论文标题
随机系统的订单参数工程
Order Parameter Engineering for Random Systems
论文作者
论文摘要
晶体材料中的化学短距离顺序（CSRO）在多组分材料的背景下影响了性质及其效果尤为重要。我们为CSRO参数或$ \ mathrm {δ-} $参数提出了一个方案，就多组分系统中的类似和键而言而言。 opera或$ \ bf {o} $ rder $ \ bf {p} $ arameter $ \ bf {e} $ ngineering for $ \ bf {ra} $ ndom Systems Segends of to and osememble和canonical and and canonical Systems Schemion均提议提议。所提出的框架提供了一个高通量方案，用于根据$ \ mathrm {δ-} $参数来探索CSRO。我们演示了$ \ mathrm {δ-} $参数用于描述多组分合金和氧化物中的CSRO（FCC-Cocrni，BCC-Monbtaw和（Cocumgnizn）O）。我们表明，$ \ mathrm {δ-} $参数不仅继承了沃伦 - 库利订单参数的优点，而且还解决了其局限性。标量数量的$ \ mathrm {δ-} $参数可以代表化学顺序，并且Opera框架可以处理半典型和规范的合奏
The chemical short-range order (CSRO) in the crystalline materials influences the properties and its effect is particularly important in the context of the multicomponent materials. We propose a scheme for CSRO parameter or $\mathrm{Δ-}$parameter in terms of number of like and unlike bonds in the multicomponent systems. The OPERA or $\bf{O}$rder $\bf{P}$arameter $\bf{E}$ngineering for $\bf{RA}$ndom Systems scheme for both semi-canonical as well as canonical ensemble is proposed. The proposed framework provides a high-throughput scheme for exploration of the CSRO in terms of the $\mathrm{Δ-}$parameter. We demonstrate the applicability of the $\mathrm{Δ-}$parameter for describing the CSRO in multicomponent alloys and oxides (FCC-CoCrNi, BCC-MoNbTaW and (CoCuMgNiZn)O). We show that the $\mathrm{Δ-}$parameter not only inherits the merit of Warren-Cowley order parameter, but it also addresses its limitations. The $\mathrm{Δ-}$parameter being a scalar quantity can represent the chemical order and OPERA framework can deal with both semi-canonical and canonical ensemble
