Monte Carlo simulation of a two-species diffusive lattice gas in optimized C* on the connection machine. Metal-ion doping effects in the high-temperature superconductor YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al)

Research output: Contribution to journal › Journal article › Research › peer-review

Standard

Monte Carlo simulation of a two-species diffusive lattice gas in optimized C* on the connection machine. Metal-ion doping effects in the high-temperature superconductor YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al). / Mannstaedt, Stephan; Fiig, Thomas; Andersen, Niels Hessel; Lindgård, Per Anker; Mouritsen, Ole G.

In: Computational Materials Science, Vol. 3, No. 1, 09.1994, p. 9-20.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Mannstaedt, S, Fiig, T, Andersen, NH, Lindgård, PA & Mouritsen, OG 1994, 'Monte Carlo simulation of a two-species diffusive lattice gas in optimized C* on the connection machine. Metal-ion doping effects in the high-temperature superconductor YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al)', Computational Materials Science, vol. 3, no. 1, pp. 9-20. https://doi.org/10.1016/0927-0256(94)90149-X

APA

Mannstaedt, S., Fiig, T., Andersen, N. H., Lindgård, P. A., & Mouritsen, O. G. (1994). Monte Carlo simulation of a two-species diffusive lattice gas in optimized C* on the connection machine. Metal-ion doping effects in the high-temperature superconductor YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al). Computational Materials Science, 3(1), 9-20. https://doi.org/10.1016/0927-0256(94)90149-X

Vancouver

Mannstaedt S, Fiig T, Andersen NH, Lindgård PA, Mouritsen OG. Monte Carlo simulation of a two-species diffusive lattice gas in optimized C* on the connection machine. Metal-ion doping effects in the high-temperature superconductor YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al). Computational Materials Science. 1994 Sep;3(1):9-20. https://doi.org/10.1016/0927-0256(94)90149-X

Author

Mannstaedt, Stephan ; Fiig, Thomas ; Andersen, Niels Hessel ; Lindgård, Per Anker ; Mouritsen, Ole G. / Monte Carlo simulation of a two-species diffusive lattice gas in optimized C* on the connection machine. Metal-ion doping effects in the high-temperature superconductor YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al). In: Computational Materials Science. 1994 ; Vol. 3, No. 1. pp. 9-20.

Bibtex

@article{8635747e88de49a8acee5837fdbb610d,
title = "Monte Carlo simulation of a two-species diffusive lattice gas in optimized C* on the connection machine. Metal-ion doping effects in the high-temperature superconductor YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al)",
abstract = "With a view to determine the effect on the material properties of the interplay between oxygen ordering and the diffusive motion of metal-ion dopants in YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al) we have developed, for a specific statistical mechanical model, a Monte Carlo computer-simulation algorithm in optimized C* and implemented the program on a 8192-processor CM200 Connection Machine. The algorithm, which allows for the simultaneous diffusive motion of oxygen atoms and metal ions, takes full advantage of all single-bit processors available on a CM200. Performance on the CM200 is compared with that on a 65536-processor CM2 as well as various serial workstations. The simulation results on the physical model show in the case of small oxygen concentrations significant metal-ion domain-formation effects related to phase separation into a phase with dense packing of oxygen and metal-ion dopants. At high oxygen concentration, a dispersed phase is found with a strong tendency towards formation of extended O-M-O-M chains. The results are briefly discussed in relation to experiments on YBa2Cu3 - yFeyO6 + x.",
author = "Stephan Mannstaedt and Thomas Fiig and Andersen, {Niels Hessel} and Lindg{\aa}rd, {Per Anker} and Mouritsen, {Ole G.}",
year = "1994",
month = sep,
doi = "10.1016/0927-0256(94)90149-X",
language = "English",
volume = "3",
pages = "9--20",
journal = "Computational Materials Science",
issn = "0927-0256",
publisher = "Elsevier",
number = "1",

}

RIS

TY - JOUR

T1 - Monte Carlo simulation of a two-species diffusive lattice gas in optimized C* on the connection machine. Metal-ion doping effects in the high-temperature superconductor YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al)

AU - Mannstaedt, Stephan

AU - Fiig, Thomas

AU - Andersen, Niels Hessel

AU - Lindgård, Per Anker

AU - Mouritsen, Ole G.

PY - 1994/9

Y1 - 1994/9

N2 - With a view to determine the effect on the material properties of the interplay between oxygen ordering and the diffusive motion of metal-ion dopants in YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al) we have developed, for a specific statistical mechanical model, a Monte Carlo computer-simulation algorithm in optimized C* and implemented the program on a 8192-processor CM200 Connection Machine. The algorithm, which allows for the simultaneous diffusive motion of oxygen atoms and metal ions, takes full advantage of all single-bit processors available on a CM200. Performance on the CM200 is compared with that on a 65536-processor CM2 as well as various serial workstations. The simulation results on the physical model show in the case of small oxygen concentrations significant metal-ion domain-formation effects related to phase separation into a phase with dense packing of oxygen and metal-ion dopants. At high oxygen concentration, a dispersed phase is found with a strong tendency towards formation of extended O-M-O-M chains. The results are briefly discussed in relation to experiments on YBa2Cu3 - yFeyO6 + x.

AB - With a view to determine the effect on the material properties of the interplay between oxygen ordering and the diffusive motion of metal-ion dopants in YBa2Cu3 - yMyO6 + x (M = Co, Fe, Al) we have developed, for a specific statistical mechanical model, a Monte Carlo computer-simulation algorithm in optimized C* and implemented the program on a 8192-processor CM200 Connection Machine. The algorithm, which allows for the simultaneous diffusive motion of oxygen atoms and metal ions, takes full advantage of all single-bit processors available on a CM200. Performance on the CM200 is compared with that on a 65536-processor CM2 as well as various serial workstations. The simulation results on the physical model show in the case of small oxygen concentrations significant metal-ion domain-formation effects related to phase separation into a phase with dense packing of oxygen and metal-ion dopants. At high oxygen concentration, a dispersed phase is found with a strong tendency towards formation of extended O-M-O-M chains. The results are briefly discussed in relation to experiments on YBa2Cu3 - yFeyO6 + x.

UR - http://www.scopus.com/inward/record.url?scp=0028497427&partnerID=8YFLogxK

U2 - 10.1016/0927-0256(94)90149-X

DO - 10.1016/0927-0256(94)90149-X

M3 - Journal article

AN - SCOPUS:0028497427

VL - 3

SP - 9

EP - 20

JO - Computational Materials Science

JF - Computational Materials Science

SN - 0927-0256

IS - 1

ER -

ID: 236889677