Amon Alfred, Chater Philip A, Vaughan Gavin, Smith Rachael, Salzmann Christoph G
Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K.
Material Science Division, Lawrence Livermore National Laboratory, Livermore California, 94550, United States.
J Phys Chem C Nanomater Interfaces. 2023 Aug 9;127(33):16687-16694. doi: 10.1021/acs.jpcc.3c03857. eCollection 2023 Aug 24.
Liquid metals such as eutectic Ga-In alloys have low melting points and low toxicity and are used in catalysis and micro-robotics. This study investigates the local atomic structure of liquid gallium-indium alloys by a combination of density measurements, diffraction data, and Monte-Carlo simulation via the empirical potential structure refinement approach. A high- shoulder observed in liquid Ga is related to structural rearrangements in the second coordination shell. Structure analysis found coordination environments close to a random distribution for eutectic Ga-In alloy, while electronic effects appear to dominate the mixing enthalpy.
诸如共晶镓铟合金之类的液态金属具有低熔点和低毒性，被用于催化和微型机器人技术领域。本研究通过密度测量、衍射数据以及经由经验势结构精修方法的蒙特卡罗模拟相结合的方式，研究了液态镓铟合金的局部原子结构。在液态镓中观察到的一个高肩峰与第二配位层中的结构重排有关。结构分析发现，共晶镓铟合金的配位环境接近随机分布，而电子效应似乎主导了混合焓。
