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纳米力学的数值模拟方法
引用本文:张田忠,郭万林.纳米力学的数值模拟方法[J].力学进展,2002,32(2):175-188.
作者姓名:张田忠  郭万林
作者单位:1. 西安交通大学机械结构强度与振动国家重点实验室,西安,710049;上海同济大学土木工程学院,上海,200092
2. 西安交通大学机械结构强度与振动国家重点实验室,西安,710049;南京航空航天大学飞机系,南京,210016
基金项目:国家杰出青年基金、长江学者计划,自然科学基金(10272068)资助项目
摘    要:纳米力学是一支新兴学科,主要研究100nm以下尺度上物质的行 为和变化规律.物质在纳米尺度上所具有的特殊效应如量子效应、微尺 度效应等导致了其特异的性能和行为.人们对纳米力学行为的认识,目 前主要通过试验观测和数值模拟等方法.本文概要回顾了分子动力学模 拟、蒙特卡罗模拟等纳米力学计算方法的研究进展及现状,提出了以 量子力学为基础、多学科交叉、多层次融合发展纳米力学研究方法的构 思,并对纳米力学研究方法所面临的问题及其发展趋势做了初步展望.

关 键 词:纳米科技  量子力学  纳米力学  分子动力学  蒙特卡罗模拟

RECENT ADVANCES OF NUMERICAL SIMULATION METHODS IN NANOMECHANICS
Zhang Tianzhong, Guo Wanlin, State Key Laboratory of Mechanical Structural Strength and Vibration,Xi'an Jiaotong University,Xi'an ,China Civil Engineering Insititute,Tongji University,Shanghai ,China.RECENT ADVANCES OF NUMERICAL SIMULATION METHODS IN NANOMECHANICS[J].Advances in Mechanics,2002,32(2):175-188.
Authors:Zhang Tianzhong  Guo Wanlin  State Key Laboratory of Mechanical Structural Strength and Vibration  Xi'an Jiaotong University  Xi'an  China Civil Engineering Insititute  Tongji University  Shanghai  China
Institution:Zhang Tianzhong1,2 Guo Wanlin1,31 State Key Laboratory of Mechanical Structural Strength and Vibration,Xi'an Jiaotong University,Xi'an 710049,China2 Civil Engineering Insititute,Tongji University,Shanghai 200092,China3 Department of Aircraft Engineer
Abstract:With the necessity of developments of modern science and technology, the size ofmicrostructure tends to a molecular scale and a new discipline of so called nanotechnology hasbeen founded. Nanomechanics is one of important branches of nanotechnology.The researchemphases are mainly placed on the behavior and variation of matters in nano-scale, and the effectsof these behavior and variation on the macro-properties of matters. There exist in nano-scalematters many special effects, such as quantum effect, micro-scale effect and so on. These specialeffects would result in related special properties and behaviors of matters. At present, the mainmethods to learn the nano-scale effects are numerical simulation and experimental investigation.In the present paper, recent advances of Molecular Dynamics and Monte Carlo simulations arereviewed; the interesting problems in nanomechanics and the trends of the numerical methods ofnanomechanics are discussed. Based on quantum mechanics, with hybridizing muti-discipline andconsidering the hierarchy of matters one may find a feasible way to develop some research methodsof nanomechanics.
Keywords:nanotechnology nanomechanics  molecular dynamics  Monte Carlo simulation
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