[1]杨理,潘亮,朱佳利,等.含杂质一维原子链热导Monte Carlo模拟[J].南京师大学报(自然科学版),2011,34(01):55-58.
　Yang Li,Pan Liang,Zhu Jiali,et al.Monte Carlo Simulation of Thermal Conduction in One-Dimensional Doped-Chains[J].Journal of Nanjing Normal University(Natural Science Edition),2011,34(01):55-58.
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含杂质一维原子链热导Monte Carlo模拟
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《南京师大学报（自然科学版）》[ISSN:1001-4616/CN:32-1239/N]

卷:
第34卷
期数:
2011年01期
页码:
55-58
栏目:
物理学
出版日期:
2011-03-20

文章信息/Info

Title:
Monte Carlo Simulation of Thermal Conduction in One-Dimensional Doped-Chains
作者:
杨理;潘亮;朱佳利;杨钰;刘红;
南京师范大学物理科学与技术学院, 江苏南京210046
Author(s):
Yang Li; Pan Liang; Zhu Jiali; Yang Yu; Liu Hong
School of Physics and Technology,Nanjing Normal University,Nanjing 210046,China
关键词:
一维原子链;  M onte Car lo;  杂质;  热导;  弹性碰撞
Keywords:
one-dim ensional cha in;  M onte C arlo;  doped-a tom;  the rma l conduction;  elastic co llision
分类号:
O551
摘要:
在弹性碰撞模型基础上,采用Monte Carlo随机抽样计算方法,并考虑局部温度控制局部碰撞顺序,我们研究掺杂对一维原子链热导的影响.对等质量一维原子链的热导模拟结果显示出一个非常稳定的平衡态,呈现出一个近似的温度梯度分布,满足Fourier定律.当链中含单个杂质时,杂质质量和位置都会使整个链的温度分布发生改变,杂质附近的温度振荡幅度最大,而且杂质质量相差越大,杂质附近的温度振荡幅度越大,杂质原子附近因巨大的热运动差异会导致断裂发生.链上原子质量无序分布时,无序度越大,高温端的端口处温度差越大,越容易发生
Abstract:
On the base o f the elastic collision m ode,l w e investigate the influence o f doping on the therm al conduction in one-d imensional cha in, by usingM onte Car lo stochastic samp ling num erical m ethod and consider ing the loca l co llid ing order contro lled by the stochastic sam pling according to the probab ility determ ined by the local temperature. The resu lts of simu la ting equa lm ass one-dim ensional cha in show s tha t its temperatu re profile presen ts a temperature g rad ient, and there is a steady equ ilibr ium sta te. It sa tisfies Fourier law. A fter doping a d ifferen t a tom in chain, the mass and po sition of the doped-a tom causes a fu lly diffe rentT - x pro file on who le chain. The amp litude of increasing temperature around the doped-atom slow ly increases w ith the increase o f the difference betw een doped-atom?? s m ass and cha in-atom?? sm ass. The m ass d ifference is larger and the osc illa ting amp litude of tem perature a round the doped-atom is large r. Thus enough la rge temperature d ifference causes the enough therm al dynam ic d ifference lead ing to break around doped- atom. When the distribution of m ass in cha in is in disorder, the results show tha t the deg ree of disorde r ism uch larger, the tem perature d ifference a t the left tip o f cha in is large r and it is easier to break. Furthermo re, when the disorder ?? is large r 1??0, them iddle part o f disorde r-chain still has a g rad ient linear distr ibution and satisfies Fourier law, although the tem perature o sc illation is much larg erw ith the increase of d iso rder degree.

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备注/Memo

备注/Memo:
基金项目: 国家自然科学基金( 10947004)、江苏省自然科学基金( BK2008427)、高等学校博士点基金( 200803190004) . 通讯联系人: 刘红, 博士, 副教授, 研究方向: 凝聚态物理. E-m ail:liuhong3@ njnu. edu. cn
更新日期/Last Update: 2013-04-11