2024-03-28T17:12:41Zhttp://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/24462021-07-06T08:33:30Zcom_10324_1159com_10324_931com_10324_894col_10324_1310
González Fernández, David José
aff06f20e495a431
500
González Tesedo, Luis Enrique
d2cbdfd050fdce59
500
López Rodríguez, José Manuel
2f02e22b6bd3347e
500
0000-0003-0995-0558
Stott, Malcolm J.
88542c72-7b75-4adb-b8bb-f747814c80a8
500
2013-03-09T17:38:32Z
2013-03-09T17:38:32Z
2004
Physical Review E, vol. 69, n 3 (2004), p.1-14
http://uvadoc.uva.es/handle/10324/2446
10.1103/PhysRevE.69.031205
1
3
14
Physical review E
3
Producción Científica
We present results for several structural and dynamical properties of the liquid Li1-xNax alloy. The study has been carried out by means of the orbital-free ab initio molecular dynamics method, combined with local ionic pseudopotentials constructed within the same framework. We obtain good agreement with the available experimental data, reproducing accurately, the strong homocoordinating tendencies exhibited by this alloy. The calculated partial dynamic structure factors exhibit clear side peaks whose frequencies, for q<~0.25Å-1, correspond to the hydrodynamic sound dispersion of the binary alloy, whereas for larger q values fast and slow sound modes are identified. The mass ratio in this system, mNa/mLi≈3, is the smallest one so far for which the fast mode is observed.
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The American Physical Society
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Líquidos
Dinámica molecular
Compresibilidad
Microscopic dynamics in the liquid Li-Na alloy: An ab initio molecular dynamics study
info:eu-repo/semantics/article
http://link.aps.org/doi/10.1103/PhysRevE.69.031205
SI
ORIGINAL
PhysRevE.69.031205.pdf
PhysRevE.69.031205.pdf
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227813
https://uvadoc.uva.es/bitstream/10324/2446/1/PhysRevE.69.031205.pdf
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MD5
1
LICENSE
license.txt
license.txt
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4241
https://uvadoc.uva.es/bitstream/10324/2446/2/license.txt
42c6b27c3a37fd8fd6bdfb8b1bc4b2d9
MD5
2
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742837402529d4e8f37b4f2ccfaa685c
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5
10324/2446
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2021-07-06 10:33:30.83
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