二维晶格上具有交换扩散的YK表面反应模型的相图
Phase Diagrams of the YK Surface-Reaction Model on 2D lattices with Exchange Diffusion
AI总结：
本研究通过稳态蒙特卡洛模拟，探讨了二维晶格上YK表面反应模型在不同解离率和交换扩散率下的相图特性。
摘要：
在本研究中，我们探讨了在正方形和六边形晶格上允许一氧化氮解离率$ r_{NO} $和交换扩散率$ x $的情况下，Yaldram和Khan催化表面模型的相图。为了达到我们的目标，我们进行了稳态蒙特卡洛（MC）模拟，覆盖了$ 4\times 10^5 $个点，对两种晶格都进行了模拟，以获得模型在不同$ r_{NO} $值下的稳态反应状态框架。结果表明，在正方形晶格上，当$ r_{NO} $和$ x $取某些值时，稳态反应状态会显现。我们对六边形晶格的研究也显示，这些物种的扩散有利于在$ r_{NO} $低于标准模型时出现活性相。此外，我们观察到系统在两种晶格中都存在连续相变和不连续相变，将活性相与吸收状态分隔开，除了$ r_{NO}=1 $的情况，其中连续相变被破坏，从非常小的$ x $值开始出现稳态反应状态。
英文摘要：
In this work, we investigate the phase diagrams of the Yaldram and Khan catalytic surface model on square and hexagonal lattices when exchange diffusion is allowed for carbon monoxide (CO) and nitrogen (N) atoms. To reach our goal, we carried out steady-state Monte Carlo (MC) simulations over $4\times 10^5$ points, for both lattices, in order to obtain a framework of the steady reactive state of the model for different values of the nitric oxide dissociation rate, $r_{NO}$. The results show the emergence of steady reactive state for certain values of $r_{NO}$ and of exchange diffusion rate $x$ when the simulations take place on square lattices. Our findings on the hexagonal lattice also show that the diffusion of these species favors the appearance of the active phase for values of $r_{NO}$ lower than that found for the standard model. In addition, we observed that the system possesses a continuous phase transition and a discontinuous one separating the active phase from absorbing states for both lattices, except for $r_{NO}=1$ in which the continuous phase transition is destroyed and a steady reactive state emerges from the beginning since very small values of $x$.
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