Monte Carlo study of coherent scattering effects of low-energy charged particle transport in Percus-Yevick liquids

W. J. Tattersall; D. G. Cocks; G. J. Boyle; S. J. Buckman; R. D. White

doi:10.1103/PhysRevE.91.043304

Monte Carlo study of coherent scattering effects of low-energy charged particle transport in Percus-Yevick liquids

W. J. Tattersall, D. G. Cocks, G. J. Boyle, S. J. Buckman, R. D. White

Research output: Contribution to journal › Article › peer-review

17 Citations (Scopus)

Abstract

We generalize a simple Monte Carlo (MC) model for dilute gases to consider the transport behavior of positrons and electrons in Percus-Yevick model liquids under highly nonequilibrium conditions, accounting rigorously for coherent scattering processes. The procedure extends an existing technique [Wojcik and Tachiya, Chem. Phys. Lett. 363, 381 (2002)CHPLBC0009-261410.1016/S0009-2614(02)01177-6], using the static structure factor to account for the altered anisotropy of coherent scattering in structured material. We identify the effects of the approximation used in the original method, and we develop a modified method that does not require that approximation. We also present an enhanced MC technique that has been designed to improve the accuracy and flexibility of simulations in spatially varying electric fields. All of the results are found to be in excellent agreement with an independent multiterm Boltzmann equation solution, providing benchmarks for future transport models in liquids and structured systems.

Original language	English
Article number	042201
Journal	Physical Review E
Volume	91
Issue number	4
DOIs	https://doi.org/10.1103/PhysRevE.91.043304
Publication status	Published - 16 Apr 2015

Access to Document

10.1103/PhysRevE.91.043304

Cite this

@article{eca6c5f234fc421a91bf1f70bac4504b,

title = "Monte Carlo study of coherent scattering effects of low-energy charged particle transport in Percus-Yevick liquids",

abstract = "We generalize a simple Monte Carlo (MC) model for dilute gases to consider the transport behavior of positrons and electrons in Percus-Yevick model liquids under highly nonequilibrium conditions, accounting rigorously for coherent scattering processes. The procedure extends an existing technique [Wojcik and Tachiya, Chem. Phys. Lett. 363, 381 (2002)CHPLBC0009-261410.1016/S0009-2614(02)01177-6], using the static structure factor to account for the altered anisotropy of coherent scattering in structured material. We identify the effects of the approximation used in the original method, and we develop a modified method that does not require that approximation. We also present an enhanced MC technique that has been designed to improve the accuracy and flexibility of simulations in spatially varying electric fields. All of the results are found to be in excellent agreement with an independent multiterm Boltzmann equation solution, providing benchmarks for future transport models in liquids and structured systems.",

author = "Tattersall, {W. J.} and Cocks, {D. G.} and Boyle, {G. J.} and Buckman, {S. J.} and White, {R. D.}",

note = "Publisher Copyright: {\textcopyright} 2015 American Physical Society.",

year = "2015",

month = apr,

day = "16",

doi = "10.1103/PhysRevE.91.043304",

language = "English",

volume = "91",

journal = "Physical Review E",

issn = "2470-0045",

publisher = "American Physical Society",

number = "4",

}

TY - JOUR

T1 - Monte Carlo study of coherent scattering effects of low-energy charged particle transport in Percus-Yevick liquids

AU - Tattersall, W. J.

AU - Cocks, D. G.

AU - Boyle, G. J.

AU - Buckman, S. J.

AU - White, R. D.

PY - 2015/4/16

Y1 - 2015/4/16

N2 - We generalize a simple Monte Carlo (MC) model for dilute gases to consider the transport behavior of positrons and electrons in Percus-Yevick model liquids under highly nonequilibrium conditions, accounting rigorously for coherent scattering processes. The procedure extends an existing technique [Wojcik and Tachiya, Chem. Phys. Lett. 363, 381 (2002)CHPLBC0009-261410.1016/S0009-2614(02)01177-6], using the static structure factor to account for the altered anisotropy of coherent scattering in structured material. We identify the effects of the approximation used in the original method, and we develop a modified method that does not require that approximation. We also present an enhanced MC technique that has been designed to improve the accuracy and flexibility of simulations in spatially varying electric fields. All of the results are found to be in excellent agreement with an independent multiterm Boltzmann equation solution, providing benchmarks for future transport models in liquids and structured systems.

AB - We generalize a simple Monte Carlo (MC) model for dilute gases to consider the transport behavior of positrons and electrons in Percus-Yevick model liquids under highly nonequilibrium conditions, accounting rigorously for coherent scattering processes. The procedure extends an existing technique [Wojcik and Tachiya, Chem. Phys. Lett. 363, 381 (2002)CHPLBC0009-261410.1016/S0009-2614(02)01177-6], using the static structure factor to account for the altered anisotropy of coherent scattering in structured material. We identify the effects of the approximation used in the original method, and we develop a modified method that does not require that approximation. We also present an enhanced MC technique that has been designed to improve the accuracy and flexibility of simulations in spatially varying electric fields. All of the results are found to be in excellent agreement with an independent multiterm Boltzmann equation solution, providing benchmarks for future transport models in liquids and structured systems.

UR - http://www.scopus.com/inward/record.url?scp=84929173825&partnerID=8YFLogxK

U2 - 10.1103/PhysRevE.91.043304

DO - 10.1103/PhysRevE.91.043304

M3 - Article

SN - 2470-0045

VL - 91

JO - Physical Review E

JF - Physical Review E

IS - 4

M1 - 042201

ER -

Monte Carlo study of coherent scattering effects of low-energy charged particle transport in Percus-Yevick liquids

Abstract

Access to Document

Other files and links

Fingerprint

Cite this