RMC publications 1994-95
372 A complete atomistic model of molten polyethylene from neutron scattering data - A new methodology for
polymer structure
Rosi-Schwartz B, Mitchell GR
Polymer 1994 35 5398-5407
27 A reverse Monte Carlo and RISM integral equation study of liquid nitrogen
Radnai, T.
Mol Phys 1994 83 459
37 A reverse Monte Carlo modelling study of amorphous hydrogenated carbon
Walters, J.K.
Physica Scripta 1995 57 137
42 A reverse Monte Carlo modelling study of diamond like carbon
Rigden, J.S
Procedings-electrochemical society 1995 95-4 44
298 A reverse Monte Carlo study of amorphous hydrogenated carbon.
J.K.Walters, J.S. Rigden and R.J. Newport.
Physica Scripta 1995 T57 137
18 A reverse Monte Carlo study of SiO2 and B2O3 glasses
Bionducci, M
J.Non-Cryst Solids 1994 177 137
324 A search for static-structure changes in disordered systems in connection with
atomic-mobility changes.
P.A. Duine, L. Pusztai and J. Sietsma
Mat. Sci. Eng. 1994 A178 279
32 Application of reverse Monte Carlo simulations to diatomic molecules. Part 1. Non complete radial
distribution functions
Degreve, L.
J.Mol Structure 1995 335 89
333 Atomic mobility and structural relaxation in amorphous PdNiP.
P.A.Duine.
Ph.D. Thesis 1994 University of Delft, The Netherlands.
30 Atomic motion in amorphous Ni21 B19 studied by reverse Monte Carlo and Molecular dynamics simulation
Thijsse, B.J.
Materials Research Society Symposium Proceedings 1994 321 65
122 Atomic scale structures of liquid Sn, Ge and Si by reverse Monte Carlo simulations
Petkov, V.
Phys Cond Matter 1994 6 10885
310 Bulk amorphous Zn41Sb59 alloy studied by neutron diffraction.
O.I. Barkalov, A.I. Kolesnikov, E.G. Ponyatovsky, U. Dahlborg, R.
Delaplane and A. Wannberg.
J.Non-Cryst Solids 1995
33 Calculation of effective interaction potentials from radial distribution functions: A review
Lyubartsev, A.B.
Phys Rev E 1995, 52 3730
321 Calculation of the three-particle contributions to the configurational entropy for two different structural
models of amorphous Si.
O.Gereben, L. Pusztai and A. Baranyai
Phys Rev B 1994 49 13251
311 Characterisation of free volume in atomic models of metallic
glasses
J. Sietsma and B.J. Thijsse
Phys Rev B 1995 52 3248-3255
385 Chemical and topological short range order of amorphous Ti-Si alloys
Pojtinger A, Bellissent R, Lamparter P, Steeb S
Zeitschrift fur Naturforschung Section A - A Journal of Physical Sciences 1995 50 749 - 757
130 Complete atomistic model of molten polyethylene from neutron scattering data: a new methodology for
polymer structure
Rosi-Schwartz, B.
Polymer 1994 35 5398
275 Computer modelling studies of expanded liquid KPb
M. Stolz, R.Winter, W.S. Howells and R.L. McGreevy
J.Phys Cond Matter 1995 7 5733
384 Computer simulation of a Ni65B35 amorphous alloy using the force algorithm
Belashchenko DK, Mendelev MI, Ishmaev SN,
J. Non Cryst Solids 1995 193 623 - 626
297 Density fluctuations in the network structure of AgI doped AgPO3
glass: the origin of the phonon-fracton crossover?
L. Börjesson, R.L. McGreevy and J.D. Wicks.
Physica Scripta 1995 T57 133
256 Determination of the microscopic structure of disordered
materials on the basis of limited Q-space information
L. Pusztai and O. Gereben
Phys Rev B 1995 51 5768
287 Diffuse Neutron Scattering from an in-situ grown alpha-AgI
Single Crystal.
