(1. 東北石油大學(xué) 機(jī)械科學(xué)與工程學(xué)院，大慶 163318；
2. 黑龍江省石油石化多相介質(zhì)處理及污染防治重點(diǎn)實驗室，大慶 163318)
摘 要: 采用電弧熔煉方法制備了FeCrNiCoCu及FeCrNiCoMn兩種高熵合金，借助第一性原理模擬計算及腐蝕電化學(xué)測試技術(shù)，研究Cu、Mn元素對制備高熵合金在3.5%NaCl、5%NaOH和0.5 mol/L H2SO4溶液中的電化學(xué)腐蝕行為的影響規(guī)律。結(jié)果表明：FeCrNiCoCu及FeCrNiCoMn高熵合金均為單一的FCC結(jié)構(gòu)，其中FeCrNiCoMn態(tài)密度達(dá)到最大值時對應(yīng)的能量較低，結(jié)構(gòu)更趨于穩(wěn)定，耐蝕傾向性好。FeCrNiCoMn高熵合金在三種溶液中的耐蝕性均高于FeCrNiCoCu的，這是由于Cu元素的存在會引起元素偏聚，降低了合金的耐蝕性。而Mn元素以金屬間化合物的形式存在，降低了合金中耐蝕性差的元素含量，提高了合金的耐蝕性。
關(guān)鍵字: 高熵合金；腐蝕；合金元素；第一性原理
（1. School of Mechanical Science and Engineering, Northeast Petroleum University, Daqing 163318, China;
2. Heilongjiang Key Laboratory of Petroleum and Petrochemical Multiphase Treatment and Pollution Prevention, Daqing 163318, China）
Abstract:FeCrNiCoCu and FeCrNiCoMn high-entropy alloys were prepared by means of arc melting. The first- principles simulation and corrosion electrochemical testing methods were used to investigate the effects of Cu and Mn elements on the corrosion resistance of FeCrNiCo high-entropy alloys in 3.5%NaCl, 5%NaOH and 0.5 mol/L H2SO4 solutions. The results show that FeCrNiCoCu and FeCrNiCoMn high-entropy alloys both exhibit single FCC structure. When the density of states of FeCrNiCoMn reaches its maximum, the corresponding energy is lower, the structure is more stable and the corrosion resistance tendency is decreased. The corrosion resistance of FeCrNiCoMn high entropy alloy in three solutions is higher than that of FeCrNiCoCu. The main reason is that the presence of Cu can aggravate element segregation and reduce the corrosion resistance of the alloy. However, Mn element exists in the form of an intermetallic compound, which reduces the content of poor corrosion resistance elements in the alloy, and the corrosion resistance of the alloy is improved.
Key words: high entropy alloy; corrosion; alloying elements; first principle
