Welberry, Professor T. Richard MA Cambridge PhD
London - Disordered Materials
Folmer JCW, Withers RL, Welberry TR, Martin JD Coupled
orientational and displacive degrees of freedom in the high-temperature
plastic phase of the carbon tetrabromide
α-CBr4. Phys. Rev. B: Condens. Matter
Mater. Phys. (2008), 77(14), 144205/1-10. http://dx.doi.org/10.1103/PhysRevB.77.144205
Goossens DJ, Heerdegen AP, Welberry TR X-ray diffuse
scattering from HMTA: analysis via a Monte Carlo model. Acta
Crystallogr., Sect. B: Struct. Sci. (2008), 64(4), 456-465.
http://dx.doi.org/10.1107/S0108768108010604
Welberry TR, Goossens DJ The interpretation and analysis
of diffuse scattering using Monte Carlo simulation methods. Acta
Crystallogr., Sect. A: Found. Crystallogr. (2008), 64(1), 23-32.
http://dx.doi.org/10.1107/S0108767307041918
Welberry TR, Goossens DJ Different models for the polar
nanodomain structure of PZN and other relaxor ferroelectrics. J.
Appl. Crystallogr. (2008), 41(3), 606-614. http://dx.doi.org/10.1107/S0021889808012491
Goossens DJ, Heerdegen AP, Welberry TR, Beasley AG The
molecular conformation of Ibuprofen,
C13H18O2, through X-ray diffuse
scattering. Int. J. Pharm. (2007), 343(1-2), 59-68. http://dx.doi.org/10.1016/j.ijpharm.2007.04.023
Goossens D J, Welberry T R, Heerdegen A P, Gutmann M J
Simultaneous fitting of X-ray and neutron diffuse scattering data.
Acta Crystallogr., Sect. A: Found. Crystallogr. (2007), 63(1),
30-35. http://dx.doi.org/10.1107/S0108767306046976
Hutchison WD, Goossens DJ, Saensunon B, Stewart GA, Avdeev
M, Nishimura K Magnetic order studies of ErNiAl4. In
Proceedings of the 31st Australian Institute of Physics Condensed
Matter and Materials Meeting (2007) Paper #10. http://www.aip.org.au/wagga2007/2007_10.pdf
Liu Y, Withers RL, Welberry TR Superstructure phase of
microwave dielectric
(Bi1.5Zn0.5)(Ti1.5Nb0.5)O7
pyrochlore. In Proceedings of the 31st Australian Institute of
Physics Condensed Matter and Materials Meeting (2007) Paper #13.
http://www.aip.org.au/wagga2007/2007_13.pdf
Thomas LH, Welberry TR, Goossens DJ, Heerdegen AP, Gutmann
MJ, Teat SJ, Lee PL, Wilson CC, Cole JM Disorder in
pentachloronitrobenzene, C6Cl5NO2: a
diffuse scattering study. Acta Crystallogr., Sect. B: Struct.
Sci. (2007), 63(4), 663-673. http://dx.doi.org/10.1107/S0108768107024305
Welberry TR, Sing B Deformed Penrose tilings.
Philos. Mag. (2007), 87(18-21), 2877-2886. http://dx.doi.org/10.1080/14786430701364978
Wilson KF, Goossens DJ Improving student engagement in
3rd year condensed matter physics: a case study. In Proceedings of
the 31st Australian Institute of Physics Condensed Matter and Materials
Meeting (2007) Paper #32. http://www.aip.org.au/wagga2007/2007_32.pdf
Goossens D J, Hagen M E, Wu X, Welberry T R The
structural phase transition in deuterated benzil
C14D10O2. In Proceedings of the
30th Australian Institute of Physics Condensed Matter and Materials
Meeting (2006), WP14. http://www.aip.org.au/wagga2006/WP14_Goossens.pdf
Goossens D J, Heerdegen A P, Welberry T R, Gutmann M J
Monte Carlo analysis of neutron diffuse scattering data. Physica
B (2006), 385-386(2), 1352-1354. http://dx.doi.org/10.1016/j.physb.2006.06.075
Goossens D J, Welberry T R, Hagen M E, Fernandez-Baca J A
Structural phase transition in deuterated benzil
C14D10O2: neutron inelastic
scattering. Phys. Rev. B (2006), 73(13), 134116/1-7.
http://dx.doi.org/10.1103/PhysRevB.73.134116
Hutchison W D, Goossens D J, Nishimura K, Mori K, Isikawa Y,
Studer A J Magnetic structure of TbNiAl4. J. Magn.
