### Abstract

Ionic motion in framework solid electrolytes constitutes a special sort of classical many-body problem. In such electrolytes, the conductivity is due to the motion of interacting mobile ions modulated by the presence of an essentially immobile framework sublattice. Here, a one-dimensional model of interacting particles, governed by Langevin's equations of motion in a sinusoidal potential, is used to calculate particle distribution functions and effective potentials. The effective potential V_{eff}(x), is then defined through the density distribution, ρ{variant}(x), ρ{variant}(x) ∞ e^{-βV}_{eff}^{x} where β = 1/kT. The Langevin dynamics simulation is used to calculate ρ{variant}(x), which in turn gives V_{eff}(x). The dc conductivity and the other distribution functions can be used to investigate commensurability effects, pinning effects, and screening effects. Comparisons can then be made between correct numerical many-body results and various analytical approximations.

Original language | English |
---|---|

Pages (from-to) | 127-135 |

Number of pages | 9 |

Journal | Solid State Ionics |

Volume | 18-19 |

Issue number | PART 1 |

DOIs | |

Publication status | Published - 1986 |

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### ASJC Scopus subject areas

- Electrochemistry
- Physical and Theoretical Chemistry
- Energy Engineering and Power Technology
- Materials Chemistry
- Condensed Matter Physics

### Cite this

*Solid State Ionics*,

*18-19*(PART 1), 127-135. https://doi.org/10.1016/0167-2738(86)90099-8

**Effective potentials from Langevin dynamic simulations of framework solid electrolytes.** / Rosenberg, R. O.; Boughaleb, Y.; Nitzan, A.; Ratner, Mark A.

Research output: Contribution to journal › Article

*Solid State Ionics*, vol. 18-19, no. PART 1, pp. 127-135. https://doi.org/10.1016/0167-2738(86)90099-8

}

TY - JOUR

T1 - Effective potentials from Langevin dynamic simulations of framework solid electrolytes

AU - Rosenberg, R. O.

AU - Boughaleb, Y.

AU - Nitzan, A.

AU - Ratner, Mark A

PY - 1986

Y1 - 1986

N2 - Ionic motion in framework solid electrolytes constitutes a special sort of classical many-body problem. In such electrolytes, the conductivity is due to the motion of interacting mobile ions modulated by the presence of an essentially immobile framework sublattice. Here, a one-dimensional model of interacting particles, governed by Langevin's equations of motion in a sinusoidal potential, is used to calculate particle distribution functions and effective potentials. The effective potential Veff(x), is then defined through the density distribution, ρ{variant}(x), ρ{variant}(x) ∞ e-βVeffx where β = 1/kT. The Langevin dynamics simulation is used to calculate ρ{variant}(x), which in turn gives Veff(x). The dc conductivity and the other distribution functions can be used to investigate commensurability effects, pinning effects, and screening effects. Comparisons can then be made between correct numerical many-body results and various analytical approximations.

AB - Ionic motion in framework solid electrolytes constitutes a special sort of classical many-body problem. In such electrolytes, the conductivity is due to the motion of interacting mobile ions modulated by the presence of an essentially immobile framework sublattice. Here, a one-dimensional model of interacting particles, governed by Langevin's equations of motion in a sinusoidal potential, is used to calculate particle distribution functions and effective potentials. The effective potential Veff(x), is then defined through the density distribution, ρ{variant}(x), ρ{variant}(x) ∞ e-βVeffx where β = 1/kT. The Langevin dynamics simulation is used to calculate ρ{variant}(x), which in turn gives Veff(x). The dc conductivity and the other distribution functions can be used to investigate commensurability effects, pinning effects, and screening effects. Comparisons can then be made between correct numerical many-body results and various analytical approximations.

UR - http://www.scopus.com/inward/record.url?scp=0021895786&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0021895786&partnerID=8YFLogxK

U2 - 10.1016/0167-2738(86)90099-8

DO - 10.1016/0167-2738(86)90099-8

M3 - Article

AN - SCOPUS:0021895786

VL - 18-19

SP - 127

EP - 135

JO - Solid State Ionics

JF - Solid State Ionics

SN - 0167-2738

IS - PART 1

ER -