Polymorph selection in the crystallization of hard-core Yukawa system
نویسندگان
چکیده
منابع مشابه
Stable centred tetragonal phases in the hard core Yukawa system.
The hard core Yukawa system, consisting of particles with an impenetrable core and interacting via a repulsive Yukawa pair potential, is known to solidify either in a bcc or fcc crystal. Using optimization strategies based on genetic algorithms we give evidence that at zero temperature an additional centred tetragonal phase structure in the range of high packing fractions emerges.
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ژورنال
عنوان ژورنال: Science China Chemistry
سال: 2015
ISSN: 1674-7291,1869-1870
DOI: 10.1007/s11426-015-5473-z