首页> 外文会议>Fourth International Conference on Single Crystal Growth and Heat amp; Mass Transfer (ICSC - 2001) Vol.4; Sep 24-28, 2001; Obninsk, Russia >MOLECULAR DYNAMICS SIMULATION OF STRUCTURAL AND PHASE TRANSFORMATIONS AT SUPERHEATS OF THIN COPPER FILM FROM AMORPHOUS STATE
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MOLECULAR DYNAMICS SIMULATION OF STRUCTURAL AND PHASE TRANSFORMATIONS AT SUPERHEATS OF THIN COPPER FILM FROM AMORPHOUS STATE

机译:非晶态薄铜膜过热状态下结构和相变的分子动力学模拟

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摘要

The results of molecular dynamic simulation of linear heating of a thin amorphous copper film with speed 6.6·10~(11) K/s using of the embedded-atom method are represented. At the temperature interval 500/580 K a crystallization of a model with a derivation of twin structure having a FCC-lattice was observed. Melting of the model system occurred in an interval of temperatures 1160/1240 K. Energy of homogeneous derivation of a crystalline germ in amorphous copper film (~ 0.32 eV) is calculated, in the model of an activation energetic spectrum This work is maintained by the grant INTAS 973-1879.
机译:给出了利用嵌入原子法对速度为6.6·10〜(11)K / s的非晶态铜薄膜进行线性加热的分子动力学模拟结果。在500/580 K的温度区间,观察到具有FCC晶格的孪生结构衍生模型的结晶。模型系统的熔化发生在温度为1160/1240 K的间隔中。在活化能谱模型中,计算了非晶铜膜中结晶胚芽的均匀衍生能量(〜0.32 eV)。授予INTAS 973-1879。

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