Reverse Monte Carlo Simulation: A New Technique for the Determination of Disordered Structures

Molecular Simulation

Volumn 1, Issue 6, 1988, Pages 359-367

  Mcgreevy, R L ^a   Pusztai, L ^b  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

glass; liquid; Monte Carlo; radial distribution function; structure factor

Indexed keywords

EID: 28444478890     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927028808080958     Document Type: Article

References (18)

1. Hansen JP and McDonald IR. ‘Theory of simple liquids'. Academic Press, London (1986).
2. Soper AK, ‘Structure of water in a confined geometry'. EPS conference on ‘Liquids of small molecules'. Reggio, Calabria (1987).
3. Yarnell JL, Katz MJ, Wenzel RG and Koenig SH, ‘Structure factor and radial distribution function for liquid Argon at 85K'. Phys. Rev. A7 2130 (1973).
4. Rietveld HM, ‘The crystal structure factor of somed Alkaline Earth Uranates of the type M3UO6'. Acta Cryst. 20 258 (1966); ‘Line profiles of neutron powder-diffraction peaks for structure refinement'. Acta Cryst. 22 151 (1967).
5. Baranyai A and Ruff I, ‘Statistical geometry of molten alkali halides'. J. Chem. Phys. 85 365 (1986).
6. Baranyai A, Geiger A, Gartrell-Mills PR, Heinzinger K, McGreevy RL, Palinkas G and Ruff I, ‘Invariants of spherical harmonics as order parameters in liquids:. Faraday Trans. II83 1335 (1987).
7. Wooten F and Weaire D, ‘Modelling tetrahedrally bonded random networkds by computer'. Solid State Physics 40 1 (1987).
8. Ji-Chen Li and Cowlam N, ‘Interatomic pair potentials for Metallic Alloy Glasses'. Phys. Chem. Liq. 17 29 (1987).
9. Edwards FG, Enderby JE, Howe RA and Page DI, ‘The structure of molten sodium chloride'. J. Phys. C 8 3483 (1975).
10. Locke J, McGreevy RL, Messoloras S, Stewart RJ and Mitchell EWJ, ‘The structure of molten CsCl'. Phil. Mag. B 51 301 (1985).
11. Howe MA, Howells WS and McGreevy RL, ‘Measurement of the structure factor of molten CsCl using pulsed neutron source diffraction'. In preparation (1988).
12. Johnson MW (ed.) ‘Neutron Scattering Data Analysis’ IOP conference series 81 (1986)
13. Johnson MD, Hutchinson P and March NH, ‘Ion-ion oscillatory potentials in liquid metals'. Proc. Roy. Soc. London A282 783 (1964).
14. Levesque D, Weiss JJ and Reatto L, ‘Pair interaction from structural data for dense classical liquids'. Phys. Rev. Lett. 54 451 (1985).
15. Bom M and Green MS. ‘A General Kinetic Theory of Liquids'. Cambridge University Press, Cambridge (1949).
16. Dunn WL, Boffi VC and O'Foghludha F, ‘Applications of the Inverse Monte Carlo Method in Photon Beam Physics'. Nucl. Inst, and Meth. A255 147 (1987).
17. Gerold V and Kern J, ‘The determination of atomic interaction energies in solid solutions from short range order coefficients - an inverse Monte Carlo method'. Acta. Met. 35 393 (1987).
18. Kaplow R, Rowe TA and Averbach BL, ‘Atomic arrangement in vitreous selenium'. Phys. Rev. 168 1068 (1968).