Magn. Mater. (2006), 301(2), 352-358. http://dx.doi.org/10.1016/j.jmmm.2005.07.012
James M, Morales L, Wallwork K, Avdeev M, Withers R,
Goossens D Structure and magnetism in rare earth strontium-doped
cobaltates. Physica B (2006), 385-386(1), 199-201. http://dx.doi.org/10.1016/j.physb.2006.05.244
Liu Y, Withers R L, Welberry T R, Wang H, Du H Crystal
chemistry on a lattice: the case of BZN and BZN-related pyrochlores.
J. Solid State Chem. (2006), 179(7), 2141-2149. http://dx.doi.org/10.1016/j.jssc.2006.04.017
Robinson R A, Goossens D J, Torikachvili M S, Kakurai K,
Okumura H A quantum multi-critical point in
CeCu6–xAux. Physica
B (2006), 385-386(1), 38-40. http://dx.doi.org/10.1016/j.physb.2006.05.095
Sing B, Welberry T R Deformed model sets and distorted Penrose tilings.
Z. Kristallogr. (2006), 221(9), 621-634.
http://dx.doi.org/10.1524/zkri.2006.221.9.621
Welberry T R, Goossens D J, Gutmann M J Chemical origin
of nanoscale polar domains in
PbZn1/3Nb2/3O3. Phys. Rev. B
(2006), 74(22), 224108/1-11. http://dx.doi.org/10.1103/PhysRevB.74.224108
Goossens, D.J., Welberry, T.R.,
Heerdegen, A.P., Edwards, A.J. Modelling disorder in
3,3’-dimethoxybenzil, C16H14O4.
Z. Kristallogr. (2005), 220(12), 1035-1042. http://dx.doi.org/10.1524/zkri.2005.220.12_2005.1035
Goossens, D.J., Wilson, K.F., James, M.
Structure and magnetism in
Ho1–xSrxCoO3-δ.
J. Phys. Chem. Solids (2005), 66(1), 169-175. http://dx.doi.org/10.1016/j.jpcs.2004.09.003
Goossens, D.J., Wu, X., Prior, M.
Structural phase transition in d-benzil characterised by capacitance
measurements and neutron powder diffraction. Solid State
Commun. (2005), 136(9-10), 543-545. http://dx.doi.org/10.1016/j.ssc.2005.09.017
James, M., Wallwork, K.S., Withers, R.L., Goossens, D.J., Wilson, K.F.,
Horvat, J., Wang, X.L., Colella, M.
Structure and magnetism in the oxygen-deficient perovskites
Ce1-xSrxCoO3-δ
(x ≥ 0.90). Mater. Res. Bull.(2005), 40(8),
1415-1431. http://dx.doi.org/10.1016/j.materresbull.2005.03.025
Welberry, T.R. Diffuse scattering
from organic crystals. Mol. Cryst. Liq. Cryst. (2005), 440,
1-21.
http://journalsonline.tandf.co.uk/openurl.asp?genre=article&id=doi:10.1080/15421400590957576
Welberry, T.R. Diffuse
scattering. Z. Kristallogr. (2005), 220(12), 993. http://dx.doi.org/10.1524/zkri.2005.220.12_2005.993
Welberry, T.R., Goossens, D.J.,
Heerdegen, A.P., Lee, P.L. Problems in measuring diffuse X-ray
scattering. Z. Kristallogr. (2005), 220(12), 1052-1058.
http://dx.doi.org/10.1524/zkri.2005.220.12_2005.1052
Welberry, T.R., Gutmann, M.J., Woo, H.,
Goossens, D.J., Xu, G., Stock, C., Chen, W., Ye, Z.-G.
Single-crystal neutron diffuse scattering and Monte Carlo study of the
relaxor ferroelectric PbZn1/3Nb2/3O3 (PZN).
