Areas of expertise

• Topology 010112
• Nanoscale Characterisation 100712
• Functional Materials 091205
• Soft Condensed Matter 020405
• Mineralogy And Crystallography 040306
• Pharmaceutical Sciences 111504
• Synchrotrons; Accelerators; Instruments And Techniques 029904
• Metals And Alloy Materials 091207
• Combinatorics And Discrete Mathematics (Excl. Physical Combinatorics) 010104
• Surfaces And Structural Properties Of Condensed Matter 020406
• Complex Physical Systems 029902
• Solid State Chemistry 030206
• Structural Chemistry And Spectroscopy 030606
• Physical Organic Chemistry 030505
• Electronic And Magnetic Properties Of Condensed Matter; Superconductivity 020404
• Condensed Matter Characterisation Technique Development 020401
• Ceramics 091201
• Physical Chemistry (Incl. Structural) 0306
• Materials Engineering 0912
• Medicinal And Biomolecular Chemistry 0304
• Theoretical And Computational Chemistry 0307

Publications

• Welberry, T & Gorbitz, C 2019, 'Simulation of diffuse scattering in DL-norleucine', Acta Crystallographica Section B: Structural Science, vol. 75, pp. 393-405.
• Pasciak, M, Ondrejkovic, P, Kulda, J et al. 2019, 'Local structure of relaxor ferroelectric SrxBa1-xNb2O6 from a pair distribution function analysis', Physical Review B, vol. 99, no. 10, pp. 1-12.
• Pasciak, M, Welberry, T, Kulda, J et al. 2018, 'Dynamic Displacement Disorder of Cubic BaTiO3', Physical Review Letters, vol. 120, no. 16, pp. 1-6.
• Pasciak, M, Welberry, T & Hlinka, J 2016, 'Phase competition and effect of chemical ordering in ferroelectric relaxor PbSc_0.5Nb_0.5O₃ from first principles', Phase Transitions: a multinational journal, vol. 89, no. 7-8, pp. 777-784pp.
• Welberry, T & Goossens, D 2016, 'Interpretation of diffuse scattering in the high-T-c superconductor HgBa2CuO4+delta', IUCrJ, vol. 3, pp. 309-318.
• Welberry, T & Weber, T 2016, 'One hundred years of diffuse scattering', Crystallography Reviews, vol. 22, no. 1, pp. 2-78.
• Whitfield, R, Goossens, D & Welberry, T 2016, 'Total scattering and pair distribution function analysis in modelling disorder in PZN (PbZn1/3Nb2/3O3)', IUCrJ, vol. 3, no. 1, pp. 20-31.
• Zhang, N, Pasciak, M, Glazer, A et al. 2015, 'a neutron diffuse scattering study of pbzro3 and zr-rich pbzr1-xtixo3', Journal of Applied Crystallography, vol. 48, no. 6, pp. 1637-1644pp.
• Pasciak, M, Welberry, T, Heerdegen, A et al. 2015, 'Atomistic modeling of diffuse scattering in cubic PbZrO₃', Phase Transitions: a multinational journal, vol. 88, no. 3, pp. 273-282.
• Welberry, T 2015, 'Hexagonal paracrystals', Zeitschrift fur Kristallographie - Crystaliine Materials, vol. 230, no. 1, pp. 69-74.
• Welberry, T 2014, 'One hundred years of diffuse X-ray scattering', Metallurgical and Materials Transactions A, vol. 45A, no. 1, pp. 75-84.
• Hudspeth, J, Goossens, D & Welberry, T 2014, 'Approaches to modelling thermal diffuse scattering in triglycine sulfate, (NH₂CH₂COOH)₃·H₂SO₄', Journal of Applied Crystallography, vol. 47, no. 2, pp. 544-551.
• Welberry, T, Goossens, D & Heerdegen, A 2014, 'Local order in wüstite using a pair distribution function (PDF) approach', Mineralogical Magazine, vol. 78, no. 2, pp. 373-385.
• Whitfield, R, Welberry, T, Pasciak, M et al. 2014, 'Use of bond-valence sums in modelling the diffuse scattering from PZN (PbZn_1/3Nb_2/3O₃)', Acta Crystallographica Section A: Foundations of Crystallography, vol. 70, no. 6, pp. 626-635.
• Welberry, T & Goossens, D 2014, 'Diffuse scattering and partial disorder in complex structures', IUCrJ, vol. 1, no. 6, pp. 550-562.
• Goossens, D & Welberry, T 2014, 'Nanoscale order in molecular systems from single crystal diffuse scattering', Australian Journal of Chemistry, vol. 67, no. 12, pp. 1807-1812.
