuma, Toshiyuki Koyama. Stabilization of Equiatomic Solutions Due to High-Entropy Effect. MATERIALS TRANSACTIONS. 64 [4] (2023) MT-M2022167 10.2320/matertrans.mt-m2022167 Open Access
- Masanori Enoki, Satoshi Minamoto, Ikuo Ohnuma, Taichi Abe, Hiroshi Ohtani. Current Status and Future Scope of Phase Diagram Studies. ISIJ International. 63 [3] (2023) ISIJINT-2022-408 10.2355/isijinternational.isijint-2022-408 Open Access
- Taichi Abe, Masao Morishita, Ying Chen, Arkapol Saengdeejing, Kiyoshi Hashimoto, Yoshinao Kobayashi, Ikuo Ohnuma, Toshiyuki Koyama, Satoshi Hirosawa. Development of a prototype thermodynamic database for Nd-Fe-B permanent magnets. Science and Technology of Advanced Materials. 22 [1] (2021) 557-570 10.1080/14686996.2021.1936627 Open Access
Books
- 阿部 太一. 計算状態図入門. 計算状態図入門. 内田老鶴甫, 2024, 232.
- 阿部 太一. 材料設計計算工学 計算熱力学編 増補新版. 内田老鶴圃, 2019, 224.
- 阿部 太一. TDB ファイル作成で学ぶ カルファド法による状態図計算. , 2015, -.
Proceedings
- ABE, Taichi, CENKKOCER, SAWADA, Kota, TODA, Yoshiaki. Combined ab initio–CALPHAD analysis of the Z phase stability in high Cr steels. Proceedings of 3rd Symposium on Heat Resistant Steels and Alloys. (2009) 1-9
Presentations
- ABE, Taichi, 澤田 由紀子, GOTO, Yumi, ANDO, Yuki, 廣瀬 清実. Computational phase diagram database of binary and multicomponent systems. ICCT2023. 2023
- ABE, Taichi, HAN, Kwangsik, OHNUMA, Ikuo, GOTO, Yumi, 小山敏幸. Phase equilibria in High-entropy alloys. HEA International workshop. 2023
- Bo Sundman, ABE, Taichi, Qing Chen, Shuanglin Chen, Nathalie Dupin, Bengt Hallstedt, Aurelie Jacob, Ursula Kattner, Lina Kjellqvist, Fabio Miani, Reza Naraghi, Richard Otis, Alexander Pisch, Erwin Povoden-Karadeniz, Malin Selleby, Floian Tang, Axel van de Wall, Fan Zhang. A proposal of an XML based format for Calphad databases. CALPHAD2024 (51st International Conference on Computer Coupling of Phase Diagrams and Thermochemistry). 2024
Misc
- 阿部 太一. 二元系状態図研究の変遷. まてりあ. 65 [1] (2026) 50-56 10.2320/materia.65.50
- Taichi Abe, Masato Shimono, Kiyoshi Hashimoto, Cenk Kocer. Gibbs energy functions with the vacancy complexes in the Al-Cu binary system. Data in Brief. 21 (2018) 432-440 10.1016/j.dib.2018.09.092 Open Access
- 阿部 太一. 再び計算熱力学に関連する書籍から. 金属. (2020) 245-247
Published patent applications
Society memberships
日本金属学会, 日本鉄鋼協会, 合金状態図研究会, 日本熱測定学会
Research Center for Structural Materials
CALPHAD-based thermodynamic assessment and database construction
CALPHAD, Computational Thermodynamics, Phase equilibria
Overview
We are constructing phase diagram databases that calculate phase equilibria and thermodynamic quantities ranging from unary systems to practical multicomponent systems by evaluating the Gibbs energy of each phase using the CALPHAD method. Furthermore, we are advancing the modeling of crystal defects (such as onovacancies and divacancies), developing diverse thermodynamic calculation techniques including magnetic transitions and grain boundary phase equilibria and diversifying data provision formats through the digitization of phase diagrams.
Novelty and originality
Evaluated Gibbs energy datasets are critically assessed and provided in formats compatible with various thermodynamic calculation software. Compiling approximately 700 alloy systems.
Developed a proprietary digital phase diagram database to diversify phase diagram data formats and support data-driven materials science.
Advanced thermodynamic modeling techniques by incorporating complex lattice defects into Gibbs energy functions to analyze phase equilibria.
Details
We have released the Computational Phase Diagram Database (CPDDB) and its digitized counterpart, Digital-CPDDB, on MatNavi. These databases house phase diagram data for approximately 700 systems, ranging from unary to multicomponent systems. Building upon these binary phase diagram datasets, we are actively constructing multicomponent databases. Examples currently under development include Ni-based superalloys (Ni-Al-Co-Cr-Ti+x), Nd-based permanent magnets (Nd-Fe-B-Co-Cu-Dy-Al-Ga and Nd-Fe-B-Cu-O-C-Dy), solder materials, high-entropy alloys, and next-generation ultra-high-temperature MoSiBTiC alloys. Because these databases compile the Gibbs energy data for each individual phase, they enable the calculation and analysis of phase equilibria during actual manufacturing processes of practical materials, providing valuable insights for optimizing processing parameters and microstructures.
Summary
The development of multicomponent phase diagram databases significantly enhances the contribution of phase equilibria research to practical materials development. Expert-assessed Gibbs energy functions are expected to gain even greater value as high-quality training and high-throughput data sources for data-driven materials engineering.