J. Appl. Crystallogr. (2005), 38(4), 639-647. http://dx.doi.org/10.1107/S0021889805015918
Wilson K F, Goossens D J, James M Magnetic properties of
Gd1–xSrxCoO3-δ
(x = 0.67, 0.90 and 0.95). In Proceedings of the 16th
Australian Institute of Physics Congress (2005), CMMSP PWE 112/1-4.
http://aipcongress2005.anu.edu.au/pdf/PAPERS-3.pdf
Withers, R.L., Welberry, T.R., Pring,
A., Tenailleau, C., Liu, Y.
'Soft' phonon modes, structured diffuse
scattering and the crystal chemistry of Fe-bearing sphalerites. J.
Solid State Chem. (2005), 178(3), 655-660. http://dx.doi.org/10.1016/j.jssc.2004.12.011
Goossens, D.J., Wilson, K.F.,
James, M. Magnetic properties of Dy1-xSrxCoO3-δ
(x = 0.67 to 0.95). In Proceedings of the 28th Annual
Condensed Matter and Materials Meeting (2004), pp. WP17/1–3,
http://www.aip.org.au/wagga2004/
Goossens, D.J., Wilson, K.F.,
James, M., Studer, A.J., Wang, X.L. Structural and magnetic
properties in Y0.33Sr0.67CoO2.79.
Phys. Rev. B (2004), 69(13), 134411/1–6.
Goossens, D.J., Robinson, R.A.,
Telling, M.T.F. The antiferromagnetic structure of BaPrO3.
Physica B (2004), 352(1–4), 105–110.
Hicks, T.J, Goossens, D.J., Harker,
S.J., Mulders, A.M., Kennedy, S.J. Spin resolved neutron
spectroscopy from the heavy Fermion compound CeCu6.
Physica B (2004), 345, 86–88.
James, M., Cassidy, D., Goossens,
D.J., Withers, R.L. The phase diagram and tetragonal
superstructures of the rare earth cobaltate phases Ln1–xSrxCoO3–δ
(Ln = La3+, Pr3+, Nd3+, Sm3+,
Gd3+, Y3+, Ho3+, Dy3+,
Er3+, Tm3+ and Yb3+). J.
Solid State Chem. (2004), 177(6), 1886–1895.
Kreisel, J., Bouvier, P., Dkhil,
B., Chaabane, B., Glazer, A.M., Thomas, P. A., Welberry, T.R.
Effect of high pressure on the relaxor ferroelectrics Na1/2Bi1/2TiO3
(NBT) and PbMg1/3Nb2/3O3
(PMN). Ferroelectrics (2004), 302, 293–298.
Ting, V., Liu, Y., Norén,
L., Withers, R.L., Goossens, D.J., James, M., Ferraris, C. A
structure, conductivity and dielectric properties investigation of
A3CoNb2O9 (A =
Ca2+, Sr2+, Ba2+) triple
perovskites. J. Solid State Chem. (2004), 177(12),
4428–4442.
Welberry, T.R. Diffuse
scattering X-ray scattering and models of disorder. IUCr
Monographs on Crystallography, Vol. 16, Oxford University Press:
Oxford, UK (2004), pp. v–266.
Welberry, T.R. The importance of
multisite correlations in disordered structures. Ferroelectrics
(2004), 305, 117–122.
Welberry, T.R. Disorder and
diffuse scattering. In Encyclopedia of Supramolecular
Chemistry, Vol. 1, Marcel Dekker: New York (2004) pp. 457–466.
Withers, R.L., Welberry, T.R.,
Larsson, A.-K., Liu, Y., Norén, L., Rundlöf, H., Brink,
F.J. Local crystal chemistry, induced strain and short range order
in the cubic pyrochlore
(Bi1.5-αZn0.5-β)(Zn0.5-γNb1.5-δ)O(7–1.5α–β–γ–2.5δ)
(BZN). J. Solid State Chem. (2004), 177(1), 231–244.
Withers,
R.L., Brink; F.J., Norén, L., Welberry, T.R., Lui,
Y. Local strain, structured diffuse scattering and
oxygen/fluorine ordering in transition metal oxyfluorides.
