Do Hyeon-Seok, Lee Byeong-Joo
Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH), Pohang, 37673, Republic of Korea.
Sci Rep. 2018 Oct 30;8(1):16015. doi: 10.1038/s41598-018-34486-5.
Using molecular dynamics simulations, we characterized the generation and evolution of radiation-induced point defects in the CoCrFeMnNi high-entropy alloy (HEA), to compare it with pure Ni and pure Fe. The generation of primary point defects was investigated by a cascade simulation at 773 K and the evolution of point defect clusters by a defect evolution simulation using 1 at% defect-containing samples. The numbers of residual defects after cascade and surviving defects after evolution in the CoCrFeMnNi HEA are smaller than those in pure Ni and pure Fe. The defect clusters appearing in the CoCrFeMnNi HEA after the defect evolution are unstable because of the alloy complexity. The origin of the slower radiation damage accumulation and the higher radiation damage tolerance in the CoCrFeMnNi HEA is discussed.
通过分子动力学模拟，我们对CoCrFeMnNi高熵合金（HEA）中辐射诱导点缺陷的产生和演化进行了表征，以便与纯镍和纯铁进行比较。通过在773 K下的级联模拟研究了初级点缺陷的产生，并使用含1 at%缺陷的样品通过缺陷演化模拟研究了点缺陷团簇的演化。CoCrFeMnNi高熵合金中级联后的残余缺陷数量和演化后的存活缺陷数量均小于纯镍和纯铁中的数量。由于合金的复杂性，CoCrFeMnNi高熵合金在缺陷演化后出现的缺陷团簇是不稳定的。讨论了CoCrFeMnNi高熵合金中辐射损伤积累较慢和辐射损伤耐受性较高的原因。