D.A. Keen, V.M. Nield and R.L. McGreevy
Journal of Applied Crystallography 1994 27 393-398
313 Disorder in ice 1h
V.M. Nield, J-C. Li, D.K. Ross and R.W. Whitworth.
Physica Scripta 1995 T57 179
265 Energy-dispersive X-ray diffraction and reverse Monte Carlo study
on liquid mercury
V. Petkov and G. Yunchov
J.Non-Cryst Solids 1995
44 Energy-dispersive X-ray diffraction and reverse Monte Carlo study of liquid Hg
Petkov, V.
J.Non-Cryst Solids 1995 192/193 636
231 Extracting quantitative structural parameters for disordered polymers from neutron scattering data from
disordered polymeric materials
Rosi-Schwartz, B.
Nucl Inst Methods in Phys. Res. A 1995 354 17
118 Forward and reverse electronic energy transport and trapping in solution. II. Numerica…..
Kulak,L.
Chem Phys 1995 191 67
76 Generating optimal structural databases for developing atomistic potentials
Skinner, A.J.
Comp Mat Sci 1995 4 1-9
409 High pressure neutron diffraction on liquid sulfur-hexaflouride and interpretation by statistical-mechanical
theories and computer simulation
Strauss G, Zweier H, Bertagnolli H, Bausenwein T, Todheide K, Chieux P
J Chem Phys 1994 101 662-671
218 High temperature EXAFS experiments on liquid KPb alloys analysed with the reverse Monte Carlo method
Bras, W. Xu, R. Wicks, J.D. Van der Horst, F. Oversluizen, M. McGreevy, R.L. and Van der Lugt, W.
Nucl Inst Methods A 1994 346 394-398
186 Implantation induced structural changes in evaporated amorphous Ge
Peto, G.
Phys Rev B 1994 50 539
45 Interatomic volume in atomic models of as-quenched and relaxed amorphous Pd52Ni32P16
Sietsma, J.
J.Non-Cryst Solids 1995 192/193 585
280 Liquid acetylene
T. Radnai and P. Jedlovszky
J.Phys Chem. 1994 98 5994
278 Liquid formic acid
I. Bako, P. Jedlovszky, G. Palinkas and J.C. Dore
Hydrogen Bond Networks 1994 (eds. J.C. Dore and M-C. Bellisent-Funnel), NATO ASI Series C Vol. 435 119
279 Liquid nitrogen
T. Radnai, I. Bako, P. Jedlovszky and G. Palinkas
Mol Phys. 1994 83 459
274 Local symmetries in liquid Al60Mn40 and Al71Pd19Mn10 alloys
M. Maret, F. Lancon and L. Billard
J.Phys Cond Matter 1994 6 5791
220 Magnetic structure determination of amorphous materials using RMC modeling of neutron diffraction data
Keen, D.A. McGreevy, R.L. Bewley R,I. and Cywinski, R.
Nucl Inst. Methods in Phys. Res. A 1995 354 48-52
14 Mechanism of ionic conduction in Li2SO4 and LiNaSO4: paddle wheel or percolation?
Karlsson, L.
Sol State Ionics 1995 76 301
139 Metallic glasses. Structure of the metallic glass Dy44Ni56 by computer simulation of the experimental pair
correlation functions
Lamparter, P.
J.Non-Cryst Solids 1995 192-192 578
374 Model calculations of the structure of Ni-Nb metallic glasses
Lamparter P
Zeitschrift fur Naturforschung Section A - A Journal of Physical Sciences 1995 50 329 - 336
296 Modelling the structure and ionic conduction of (AgI)x(AgPO3)1-x glasses
J.D. Wicks, L. Börjesson, G.Bushnell-Wye, W.S. Howells and R.L. McGreevy.
Physica Scripta 1995 T57 127
238 Modelling the structure and ionic conduction of amorphous (AgI)x AgPO3)1-x with the RMC method
Wicks, J.
Ionics (1995) 1 153
317 Modelling the structure of a polymer glass Poly(methyl)methacrylate through neutron scattering
experiments
D.J. Ward and G.R. Mitchell
Physica Scripta 1995 T57 153
19 Molecular dynamics applied to a reverse Monte Carlo configuration for amorphous N……
Thijsse, B.J.
