【摘要】：Cr-C體系材料是重要硬質防護涂層的代表,具有共晶特征.我們的前期工作指出,共晶合金滿足雙團簇近程序結構模型,由兩種穩(wěn)定液體亞單元構成,各自滿足理想非晶團簇成分式,這里的第一近鄰團簇來自相關共晶相.顯然共晶成分解析的關鍵在于獲得團簇,而相結構中往往存在多種團簇,進入到非晶/共晶團簇成分式的主團簇定義是關鍵環(huán)節(jié).本文通過應用Friedel振蕩理論及原子密堆,以團簇分布的球周期性及孤立度為判據,以Cr-C共晶相為例,進一步細化了共晶相中的主團簇選擇流程,再搭配以2,4或6個連接原子,獲得了描述共晶成分Cr_(86)C_(14)和Cr_(67.4)C_(32.6)的雙團簇成分式:[Cr-Cr_(14)+C-Cr_9]Cr C_3和[C-Cr_9+C-Cr_8]C_6,其中四種團簇分別來自共晶相Cr,Cr_(23)C_6,Cr_7C_3和Cr_3C_2.該工作進一步證實了團簇加連接原子模型在共晶點解析中的普適性,并從理論上支持了相關的材料設計.
[Abstract]:The Cr-C system material is the representative of the important hard protective coating, and has eutectic characteristics. Our previous work shows that the eutectic alloy satisfies the dual cluster near program structure model and consists of two stable liquid subunits, each of which satisfies the ideal amorphous cluster composition formula. The first nearest neighbor cluster comes from the related eutectic phase. It is obvious that the key to the analysis of eutectic composition is to obtain clusters, and there are often many clusters in the phase structure, so the definition of main clusters in the form of amorphous / eutectic clusters is a key step. In this paper, by using the Friedel oscillation theory and atomic dense stack, taking the spherical periodicity and isolation of cluster distribution as criteria, taking Cr-C eutectic phase as an example, the selection process of main cluster in eutectic phase is further refined, and the main cluster selection process in eutectic phase is further refined. The double cluster composition formulas describing eutectic compositions Cr86 C14 and Cr67.4 C32.6 have been obtained: [Cr-Cr14 C-Cr_9] CrC3 and [C-Cr_9 C-Cr_8] C6, four of which come from eutectic CrCr23 C6Cr7C3 and Cr3C2 respectively. This work further confirms the universality of the cluster plus join atom model in the analysis of eutectic points, and supports the related material design theoretically.
【作者單位】： 大連理工大學三束材料改性教育部重點實驗室;大連納晶科技有限公司;
【基金】：國家重點研發(fā)計劃(批準號:2016YFB0101206)資助的課題~~
【分類號】：O611
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本文編號：2155658