Abstract
| Original language | English |
|---|---|
| Article number | 075104 |
| Journal | Journal of Physics-Condensed Matter |
| Volume | 21 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - 2009 |
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Keywords
- Neutron diffraction
- Molecular dynamics
- Copper compounds
- Dynamics
- Bond strength (chemical)
Cite this
The structure of molten CuCl, CuI and their mixtures as investigated by using neutron diffraction. / Drewitt, James W E; Salmon, Philip S; Takeda, Shin; Kawakita, Yukinobu.
In: Journal of Physics-Condensed Matter, Vol. 21, No. 7, 075104, 2009.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The structure of molten CuCl, CuI and their mixtures as investigated by using neutron diffraction
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)
UR - http://www.scopus.com/inward/record.url?scp=63749114915&partnerID=8YFLogxK
UR - http://dx.doi.org/10.1088/0953-8984/21/7/075104
U2 - 10.1088/0953-8984/21/7/075104
DO - 10.1088/0953-8984/21/7/075104
M3 - Article
VL - 21
JO - Journal of Physics: Condensed Matter
JF - Journal of Physics: Condensed Matter
SN - 0953-8984
IS - 7
M1 - 075104
ER -