Materials Science and Engineering - Lausanne-A, 1994 179/180 438
234 Neutron diffraction study of bulk amorphous Zn41Sb59
Barkolov, O.I.
J.Non-Cryst Solids 1994 176 263
373 Neutron diffraction study of liquid LixSi1-x alloys where x=0.80. 0.65 and 0.57
Dejong PHK, Verkerk P, De Graaf LA, Howells WS, Van der Lugt W
J. Phys. Cond. Matter 1995 7 499 - 516
300 On the Atomic Structure of Amorphous Semiconductors.
L. Pusztai.
Solid State Phenomena 1995 44-46 25
20 On the determination of the structure of metallic glasses by reverse Monte Carlo simulation: comparison
with hard sphere Monte Carlo results
Pusztai, L.
Materials Science and Engineering - Lausanne-A, 1994 179/180 433
121 Pair correlation functions obtained from very short structure factors using reverse Monte Carlo
Pusztai, L.
Acta Physica Hungarica 1994 75 257
277 Partial pair correlation functions of some Ge-Sb
Liquid alloys from single diffraction measurements
L.Pusztai
ACH -- Models in Chemistry 1995 132 99
322 Possible quantitative measures of order/disorder in models of liquid and amorphous structures
O. Gereben, L. Pusztai and A. Baranyai.
J.Phys Cond Matter 1994 6 10939
302 Real-space analysis of pulsed neutron scattering data for tetrahedral amorphous carbon using atomic
models.
K.W.R. Gilkes
J.Non-Cryst Solids 1995
43 Reverse Monte Carlo approach to the structure of amorphous semi conductors
Pusztai, L.
J.Non-Cryst Solids 1995 192/193 640
119 Reverse Monte Carlo for structure of disordered materials
Krishna, P.S.R.
Proc of the DAE Solid State Physics Symposium 1994 37C 258
28 Reverse Monte Carlo simulation of a heteronuclear molecular liquid : structural stud…..
Radnai, T
J.Phys Chem 1994 98 5994
39 Reverse Monte Carlo simulation of amorphous Ni8 0P20 and Ni81B19
Lamparter, P
Physica Scripta 1995 57 72
31 Reverse Monte Carlo simulation of liquid water
Jedlovszky, P.
Chem Phys Letters, 1994 221 183
120 Reverse Monte Carlo simulations of microwave radiative transfer in realistic 3-D Ro……
Petty, G.W.
Conf on Satellite Meteorology and Oceanography 1994 185
26 Reverse Monte Carlo study of structure changes in amorphous Pd52Ni32P16 upon annealing
Duine, P.A.
Phys Rev B 1994 50 13240
257 RMC methods for structural modelling
R.L. McGreevy
Computer Modelling in Inorganic Crystallography', 1995 ed. C.R.A. Catlow in press
221 RMC: Modelling neutron diffraction, X-ray diffraction and EXAFS data simultaneously for amorphous
materials
Wicks, J.D.and McGreevy, R.L.
J.Non-Cryst Solids 1995 192-193 23-27
219 RMC: progress, problems and prospects.
McGreevy, R.L.
Nucl Inst Methods in Phys. Res. A 1995 354 1-16
236 Search for static structure changes in disordered systems in connection with atomic mobility changes
Duine, P.A.
Materials Science and Engineering - A, 1994 178 279
255 Some remarks on the measured structure factor
L. Pusztai, O.Gereben and A. Baranyai
Physica Scripta 1995 T57 69
47 Stochastic models of local structures versus global atomic configurations
Baer, S.
J.Non-Cryst Solids 1995 192/193 106
235 Structural disorder in CuBr
Nield, V.M.
Phys B 1994 202 159
217 Structural disorder: what you can learn from diffuse scattering by RMC modelling
McGreevy, R.L.
Proc of the Third European Powder Diffraction Conference. eds. R. Delhez and E.J. Mittemeijer. Trans Tech
Publications Ltd. Materials Science Forum
1994 166-169 45-46
35 Structural investigations of liquid formic acid. X-ray and neutron diffraction, and reverse Monte Carlo
study
Jedlovszky, P.