Ferroelectrics (2004), 305, 123–126.
Kreisel, J., Bouvier, P., Dkhil, B., Thomas, P.A., Glazer,
A.M., Welberry, T.R., Chaabane, B., Mezouar, M. High-pressure X-ray
scattering of oxides with a nano-scaled local structure: application to
Na1/2Bi1/2TiO3. Phys. Rev. B
(2003), 68, 014113/1-7.
Welberry, T.R., Goossens, D.J., David, W.I.F., Gutmann,
M.J., Bull, M.J., Heerdegen, A.P. Diffuse neutron scattering
from in benzil, C16D10O2, using the
time-of-flight Laue technique. J. Appl. Crystallogr. (2003),
36, 1440-1447.
Welberry, T.R., Goossens, D.J., Haeffner, D.R., Lee, P.L.,
Almer, J. High-energy diffuse scattering on the 1-ID beamline at the
Advanced Photon Source. J. Synchrotron Rad. (2003), 10,
284-286.
Welberry, T.R., Heerdegen, A.P. Diffuse X-ray
scattering from 4,4'-dimethoxybenzil,
C16H14O4: analysis via automatic
refinement of a Monte Carlo model. Acta Crystallogr., Sect. B
(2003), 59, 760-769.
Withers, R.L., Welberry, T.R., Brink, F.J., Norén,
L. Oxygen/fluorine ordering, structured diffuse scattering and the
local crystal chemistry of
K3MoO3F3. J. Solid State
Chem. (2003), 170(2), 211-220.
Goossens, D.J., Cussen, L.D. Optimising neutron
polarizers - measuring the flipping ratio and related quantities.
Nucl. Instrum. Methods Phys. Res. (2002), A481, 475-492.
Honal, M., Welberry, T.R. Monte Carlo study of the
quasicrystal-to-crystal transformation using an approach based on the
gummelt covering. Z. Kristallogr. (2002), 217, 109-118.
Welberry, T.R. Analysis of single-crystal diffuse X-ray
scattering via automatic refinement of a Monte Carlo Model. From
Semiconductors to Proteins: Beyond the average structure, (Fundamental
Materials Research, Eds Billinge, S.J.L., and Thorpe, M.F.)
pp 1-22, Kluwer Academic/Plenum Publishers: New York (2002).
Welberry, T.R., Honal, M. 'Size-effect'-like
distortions in quasicrystalline structures. Z. Kristallogr.
(2002), 217, 422-426.
Goossens, D.J., Welberry, T.R. Monte Carlo study of
disorder in HMTA. Comput. Phys. Commun. (2001), 142, 387-390.
Large, D.J., Fortey, N.J., Milodowski, A.E., Christy,
A.G., Dodd, J. Petrographic observations of iron, copper and zinc
sulfides in freshwater canal sediment. J. Sediment Res.
(2001), 71, 61-69.
Welberry, T.R. Diffuse X-ray scattering and strain
effects in disordered crystals. Acta Crystallogr., Sect.
A (2001), 57, 244-255.
Welberry, T.R., Goossens, D.J., Edwards, A.J., David,
W.I.F. Diffuse X-ray scattering from benzil,
C14H10O2: analysis via automatic
refinement of a Monte Carlo model. Acta Crystallogr.,
Sect. A. (2001), 57, 101-109.
Wilson, K.F., Goossens, D.J. A computational model of
gastro-intestinal motility. Comput. Phys. Commun. (2001),
142, 105-108.
Welberry, T.R. Diffuse X-ray scattering and disorder in
p-methyl-N-(p-chlorobenzylidene)aniline,
C14H12ClN (ClMe): analysis via automatic
refinement of a Monte Carlo model. Acta Crystallographica,
Section A, 56, 348-358 (2000).
Welberry, T.R. and Christy A.G. About short- and
long-range orderings in wüstites, Fe1-xO: reply to comments of C. Carel and J. R.
Gavarri. Physical Chemistry Minerals, 26, 81-82
(1999).
Withers, R.L., Proffen, Th., and Welberry, T.R.
