期刊
JOURNAL OF CHEMICAL PHYSICS
卷 115, 期 6, 页码 2621-2628出版社
AMER INST PHYSICS
DOI: 10.1063/1.1385795
关键词
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Parallel tempering Monte Carlo and multihistogram methods are combined to study the phase changes of the water octamer. The heat capacity is calculated continuously from very low temperatures up to T=230 K. We find the melting temperature to be 178.5 K. In addition, a solid-solid phase change is found at 12 K. We introduce an order parameter to monitor this low temperature phase change. (C) 2001 American Institute of Physics.
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