排序方式: 共有23条查询结果,搜索用时 15 毫秒
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采用分子动力学方法和Quantum Sutton-Chen(QS-C)多体势,对液态金属铜(Cu)凝固过程中的晶体生长规律及纳米团簇微观结构转变特性进行了模拟跟踪研究.运用Honeycutt-Andersen(HA)键型指数法和新的原子团类型指数法(CTIM-2)分析了金属Cu原子的成键类型和原子团簇结构演变特性.结果发现:当以1.0×1013K/s速率凝固时,系统最终形成晶体和非晶体混合共存结构;在以4.0×1012K/s速度冷却时,系统从673K就开始结晶,并形成以1421和1422二种键型为主的晶体结构;面心立方(FCC)和六角密集(HCP)结构在形成晶体铜时起着非常重要的作用,尤其是由1421键型构成的面心立方(12 0 0 0 12 0)基本原子团在晶体生长和纳米团簇结构形成过程中占主导地位. 相似文献
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Towards understanding the carbon trapping mechanism in copper by investigating the carbon-vacancy interaction 下载免费PDF全文
We propose a vacancy trapping mechanism for carbon-vacancy (C-V) complex formation in copper (Cu) according to the first-principles calculations of the energetics and kinetics of C-V interaction. Vacancy reduces charge density in its vicinity to induce C nucleation. A monovacancy is capable of trapping as many as four C atoms to form CnV (n=1,2,3,4) complexes. A single C atom prefers to interact with neighboring Cu at a vacancy with a trapping energy of 0.21 eV. With multiple C atoms added, they are preferred to bind with each other to form covalent-like bonds despite of the metallic Cu environment. For the CnV complexes, C2V is the major one due to its lowest average trapping energy (1.31 eV). Kinetically, the formation of the CnV complexes can be ascribed to the vacancy mechanism due to the lower activation energy barrier and the larger diffusion coefficient of vacancy than those of the interstitial C. 相似文献
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导数火焰原子吸收光谱测定金属铜中微量银 总被引:4,自引:0,他引:4
提出了导数火焰原子吸收光谱测定金属铜中微量银的新方法,导数技术可使火焰原子吸收光谱的灵敏度提高21倍,用此法测定金属铜中微量银取得了满意效果。 相似文献
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增感效应导数火焰原子吸收光谱测定金属铜中微量铅 总被引:7,自引:0,他引:7
本文提出了增感效应导数火焰原子吸收光谱测定金属洞中微量铅的新方法,研究了基体铜对铜的增感效果,导数技术与增感效应相结合可使火焰原子吸收光谱的灵敏度提高17倍,用本法测定金属铜中的微量铅取得了满意效果 相似文献
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Yonggang Zheng Hongwu Zhang Zhen Chen 《Acta Mechanica Solida Sinica》2009,22(6):657-664
Based on molecular mechanics and the embedded-atom potential, the torsional mechanical behaviors of metallic copper nanosprings are investigated in this paper. The torsion coefficient of the nanospring is obtained by fitting the curve of potential energy versus torsion angle according to a parabolic law. It is found that the geometry of nanospring has a strong influence on the torsion coefficient. With the increase of the wire radius and the helix radius, the torsion coefficient of the nanospring increases. However, it decreases with the increase of the helix pitch and turns. It is also found that the classic spring theory is invalid to torsional nanosprings. The calculated torsion coefficient is higher than the predication from the classic spring theory and is lower than that of the corresponding solid rod. In addition, the continuum mechanics is shown to be inapplicable to describe the torsional behavior of nanosprings. These findings might provide a better understanding of the usability and functionality of nanosprings in nanodevices. 相似文献
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由于纳米材料独特的表面效应、电子效应及量子尺寸效应 ,已被广泛应用于各个领域 .有关纳米材料研究的报道很多 [1~ 7] ,大部分是关于纳米材料的制备[1~ 4 ] 及其特性研究 .对于纳米金属及纳米氧化物之间相互作用的研究迄今尚未见报道 .本文采用超声分散和机械研磨法物理混合纳米金属铜粉和纳米氧化锌 ,借助 EPR和 XPS技术对样品进行了表征 ,发现混合体系出现了 Cu2 + 的顺磁信号 ,Zn L3M4 5M4 5俄歇动能和 O1s的电子结合能亦发生了变化 ,表明纳米 Cu0 和纳米 Zn O之间存在相互作用 ,作用形式为 Cu— O—Zn.1 实验部分1 .1 样品… 相似文献