制备顺序控制钨上硼与锂之间的氧分配
Preparation sequence controls oxygen partitioning between boron and lithium on tungsten
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中文总结 AI 辅助
通过反应分子动力学模拟发现，硼和氧的引入顺序而非硼总量决定钨表面化学，锂的加入可改变共沉积体系的氧分配并形成锂硼酸盐网络，影响氘辐照响应。
中文摘要 AI 辅助
对硼和锂调节的钨表面的经典反应分子动力学研究表明，硼和氧引入的顺序（而非硼的总量）控制表面化学。在薄工程氧化钨上，硼捕获81%的氧并消耗氧化物；在工程化的约2 nm混合WO3/WO2薄膜上，硼仅捕获20%的氧，并使52%的反应区钨保持WO3类配位；在共沉积的W-B基底随后暴露于氧的情况下，尽管硼总量高出十倍，其仅捕获28%的氧。添加锂后，氧化物优先的情况保持不变，但共沉积情况发生转变，锂成为主要的氧捕获者（58%），并形成锂硼酸盐玻璃状网络。我们概述了仅含硼和含硼加锂材料对氘辐照预期的不同响应。
英文摘要
Classical reactive molecular dynamics of boron- and lithium-conditioned tungsten surfaces show that the order in which boron and oxygen are introduced - not the boron inventory - controls surface chemistry. On a thin engineered tungsten oxide, boron captures 81% of oxygen and consumes the oxide; on an engineered ~2 nm mixed WO3/WO2 film, boron captures only 20% and leaves 52% of reaction-zone tungsten in WO3-like coordination; and in a co-deposited W-B substrate later exposed to oxygen, boron captures only 28% despite a tenfold larger inventory. Adding lithium leaves the oxide-first cases unchanged but transforms the co-deposited case, where lithium becomes the dominant oxygen captor (58%) and a lithium-borate-glass-like network form. We outline the expected, divergent responses of the boron-only and boron-plus-lithium materials to deuterium irradiation.
发表机构
- TheoretiK Consulting（TheoretiK咨询公司）
- Department of Nuclear Engineering, The Pennsylvania State University（宾夕法尼亚州立大学核工程系）
- Department of Materials Science and Engineering, Monash University（蒙纳士大学材料科学与工程系）
- Department of Mechanical Engineering, The Pennsylvania State University（宾夕法尼亚州立大学机械工程系）
机构由 AI 辅助整理，请以论文原文为准。
