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Liquid state anomalies and the relationship to the crystalline phase diagram

Abstract:

A relationship between the observation of a density anomaly and the underlying crystalline phase diagram is demonstrated. The crystal phase diagram and temperature of maximum density (TMD) lines are calculated over a range of parameter space using a Stillinger-Weber potential. Relationships between the loci of density maxima in the P T plane for the liquid state and the underlying crystalline phase diagram are investigated. Two key potential parameters are systematically varied in order to co...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Accepted Manuscript

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Publisher copy:
10.1103/PhysRevE.99.010103

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Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry
Subgroup:
Physical & Theoretical Chem
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry
Subgroup:
Physical & Theoretical Chem
Oxford college:
Brasenose College
Role:
Author
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Funding agency for:
Fijan, D
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Grant:
EPSRC Centre for Doctoral training, Theory and Modelling in Chemical Sciences, under grant EP/L015722/1
Publisher:
American Physical Society Publisher's website
Journal:
Physical Review E Journal website
Volume:
99
Issue:
1
Pages:
Article: 010103
Publication date:
2019-01-10
Acceptance date:
2018-11-28
DOI:
EISSN:
2470-0053
ISSN:
2470-0045
Pubs id:
pubs:948307
URN:
uri:059f738e-85c8-49fc-b5d8-ebc58e61159c
UUID:
uuid:059f738e-85c8-49fc-b5d8-ebc58e61159c
Local pid:
pubs:948307

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