High-throughput determination of structural phase diagram and constituent phases using GRENDEL
نویسندگان
چکیده
منابع مشابه
High-throughput determination of structural phase diagram and constituent phases using GRENDEL.
Advances in high-throughput materials fabrication and characterization techniques have resulted in faster rates of data collection and rapidly growing volumes of experimental data. To convert this mass of information into actionable knowledge of material process-structure-property relationships requires high-throughput data analysis techniques. This work explores the use of the Graph-based endm...
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Combinatorial entropy and phase diagram of partially ordered ice phases.
A close analytical estimate for the combinatorial entropy of partially ordered ice phases is presented. The expression obtained is very general, as it can be used for any ice phase obeying the Bernal-Fowler rules. The only input required is a number of crystallographic parameters, and the experimentally observed proton site occupancies. For fully disordered phases such as hexagonal ice, it reco...
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ژورنال
عنوان ژورنال: Nanotechnology
سال: 2015
ISSN: 0957-4484,1361-6528
DOI: 10.1088/0957-4484/26/44/444002