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1.
固态金属中声子热传递的分子动力学模拟研究 总被引:2,自引:0,他引:2
固态金属中的热传递是声子和自由电子共同作用的结果。自由电子引起的热导率可以通过电导率,利用Wiedemann-Franz定律得到,声子引起的热导率目前仍然不能进行实验测量,只能借助其他方法来研究。本文采用非平衡分子动力学(NEMD)方法,用镶嵌原子方法(EAM)势能模型,模拟计算了不同厚度(1.760-10.56nm)金属镍薄膜中由于声子-声子作用引起的热导率。然后根据纳米厚度金属薄膜的热导率借助关联式推到宏观尺度下由于声子-声子作用引起的热导率。结果表明,对于纳米厚度金属薄膜,由于声子-声子作用引起的热导率比块体金属镍的热导率小一个数量级;薄膜厚度越小,声子-声子作用引起的热导率越小;对于块体金属镍,由于声子-声子作用引起的热导率约占其总热导率的33.0%左右。 相似文献
2.
Using Embedded-atom-method (EAM) potential of iron, structural stabilities of small Fe clusters on a Fe (1 1 0) surface have been investigated by molecular dynamics studies. It is presented that a tetramer and heptamer clusters are more stable than other sizes. These two clusters have high transition energies. They can be a critical nucleus at low and high temperature, respectively. A dimer diffuses more easily with lower energy barrier than single adatom. The trimer's rotation and dimer shearing mechanisms have been investigated in this paper. 相似文献
3.
Sub Hur Hodeok Jang Yonghoon Kim Hanlim Lee Seongtaek Hwang Yunje Oh Y. J. Sung Y. S. Kim Jichai Jeong 《Optical and Quantum Electronics》2007,39(7):561-569
We investigate the performance limits of a pico-cell system using the radio- over-fiber technique with an electroabsorption
modulator (EAM) in a 2.4 GHz wireless local area network (WLAN) environment. To understand the performance limits of the system
using an EAM as the optical transceiver, we vary the optical modulation index (OMI) of the transmitter for different bias
voltages to the EAM. Power margins in the links are found to estimate a possible service range, and packet loss rates (PLRs)
in the pico-cell system are measured to evaluate the transmission performance. The total service range can be extended up
to 3 m by adjusting the OMI of the transmitter for different applied bias voltages to the EAM. 相似文献
4.
Al1-XWX(x = 0.1, 0.2, 0.5, 0.9) powders have been prepared by mechanical alloying of the elements in a planetary ball mill. The structure
and morphology of the milled powders were investi gated using X-ray diffraction and electron microscopy. The solubility of
Al in W is greatly extended, even more than 50%. The results are analyzed using embedded atom method (EAM) according to the
scheme of mechanical alloying extending solid solubility. The theoretical results are in good agreement with the experimental 相似文献
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6.
本文主要应用嵌入原子势(EAM)和分子动力学方法对纳米单晶铝杆在外载荷作用下的原子滑移、位错等形变行为做一些现象分析和研究。发现在势能曲线有明显抖动的地方对应的时间步刚好有滑移产生,滑移机制在纳米铝杆塑性变形过程中起着非常重要的作用。 相似文献
7.
金属Cu熔化结晶过程的分子动力学模拟 总被引:3,自引:0,他引:3
采用常温、常压分子动力学模拟技术,研究了在周期性边界条件下,由864个Cu原子构成的模型系统的熔化、结晶过程。原子间相互作用势采用EAM势。模拟结果表明:在连续升温过程中,金属Cu在1520 K熔化;以不同的冷速进行冷却,在较慢冷却条件下,液态Cu在1010 K结晶;当冷速较快时,液态Cu形成非晶态。分析了升降温过程中熔体偶分布函数、原子体积、能量、MSD随温度的变化特征。 相似文献
8.
嵌入原子势在金属材料的结构及其物性的计算机模拟方面仍然有着重要的作用.针对面心立方结构的镍、铝及其合金,我们拟合了一种简单形式的嵌入原子势.势参数的拟合使用了相应材料的晶格常数,结合能、空位形成能以及三个弹性常数C_(11),C_(12),C_(44).除了一些高频部分的合理偏差之外,使用拟合的势参数得到的声子谱与实验结果符合良好.此外,得到的状态方程也与第一原理的理论结果很好地符合,说明了此嵌入原子势的可靠性. 相似文献
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10.
A new N-body potential and its application 总被引:1,自引:0,他引:1
Based on the embedded atom method (EAM) proposed by Daw and Baskes and Johnson's model, this paper constructs a new N-body
potential for bcc crystal Mo. The procedure of constructing the new N-body potential can be applied to other metals. The dislocation
emission from a crack tip has been simulated successfully using molecular dynamics method, the result is in good agreement
with the elastic solution.
The project supported by the National Science Foundation of China 相似文献