公募シンポジウム講演

[S8] New Materials Science on Nanoscale Structures and Functions of Crystal Defect Cores, V（2）

多くの先進材料において、材料内部に存在する点欠陥や粒界、界面、転位等の結晶欠陥が、機能発現の起源となっている。したがって、結晶欠陥を高度に制御し、その機能を最大限に引き出すことができれば、材料研究における大きなブレークスルーとなると期待できる。また、近年のナノ計測技術や理論計算における分解能や精度の著しい進歩により、結晶欠陥の電子・原子レベル構造とそこに局所する機能に関する新規な知見が次々と得られるようになってきた。この流れを受け、結晶欠陥の特異な機能と各種外場との相互作用に着目し、令和元年から新学術領域「機能コアの材料科学」が立ち上がっている。関連するシンポジウムである本「機能コアの材料科学 V」では、機能コアに関する最新の研究成果を議論し、今後の課題と方向性について意見交換する場としたい。

Thu. Sep 19, 2024 1:30 PM - 4:10 PM Room F (B118 1st floor Building B Center for Education in Liberal Arts and Sciences)

座長:横井達矢(名古屋大学)、中村篤智(大阪大学)

※表示の講演時間には質疑応答時間も含みます。
（質疑応答時間5分、基調講演と招待講演は5～10分）

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1:30 PM - 2:10 PM

[S8.24] [Keynote Lecture] Synthesis of Novel Solid State Materials by Ultra-High-Pressure Process

*Ken NIWA¹, Takuya SASAKI¹, Masashi HASEGAWA¹ (1. Nagoya University)

2:10 PM - 2:25 PM

[S8.25] High-pressure synthesis, crystal structure, and photoluminescence properties of novel (Sr,Ca)AlB₃O₇:Eu²⁺ phosphors

*Takuya SASAKI¹, Kanta SUGIURA¹, Ken NIWA¹, Masashi HASEGAWA¹ (1. Nagoya Univ.)

2:25 PM - 2:40 PM

[S8.26] Global crystal structure predictions at high pressures using machine learning potentials

*Hayato WAKAI¹, Atsuto SEKO², Isao TANAKA² (1. Graduate School of Engineering, Kyoto University, 2. Graduate School of Engineering, Kyoto University)

break (2:40 PM - 3:00 PM)

3:00 PM - 3:20 PM

[S8.27] Machine-learning descriptor and interatomic potential for accurately predicting properties of lattice defects

*Masami UCHIDA¹, Tatsuya YOKOI², Yu OGURA², Katsuyuki MATSUNAGA^2,3 (1. 名大工(院生)、2. 名大工、3. JFCC)

3:20 PM - 3:40 PM

[S8.28] Theoretical Analysis of Atomic Structures of Dicarboxylate Molecule Incorporated Calcium Phosphate Crystals Based on First-principles Calculations

*Nao SUSAKI¹, Tatsuya YOKOI², Yu OGURA², Katsuyuki MATSUNAGA^2,3 (1. 名大工(院生)、2. 名大工、3. JFCC)

3:40 PM - 3:55 PM

[S8.29] First-Principles Study on Hydrogen Behaviors in Si Grain Boundaries

*Ibuki Miyamoto¹, Shin Kiyohara², Soungmin Bae², Yu Kumagai² (1. School of Engineering, Tohoku University, 2. Institute for Materials Research, Tohoku University)

3:55 PM - 4:10 PM

[S8.30] Quantitative Evaluation of Nuclear Quantum Effects on Proton Diffusivity in Oxides

*Shunya YAMADA¹, Kansei KANAYAMA¹, Kazuaki TOYOURA¹ (1. 京大)

Session information

[S8] New Materials Science on Nanoscale Structures and Functions of Crystal Defect Cores, V（2）

[S8.24] [Keynote Lecture] Synthesis of Novel Solid State Materials by Ultra-High-Pressure Process

[S8.25] High-pressure synthesis, crystal structure, and photoluminescence properties of novel (Sr,Ca)AlB₃O₇:Eu²⁺ phosphors

[S8.26] Global crystal structure predictions at high pressures using machine learning potentials

[S8.27] Machine-learning descriptor and interatomic potential for accurately predicting properties of lattice defects

[S8.28] Theoretical Analysis of Atomic Structures of Dicarboxylate Molecule Incorporated Calcium Phosphate Crystals Based on First-principles Calculations

[S8.29] First-Principles Study on Hydrogen Behaviors in Si Grain Boundaries

[S8.30] Quantitative Evaluation of Nuclear Quantum Effects on Proton Diffusivity in Oxides

Authentication

Session information

[S8] New Materials Science on Nanoscale Structures and Functions of Crystal Defect Cores, V（2）

[S8.24] [Keynote Lecture] Synthesis of Novel Solid State Materials by Ultra-High-Pressure Process

[S8.25] High-pressure synthesis, crystal structure, and photoluminescence properties of novel (Sr,Ca)AlB3O7:Eu2+ phosphors

[S8.26] Global crystal structure predictions at high pressures using machine learning potentials

[S8.27] Machine-learning descriptor and interatomic potential for accurately predicting properties of lattice defects

[S8.28] Theoretical Analysis of Atomic Structures of Dicarboxylate Molecule Incorporated Calcium Phosphate Crystals Based on First-principles Calculations

[S8.29] First-Principles Study on Hydrogen Behaviors in Si Grain Boundaries

[S8.30] Quantitative Evaluation of Nuclear Quantum Effects on Proton Diffusivity in Oxides

Authentication

[S8.25] High-pressure synthesis, crystal structure, and photoluminescence properties of novel (Sr,Ca)AlB₃O₇:Eu²⁺ phosphors