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Theoretical calculation of the temperature coefficient of surface excess entropy of pure liquid metals

机译：纯液态金属表面过量熵温度系数的理论计算

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摘要

The temperature coefficient of surface excess entropy dS_s/dT of pure liquid metals (Al, Ga and Bi) has been calculated in the framework of Skapski's nearest-neighbor interaction-broken-bond model. It is found that this coefficient varies by 47.2%, 69% and 85% for pure liquids Al, Bi and Ga, respectively, in the temperature range between the melting temperature T_m and T_m + 400 K. The value of the coefficient for pure liquid Ga is an order of magnitude larger than that of Al and Bi. The largest increase in dS_s/dr with temperature occurs in the first 100 K away from T_m, being the largest for liquid Ga which is about 43%. This variation is experimentally inaccessible and therefore lacking in the literature and has never been reported.
机译：在Skapski最近邻相互作用断裂键模型的框架内，计算了纯液态金属（Al，Ga和Bi）的表面过量熵的温度系数dS_s / dT。发现在熔融温度T_m和T_m + 400 K之间的温度范围内，纯液体Al，Bi和Ga的该系数分别变化了47.2％，69％和85％。纯液体的系数值Ga比Al和Bi大一个数量级。 dS_s / dr随温度的增加最大，出现在距T_m的前100 K，这是液体Ga的最大增加，约为43％。这种变化在实验上是无法获得的，因此在文献中缺乏，并且从未被报道过。

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