Clarification of Local Atomic Arrangements of Metallic Glasses by Plastic Crystal Model and Fabrication of New Bulk Metallic Glasses

通过塑料晶体模型阐明金属玻璃的局域原子排列以及新型块状金属玻璃的制造

• 批准号: 21560715
• 负责人: TAKEUCHI Akira
• 金额: $ 2.75万
• 依托单位: Tohoku University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2009
• 资助国家: 日本
• 起止时间: 2009 至 2011
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-21560715/
• 关键词: アモルファス材料; 金属ガラス; 柔粘性結晶; 分子動力学シミュレーション; バルク金属ガラス; 高エントロピー合金; ユナイテッドアトム; 合金組成図; 周期律表; 結晶構造; 金属間化合物; 局所原子構造; 高エントロピーバルク金属ガラス; 等原子分率; 合金開発; 黄金分割; パーコレーション; 粘性; ガーネット構造

The present study dealt with molecular dynamics (MD)simulations to analyze the atomic-scale structure of metallic glasses and the development of a new bulk metallic glass (BMG). A MD simulation model by referring to a plastic crystal was performed where the plastic crystal is known as an intermediate phase between a liquid and solid phase in a class of molecular materials. Simulation results revealed that BMGs possess critically-percolated, cluster-packed structure. Furthermore, considerations of the simulation results make it possible to produce a high-entropy bulk metallic glass with a critical diameter of 10 mm in a Pd_20Pt_20Cu_20Ni_20P_20 alloy as a new type of bulk metallic glass.

本研究涉及分子动力学（MD）模拟，以分析金属玻璃的原子尺度结构和新的散装金属玻璃（BMG）的发展。在一类分子材料中，塑料晶体被称为液相和固相之间的中间相，通过指代塑料晶体进行了MD仿真模型。仿真结果表明，BMG具有批判性渗透的聚集结构。此外，对仿真结果的考虑使得在PD_20PT_20PTO_20CU_20NI_20P_20合金中产生高透射式金属玻璃，其临界直径为10 mm，作为一种新型的散装金属玻璃。

项目成果

Molecular Dynamics Simulations of Critically Percolated, Ciuster-Pack tructure in Zr-Al-Ni Bulk Metallic Glass

Zr-Al-Ni 块体金属玻璃中临界渗流 Ciuster-Pack 结构的分子动力学模拟

• 发表时间: 2010
• 期刊: Journal of Materials Research
• 影响因子: 2.7
• 作者: Pattanayak DK;Fukuda A;Matsushita T;Takemoto M;Fujibayashi S;Sasaki K;Nishida N;Nakamura T;Kokubo T;A.Takeuchi
• 通讯作者: A.Takeuchi

Physical Properties of Ternary Amorphous Alloys, Phase Diagrams and Physical Properties of Nonequilibrium Alloys, Systems from Cr-Fe-P to Si-W-Zr

三元非晶合金的物理性能、非平衡合金的相图和物理性能、从 Cr-Fe-P 到 Si-W-Zr 的体系

• 发表时间: 2011
• 作者: Hozoji;M.;Kimura;Y.;Kioka;N.;and Ueda;K.;H.Nuga;A.Takeuchi
• 通讯作者: A.Takeuchi

Mixing enthalpy of liquid phase calculated by miedema's scheme and approximated with sub-regular solution model for assessing forming ability of amorphous and glassy alloys

• DOI: 10.1016/j.intermet.2010.06.003
• 发表时间: 2010-09-01
• 期刊: INTERMETALLICS
• 影响因子: 4.4
• 作者: Takeuchi, A.;Inoue, A.
• 通讯作者: Inoue, A.

Critically-Percolated Cluster-Packed Structure in Zr-Al-Ni Bulk Metallic Glass Created with Molecular Dynamics Simulations Based on Plastic Crystal Model

基于塑性晶体模型的分子动力学模拟创建 Zr-Al-Ni 大块金属玻璃中的临界渗流簇堆积结构

• 发表时间: 2009
• 作者: S. Murakami;K. Itoh;L.J. Zheng;J.W. Van Dam;and A. Fukuyama;A.Takeuchi
• 通讯作者: A.Takeuchi

High Entropy State of Orientationally-Disordered Clusters in Zr-Based Bulk Metallic Glass

锆基块体金属玻璃中定向无序团簇的高熵态

• 发表时间: 2010
• 期刊: Prog. Mat. Sci.
• 作者: A. Takeuchi;M. Ogata and A. Inoue
• 通讯作者: M. Ogata and A. Inoue