Jang Heung Woon, Hong Jung-Wuk
Department of Civil and Environmental Engineering, Korea Advanced Institute of Science and Technology, Daejeon 34141, Korea.
Materials (Basel). 2020 Apr 29;13(9):2062. doi: 10.3390/ma13092062.
The mechanical properties of copper alloys containing various ratios of zinc are evaluated using molecular dynamics (MD) simulations to determine the impact of the different zinc concentrations. The modified embedded atom method (MEAM) parameters for copper were established in the 1990s; however, the MEAM potential parameters for zinc, with an axial ratio >1, were recently proposed. In this research, the MD models of the copper alloys with various zinc contents are constructed using the MEAM potential parameters for zinc. Tensile test simulations are also conducted. The strain rate effects of the alloys are evaluated at four different strain rates, and the variations in the tensile strengths and Young's modulus are investigated. The proposed procedures have significant potential applicability for simulating a variety of zinc-containing alloys.
利用分子动力学（MD）模拟评估了含不同锌比例的铜合金的力学性能，以确定不同锌浓度的影响。铜的修正嵌入原子法（MEAM）参数于20世纪90年代确定；然而，最近提出了轴比大于1的锌的MEAM势参数。在本研究中，使用锌的MEAM势参数构建了不同锌含量的铜合金的MD模型。还进行了拉伸试验模拟。在四种不同应变速率下评估了合金的应变速率效应，并研究了抗拉强度和杨氏模量的变化。所提出的程序在模拟各种含锌合金方面具有显著的潜在适用性。
