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首页> 外文期刊>The Journal of Chemical Physics >Metal clusters with hidden ground states: Melting and structural transitionsin A1115~+,A1116~+,andA1117~+
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Metal clusters with hidden ground states: Melting and structural transitionsin A1115~+,A1116~+,andA1117~+

机译：具有隐藏基态的金属团簇：A 1115〜+，A1116〜+和A 1117〜+的熔融和结构转变

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摘要

Heat capacities measured as a function of temperature for A1115~+,Al_(116)~and 117)~+show twowell-resolved peaks, at around 450 and 600 K. After being annealed to 523 K (a temperaturebetween the two peaks) or to 773 K (well above both peaks), the high temperature peak remainsunchanged but the low temperature peak disappears. After considering the possible explanations, thelow temperature peak is attributed to a structural transition and the high temperature peak to themelting of the higher enthalpy structure generated by the structural transition. The annealing resultsshow that the liquid clusters freeze exclusively into the higher enthalpy structure and that the lowerenthalpy structure is not accessible from the higher enthalpy one on the timescale of theexperiments. We suggest that the low enthalpy structure observed before annealing results fromepitaxy, where the smaller clusters act as a nucleus and follow a growth pattern that provides accessto the low enthalpy structure. The solid-to-solid transition that leads to the low temperature peak inthe heat capacity does not occur under equilibrium but requires a superheated solid.
机译：根据A1115〜+，Al_（116）〜和117）〜+的温度测量的热容量显示两个分辨良好的峰，分别位于450和600 K左右。退火至523 K（两个峰之间的温度）或到773 K（远高于两个峰）时，高温峰保持不变，但低温峰消失。在考虑了可能的解释之后，低温峰归因于结构转变，而高温峰归因于由结构转变产生的较高焓结构的熔化。退火结果表明，在实验的时间尺度上，液态团簇仅冻结成较高的焓结构，而较高的焓则不能进入较低的焓结构。我们建议退火之前观察到的低焓结构是由外延引起的，其中较小的团簇起着核的作用，并遵循提供进入低焓结构的生长模式。在平衡状态下不会发生导致热容量低温峰的固-固转变，而是需要过热的固体。

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