RMC
The links and bibliography references below
form a very subjective selection.
Unfortunately, the Studsvik web sites are not
available any more as the facility was closed done. Now ISIS
has an RMC-related web site, but as far as I know it does not contain collected
references of RMC.
Suggestions
for additional websites or papers are warmly welcome!
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Links
to RMC-related websites:
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The method (initial
description and recent reviews)
- McGreevy, R.L., Pusztai, L. (1988) Reverse
Monte Carlo simulation: a new technique for the determination of
disordered structures, Molec. Simul. 1, 359- 367.
- Pusztai, L. (1998) Structural modelling
using the reverse Monte Carlo technique: Application to amorphous
semiconductors J. Non-Cryst. Sol. 227-230, 88-95
- McGreevy, R.L. (2001) Reverse Monte Carlo
modelling, J. Phys.: Cond. Matter 13, R877-R913.
- Evrard, G., Pusztai, L.
(2005) Reverse Monte Carlo modeling of
the structure of disordered materials with RMC++: a new implementation of
the algorithm in C++. J. Phys.: Cond. Matter.
17, S1-S13.
- Gereben, O., Jóvári, P., Temleitner, L., Pusztai, L. (2007) A new version of the RMC++ Reverse Monte Carlo
programme, aimed at investigating the structure of covalent glasses,
Journal of Optoelectronics and Advanced Materials, 9, 3021-3027.
Some ´theoretical´
considerations
- Howe, M.A., McGreevy, R.L. (1991) Determination
of three body correlations in liquids by RMC modelling of diffraction
data. I. Theoretical tests, Phys. Chem. Liq. 24,
1-12.
- Pusztai, L., Gereben, O., Baranyai, A. (1994) Some remarks on the measured structure factor, Physica
Scripta, T57, 69-71.
Fixed neighbours contraints
- Pusztai, L., McGreevy, R.L. (1997) RMC:
introduction of a new type of constraint for molecular systems and network
glasses, Studsvik NFL Annual Report for 1996, OTH :21.
- Jóvári, P., Mészáros, Gy., Pusztai, L., Sváb, E. (2001) The structure of liquid tetrachlorides CCl4, SiCl4,
GeCl4, TiCl4, VCl4 and SnCl4, J. Chem. Phys. 114,
8082-8090.
Studies of specific systems
- McGreevy, R.L., Pusztai, L. (1990) The
structure of molten salts, Proc. Roy. Soc. London A 430,
241-260.
- Howe, M.A., McGreevy, R.L., Pusztai, L., Borzsák, I. (1993) Determination of 3 body correlations in simple liquids
by RMC modelling of diffraction data. 2. Elemental liquids, Phys.
Chem. Liq. 25, 205-241.
- Gereben, O. and L Pusztai, L. (1994) Structure
of amorphous semiconductors: Reverse Monte Carlo studies on a-C, a-Si and
a-Ge, Phys. Rev. B, 50, 14136- 14143.
- Pusztai, L., McGreevy, R.L. (1997) The
structure of liquid CCl4, Mol. Phys. 90, 533-540.
- Pusztai, L. (1999) On the partial pair
correlation functions of liquid water, Phys. Rev. B 60,
11851-11854.
RMC on powder diffraction
data
- Mellergård, A., McGreevy, R.L. (1999) Reverse
Monte Carlo modelling of neutron powder diffraction data, Acta
Cryst. A55, 783-789.
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Last modified 22/06/2010 by Orsolya Gereben
(comments welcome!)