钼中的弗里德尔振荡和氦泡有序

W. Geng, Q. Zhan
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引用次数: 0

摘要

注入金属中的氦离子可以演化成与主晶格同构的有序气泡。长期弹性相互作用通常被认为是气泡超晶格形成的驱动因素,但对其初始阶段的热力学却知之甚少。我们的第一性原理计算表明,在钼中,由单个氦引起的弗里德尔振荡在短He-He距离上产生了氦簇的势垒和阱。这种高浓度的斥力和吸引力提供了一种热力学潜水力,帮助将随机分布的He原子排列成有序的气泡。弗里德尔振荡可能对合金中溶质-溶质相互作用有普遍的影响。
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Friedel Oscillations and Helium Bubble Ordering in Molybdenum
Helium ions implanted into metals can evolve into ordered bubbles isomorphic to the host lattice. Long-range elastic interaction is generally believed to drive the formation of bubble superlattice, but little is known about the thermodynamics at the very initial stage. Our first-principles calculations demonstrate that in molybdenum, Friedel oscillations induced by individual helium generate both potential barriers and wells for helium clustering at short He-He distances. Such repulsion and attraction at high concentration provide a thermodynamic diving force to assist lining up randomly distributed He atoms into ordered bubbles. Friedel oscillations might have general impact on solute-solute interactions in alloys.
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