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Molecular dynamics study on nano-sized wiredrawing: possible atomistic process and application to pearlitic steel wire

机译:纳米尺寸牵引的分子动力学研究:可能的原子工艺和珠光体钢丝的应用

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The process of nano-sized wiredrawing is investigated by using molecular dynamics (MD) simulation in this study. The authors have constructed novel computation models of wiredrawing, in which a single wire of just a several nanometers in diameter is smoothly drawn through a perfectly rigid die together with lubrication mechanism and is forced to be shaped into thinner one. Interatomic potentials used in MD simulation is a conventional pairwise type useable for iron-carbon binary system (for pearlitic steel). For MD model of pearlite steel wire, it is recognized that ferrite-cementite interface effectively offers high-speed diffusion path for carbon atoms from cementite side to ferrite side (elementary mechanism of cementite decomposition). As conclusion, we showed by using atomistic simulation that nano-sized wiredrawing process is theoretically quite possible.
机译:通过在本研究中使用分子动力学(MD)模拟来研究纳米大小的释放过程。作者构造了一种用途释放的新颖的计算模型,其中直径仅几纳米的单线通过完全刚性的模具与润滑机构一起平滑地拉伸,并且被迫成形为较薄的。 MD仿真中使用的间隙电位是用于铁 - 碳二元系统(用于珠光钢)的传统成对型。对于珠光体钢丝的MD模型,公认是铁氧体 - 渗碳石接口有效地为来自渗碳纤维侧的碳原子的高速扩散路径提供给铁氧体侧(渗碳石分解的基本机理)。总之,我们通过使用原子模拟来表明,纳米大小的牵引过程理论上是非常可能的。

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