Inter-sublattice ordering correlations and the geometrical locus
approach to localized diffuse scattering. Philosophical Magazine
A, 79, 753-762 (1999).
Christy, A.G. and Larsson, A.-K. Computer simulation of
modulated structures and diffuse scattering in B8-type
(Co,Ni,Cu)1+x(Ge,Sn) phases.
Journal of Solid State Chemistry, 135, 269-281 (1998).
Christy, A.G. and Larsson, A.-K. Simulation of
sinusoidal diffuse scattering loci in the non-stoichiometric B8-type
alloy phases (Co, Ni)1+x(Ge, Sn).
Journal of Solid State Chemistry, 140, 402-416 (1998).
Mayo, S.C., Welberry, T.R., Bown, M. and Tarr, A. Order
and disorder in para-dialkylbenzene/urea inclusion compounds.
Journal of Solid State Chemistry , 141, 437-451, (1998).
Proffen, Th. and Welberry, T.R. Analysis of diffuse
scattering from single crystals the Reverse Monte Carlo Technique. II.
The defect structure of calcium-stabilized zirconia. Journal of
Applied Crystallography, 31, 318-326, (1998).
Proffen, Th. and Welberry, T.R. Analysis of diffuse
scattering from single crystals using Monte Carlo methods. Phase
Transitions, 67, 373-397, (1998).
Welberry, T.R. and Christy, A.G. About short- and
long-range orderings in wüstites, Fe1-xO: reply to comments of C. Carel and J.R.
Gavarri. Physics and Chemistry of Minerals, 26, 81-82
(1998).
Welberry, T.R., Proffen, Th. and Bown, M. Analysis of
single-crystal diffuse x ray scattering via automatic
refinement of a Monte Carlo model. Acta Crystallographica,
A54, 661-674, (1998).
Welberry, T.R. and Proffen, Th. Analysis of diffuse
scattering from single crystals the Reverse Monte Carlo
Technique. I. Comparison with Direct Monte Carlo. Journal of
Applied Crystallography, 31, 309-317, (1998).
Welberry, T.R. The recording and interpretation of
diffuse x-ray scattering. Proceedings of the Conference on
Local Structure from Diffraction, (Fundamental Materials
Research, Eds S.J.L. Billinge and M.F. Thorpe) pp 35-58, Plenum
Press: New York and London (1998).
Welberry, T.R. and Mayo, S.C. Diffuse x-ray scattering
and short-range order in thallium antimonyl germanate,
TlSbOGeO4. Journal of Applied
Crystallography, 31, 154-162, (1998).
Proffen, Th. and Welberry, T.R. An improved method for
analysing single crystal diffuse scattering using the Reverse Monte
Carlo technique. Zeitschrift für Kristallographie,
212, 764-767 (1997).
Proffen, Th. and Welberry, T.R. FOURDEM: a
demonstration program for Fourier synthesis and other crystallographic
concepts. Journal of Applied Crystallography, 30, 567
(1997).
Proffen, Th. and Welberry, T.R. Analysis of diffuse
scattering via Reverse Monte Carlo technique: a systematic
investigation. Acta Crystallographica, A53, 202-216
(1997).
Proffen, Th. and Neder, R.B. DISCUS: a program
for diffuse scattering and defect structure simulations. Journal
of Applied Crystallography, 30, 171-175 (1997).
Neder, R.B., Proffen, Th. Teaching diffraction with the
aid of computer simulations. Journal of Applied
Crystallography, 29, 727-735 (1996).
Urusov, V.S., Khisina, N.R., Christy, A.G.
Quasi-equilibrium behaviour of TiO2-SnO2solid
solutions at high pressures and temperatures: the influence of
non-hydrostaticity. European Journal of Mineralogy, 8,
791-804 (1996).
Welberry, T.R., Butler, B.D. Local structural
information of mullite obtained from diffuse x-ray scattering.
Journal of the European Ceramic Society, 16, 187-193
(1996).
Welberry, T.R., Mayo, S.C. Diffuse x-ray scattering and Monte Carlo study of guest-host interactions in urea inclusion compounds. Journal of Applied Crystallography, 29, 353-364 (1996).