Advanced search
Publication Cover
Molecular Simulation Volume 45, 2019 - Issue 9
Submit an article Journal homepage
108
Views
4
CrossRef citations to date
0
Altmetric
Articles

Interionic potential for α-RbAg4I5-system at room temperature by molecular dynamics

J. C. BurbanoDepartamento de Ciencias Básicas, Institución Universitaria Antonio José Camacho, Cali, Colombia
,
J. E. DiosaDepartamento de Física, Universidad del Valle, Cali, Colombia;Centro de Excelencia en Nuevos Materiales, Universidad del Valle, Cali, Colombia
&
D. Peña LaraDepartamento de Física, Universidad del Valle, Cali, Colombia;Centro de Excelencia en Nuevos Materiales, Universidad del Valle, Cali, ColombiaCorrespondence[email protected]
Pages 724-727 | Received 16 May 2018, Accepted 07 Feb 2019, Published online: 01 Mar 2019

References

  • Bradley JN, Greene PD. Solids with high ionic conductivity in group 1 halide systems. Trans Faraday Soc. 1967;63:424–430. doi: 10.1039/tf9676300424
  • Owens BB, Argue GR. High-conductivity solid electrolytes: MAg4I5. Science. 1967;157(3786):308–310. doi: 10.1126/science.157.3786.308
  • Raleigh DO. Ionic conductivity of single-crystal and polycrystalline RbAg4I5. J Appl Phys. 1970;41:1876–1877. doi: 10.1063/1.1659131
  • Lederman FL, Salamon MB, Peisl H. Evidence for an order–disorder transformation in the solid electrolyte RbAg4I5. Sol Stat Commun. 1976;19(2):147–150. doi: 10.1016/0038-1098(76)90455-5
  • Vargas RA, Salamon MB, Flynn CP. Ionic conductivity and heat capacity of the solid electrolytes MAg4I5 near Tc. Phys Rev B. 1977;17(1):269–281. doi: 10.1103/PhysRevB.17.269
  • Bradley JN, Greene PD. Relationship of structure and ionic mobility in solid MAg4I5. Trans Faraday Soc. 1967;63:2516–2521. doi: 10.1039/tf9676302516
  • Geller S. Crystal structure of the solid electrolyte, RbAg4l5. Science. 1967;157(3786):310–312. doi: 10.1126/science.157.3786.310
  • Geller S. Low-temperature phases of the solid electrolyte RbAg4l5. Phys Rev B. 1976;14(10):4345–4355. doi: 10.1103/PhysRevB.14.4345
  • Owens BB, Bottelberghe JR. Twenty year storage test of Ag/RbAg4I5/I2 solid state batteries. Sol Stat Ionics. 1993;62(3–4):243–249. doi: 10.1016/0167-2738(93)90378-G
  • Takeuchi T, Sagn-il C. Potential energy of Ag+ ion in RbAg4I5. J Chem Phys. 1978;69(8):3672–3674. doi: 10.1063/1.437028
  • Takeuchi T. Note on MD calculation of RbAg4I5. Phys Stat Sol (b). 1988;147:K9–K10. doi: 10.1002/pssb.2221470153
  • Takeuchi T. On carrier ion interaction in RbAg4I5. Phys Stat Sol (b). 1994;184(2):309–312. doi: 10.1002/pssb.2221840203
  • Matsunaga S. Structural features in molten RbAg4I5 by molecular dynamics simulation. Mol Simul. 2013;39(2):119–122. doi: 10.1080/08927022.2012.706711
  • Ciccotti G, Jacucci G, McDonald IR. Transport properties of molten alkali halides. Phys Rev A. 1976;13(1):426–436. doi: 10.1103/PhysRevA.13.426
  • Matsunaga S, Tamaki S. On the inter ionic potentials of molten salts. EPJ Web Conf. 2011;15:1–6. doi: 10.1051/epjconf/20111502010
  • Refson KM. A portable molecular dynamics simulation program for serial and parallel computers. Comput Phys Commun. 2000;126:310–329. doi: 10.1016/S0010-4655(99)00496-8
  • Amini M, Fincham D. Evaluation of temperature in molecular dynamics simulation. Comput Phys Commun. 1990;56(3):313–324. doi: 10.1016/0010-4655(90)90017-U
  • Toxvaerd S, Heilmann OJ, Dyre JC. Energy conservation in molecular dynamics simulations of classical systems. J Chem Phys. 2012;136:224106-1–224106-8. doi: 10.1063/1.4726728
  • Haile JM. Molecular dynamics simulation: elementary methods. New York: John Wiley & Sons, Inc; 1992.
  • Looser H, Mall M, Roos J. Ag diffusion constant in RbAg4I5 and KAg4I5 determined by pulsed magnetic gradient NMR. Sol Stat Ionics. 1983;9-10:1237–1240. doi: 10.1016/0167-2738(83)90158-3

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.