Mesoscopic phase transition of nanostructured materials: construction of computer experimental systems and synthesis and control of functional properties

Mesoscopic phase transition of nanostructured materials: construction of computer experimental systems and synthesis and control of functional properties
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纳米结构材料的介观相变:计算机实验系统的构建及功能特性的合成与控制

DOI:
10.1002/sia.1687
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发表时间:
2004
影响因子:
1.7
通讯作者:
Xing Zhu
Xing Zhu
中科院分区:
化学4区
文献类型:
--
作者:
Y. Yamazaki;H. Gleiter;K. Lu;Z. Ou;Xing Zhu

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讨论了纳米结构材料的介观相变和关键行为,以及计算机实验系统的设计以及功能特性的合成和控制。这里考虑的系统具有二维或三维结构、磁性或断裂特征,具有纳米尺寸的颗粒和界面。通过类 Lennard-Jones 势将相互作用考虑到第三个最近邻。研究了以下问题;如何研究纳米结构材料,如何计算亚稳态介观行为,以及如何通过蒙特卡罗方法构建合适的计算机实验系统。获得的数据以非平衡局部纳米结构特性的基本理论和计算结果的形式报告。版权所有 © 2004 约翰·威利父子有限公司
Mesoscopic phase transitions and critical behaviour of nanostructured materials are discussed, together with the design of computer experimental systems and the synthesis and control of functional properties. The systems considered here have either two or three‐dimensional structural, magnetic or fractured character with nanometre‐sized grains and interfaces. The interactions are taken into account up to the third nearest neighbour by means of Lennard–Jones‐like potentials. The following problems are studied; how to investigate nanostructured materials, how to compute the metastable mesoscopic behaviour, and how to construct suitable computer experimental systems by Monte‐Carlo methods. The data obtained are reported in the form of fundamental theoretical and computational results of non‐equilibrium, local nanostructural properties. Copyright © 2004 John Wiley & Sons, Ltd.