Mol Phys 1995 86 87
200 Structure and dynamics of solvated ions: new tendencies of research
Radnai, T.
J.Mol Liquids 1995 65 229
299 Structure and fast-ion conduction in (AgI)x(AgPO3)1-x
glasses.
J.D. Wicks, L. Börjesson, G. Bushnell-Wye, W.S. Howells and R.L.
McGreevy.
Phys Rev Lett 1995 74 726
410 Structure and intermolecular interactions in fluid ammonia - an investigation by neutron diffraction at
high-pressure, statistical -mechanical calculations and computer simulations
Bausenwein T, Bertagnolli H, David A, Goller K, Zweier H, Todweide K, Chieux P
J Chem Phys 1994 101 672 682
40 Structure and relaxation of the metallic glass Pd52Ni32P16 modelled by reverse Monte Carlo simulation
Pusztai, L.
Philosophical Magazine B 1995 71 383
34 Structure investigations of liquid chloroform by statistical-mechanical calculations …
Bertagnolli, H.
Berichte- Bunsengesellschaft fur Physikalische Chemie 1995 99 1168
51 Structure of amorphous metal-metalloid alloys
Williams, B.T.
Phys B 1995 208-209 367
123 Structure of amorphous semi conductors: reverse Monte Carlo studies on ā-C, ā-Si and ā-Ge
Gereben,O.
Phys Rev B 1994 50 14136
371 Structure of covalent liquids
Tosi MP
J. Phys. Cond. Matter 1994 6 A13 - A28
38 Structure of fast ion conducting borate glasses by neutron diffraction and reverse Monte Carlo simulation
Swenson, J.
Phys Scripta 1995 57 117
204 Structure of metallic glasses
Lamparter, P
Physica Scripta 1995 T57 72
46 Structure of the metallic glass Dy44Ni56 by computer simulation of the experimental pair correlation
functions
Lamparter, P.
J.Non-Cryst Solids 1995 192/193 578
332 Studies of hydrogen bonded networks.
I. Bako.
Ph.D. Thesis 1994 Hungarian Academy of Sciences
29 SXD single crystal diffuse scattering - more than just a pretty picture
Nield, V.M.
Nucl Inst Methods in Phys. Res. A 1995 354 30
309 The accuracy of partial radial distribution functions in modelling
metallic glasses with reverse Monte Carlo
L.D. van Ee, J. Sietsma and B.J.Thijsse.
J.Non-Cryst Solids 1995
408 The interplay between the chain stiffness and the local structure of flourine-containing polymers in the
melt
Rosischwartz B, Mitchell GR
Phys Scripta 1995 57 161-167
237 The interpretation of single-crystal diffuse scattering using reverse Monte Carlo modelling.
Nield, V. M., Keen, D. A. & McGreevy, R. L.
Acta Cryst. 1995 A51, 763-771
264 The structural properties of liquid and quenched sulphur. II
M.Stolz, R. Winter, W.S. Howells, R.L. McGreevy and P.A. Egelstaff
J.Phys Cond Matter 1994 6 3619
288 The Structure of Ice Ih from analysis of single crystal neutron
diffuse scattering
V.M. Nield and R.W. Whitworth
J.Phys Cond Matter 1995 7 8259-8271
276 The structure of liquid AlCl3 and structural modifications in AlCl3-MCl (M = Li,Na) molten salt mixtures
Y.S. Badyal, D.A. Allen and R.A.Howe
J.Phys Cond Matter 1994 6 10193
301 The structure of silica glass investigated by the reverse Monte Carlo method.
G. Navarra, M. Bionducci, F. Buffa, G. Licheri and G. Piccaluga
J.Non-Cryst Solids 1995
36 X-ray, electron and neutron diffraction. RMC: modelling neutron diffraction, X-ray diffraction and EXAFS
data simultaneously for amorphous materials
Wicks, J.D
J.Non-Cryst Solids 1995 192-192 23