The structure of molten CuCl, CuI and their mixtures as investigated by using neutron diffraction

James W E Drewitt; Philip S Salmon; Shin Takeda; Yukinobu Kawakita

doi:10.1088/0953-8984/21/7/075104

The structure of molten CuCl, CuI and their mixtures as investigated by using neutron diffraction

James W E Drewitt, Philip S Salmon, Shin Takeda, Yukinobu Kawakita

Department of Physics

Research output: Contribution to journal › Article

7 Citations (Scopus)

Abstract

The structure of molten CuCl, CuI and their mixtures (CuCl) x(CuI)1-x with x = 0.294, 0.576, 0.801 was studied by using neutron diffraction. The results are discussed by reference to the information that is available on the structure of CuCl and CuI from experiment, theory and computer simulation. The comparison points to a need for more realistic models for the CuCl-CuI system which should take into account the presence of chemical bonds that have been found in CuI by the application of ab initio molecular dynamics methods.

Original language	English
Article number	075104
Journal	Journal of Physics-Condensed Matter
Volume	21
Issue number	7
DOIs	https://doi.org/10.1088/0953-8984/21/7/075104
Publication status	Published - 2009

Keywords

Neutron diffraction
Molecular dynamics
Copper compounds
Dynamics
Bond strength (chemical)

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10.1088/0953-8984/21/7/075104

Fingerprint Dive into the research topics of 'The structure of molten CuCl, CuI and their mixtures as investigated by using neutron diffraction'. Together they form a unique fingerprint.

2 Finished

Glassy and Liquid Networks: Deformability and Manipulation
Salmon, P. & Zeidler, A.
Engineering and Physical Sciences Research Council
1/10/08 → 30/12/11
Project: Research council
DESIGN OF INTERMEDIATE RANGE ORDER IN AMORPHOUS MATERIALS
Salmon, P.
Engineering and Physical Sciences Research Council
1/04/05 → 30/09/08
Project: Research council

Cite this

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title = "The structure of molten CuCl, CuI and their mixtures as investigated by using neutron diffraction",

abstract = "The structure of molten CuCl, CuI and their mixtures (CuCl) x(CuI)1-x with x = 0.294, 0.576, 0.801 was studied by using neutron diffraction. The results are discussed by reference to the information that is available on the structure of CuCl and CuI from experiment, theory and computer simulation. The comparison points to a need for more realistic models for the CuCl-CuI system which should take into account the presence of chemical bonds that have been found in CuI by the application of ab initio molecular dynamics methods.",

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AU - Drewitt, James W E

AU - Salmon, Philip S

AU - Takeda, Shin

AU - Kawakita, Yukinobu

PY - 2009

Y1 - 2009

N2 - The structure of molten CuCl, CuI and their mixtures (CuCl) x(CuI)1-x with x = 0.294, 0.576, 0.801 was studied by using neutron diffraction. The results are discussed by reference to the information that is available on the structure of CuCl and CuI from experiment, theory and computer simulation. The comparison points to a need for more realistic models for the CuCl-CuI system which should take into account the presence of chemical bonds that have been found in CuI by the application of ab initio molecular dynamics methods.

AB - The structure of molten CuCl, CuI and their mixtures (CuCl) x(CuI)1-x with x = 0.294, 0.576, 0.801 was studied by using neutron diffraction. The results are discussed by reference to the information that is available on the structure of CuCl and CuI from experiment, theory and computer simulation. The comparison points to a need for more realistic models for the CuCl-CuI system which should take into account the presence of chemical bonds that have been found in CuI by the application of ab initio molecular dynamics methods.

KW - Neutron diffraction

KW - Molecular dynamics

KW - Copper compounds

KW - Dynamics

KW - Bond strength (chemical)

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DO - 10.1088/0953-8984/21/7/075104

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JO - Journal of Physics: Condensed Matter

JF - Journal of Physics: Condensed Matter

SN - 0953-8984

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The structure of molten CuCl, CuI and their mixtures as investigated by using neutron diffraction

Abstract

Keywords

Access to Document

Glassy and Liquid Networks: Deformability and Manipulation

DESIGN OF INTERMEDIATE RANGE ORDER IN AMORPHOUS MATERIALS

Cite this