• Welberry, T, Heerdegen, A & Carr, P 2013, 'Reverse Monte Carlo Study of Diffuse Scattering from a Frustrated Protein System', in Siegbert Schmid, Ray L. Withers, Ron Lifshitz (ed.), Aperiodic Crystals, Springer, Heidelberg, pp. 243-251.
• Pasciak, M, Heerdegen, A, Goossens, D et al. 2013, 'Assessing local structure in PbZn_1/3Nb_2/3O₃ using diffuse scattering and reverse Monte Carlo refinement', Metallurgical and Materials Transactions A, vol. 44A, no. 1, pp. 87-93.
• Hudspeth, J, Goossens, D, Welberry, T et al. 2013, 'Diffuse scattering and the mechanism for the phase transition in triglycine sulphate', Journal of Materials Science, vol. 48, no. 19, pp. 6605-6612.
• Welberry, T, Chan, E, Goossens, D et al. 2012, 'Diffuse Scattering as an Aid to the Understanding of Polymorphism in Pharmaceuticals', Metallurgical and Materials Transactions A, vol. 43A, no. 5, pp. 1434-1444.
• Pasciak, M, Welberry, T, Kulda, J et al. 2012, 'Polar nanoregions and diffuse scattering in the relaxor ferroelectric PbMg_1/3Nb_{2 3}O₃', Physical Review B: Condensed Matter and Materials, vol. 85, no. 22, pp. 224109/1-9.
• Welberry, T, Heerdegen, A, Goldstone, D et al. 2011, 'Diffuse scattering resulting from macromolecular frustration', Acta Crystallographica Section B: Structural Science, vol. 67, no. 6, pp. 516-524.
• Kruger, H, Stober, S, Welberry, T et al. 2011, 'Stacking faults and superstructures in a layered brownmillerite', Acta Crystallographica Section B: Structural Science, vol. 67, no. Pt 6, pp. 476-485.
• Welberry, T & Pasciak, M 2011, 'Monte Carlo and molecular dynamics simulation of disorder in the Ag⁺ fast ion conductors Pearceite and Polybasite', Metallurgical and Materials Transactions A, vol. 42A, no. 1, pp. 6-13.
• Pasciak, M & Welberry, T 2011, 'Diffuse scattering and local structure modeling in ferroelectrics', Zeitschrift fur Kristallographie, vol. 226, no. 2, pp. 113-125.
• Goossens, D, Heerdegen, A, Chan, E et al 2011, 'Monte Carlo modeling of diffuse scattering from single crystals: the program ZMC', Metallurgical and Materials Transactions A, vol. 42A, no. 1, pp. 23-31.
• Stachurski, ZH & Welberry, TR 2011, 'Geometry and Topology of Structure in Amorphous Solids', Metallurgical and Materials Transactions A, vol. 42A, no. 1, pp. 14-22.
• Chan, E, Welberry, T, Heerdegen, A et al. 2010, 'Diffuse scattering study of aspirin forms (I) and (II).', Acta Crystallographica Section B: Structural Science, vol. 66, no. 6, pp. 696-707.
• Goossens, D & Welberry, T 2010, 'Approaches to modeling diffuse scattering from molecular crystals: para-terphenyl (C₁₈H₁₄)', Metallurgical and Materials Transactions A, vol. 41A, no. 5, pp. 1119-1129.
• Welberry, T, Goossens, D, Withers, R et al. 2010, 'Monte Carlo simulation study of diffuse scattering in PZT, Pb(Zr,Ti)O₃', Metallurgical and Materials Transactions A, vol. 41A, no. 5, pp. 1110-1118.
• Chan, E & Welberry, T 2010, 'Precursor effects of the orthorhombic to monoclinic phase transition in benzocaine form (II) revealed by X-ray diffuse scattering', Acta Crystallographica Section B: Structural Science, vol. 66, no. 2, pp. 260-270.
• Welberry, T, Baba-Kishi, K & Withers, R 2010, 'Pb displacements in Pb(ZrTi)O₃ (PZT)', Key Engineering Materials, vol. 421-422, pp. 389-394.
• Welberry, T, Chan, E, Goossens, D et al. 2010, 'Use of Monte Carlo simulation for the interpretation and analysis of diffuse scattering', Phase Transitions: a multinational journal, vol. 83, no. 2, pp. 80-98.
• Chan, E, Welberry, T, Goossens, D et al. 2010, 'A refinement strategy for Monte Carlo modelling of diffuse scattering from molecular crystal systems', Journal of Applied Crystallography, vol. 43, no. 4, pp. 913-915.
• Huq, A, Welberry, T & Bozin, E 2010, 'Advances in Structural Studies of Materials using Scattering Probes', MRS Bulletin, vol. 35, no. 7, pp. 520-530.
• Lee, C, Stachurski, ZH & Welberry, TR 2010, 'The geometry, topology and structure of amorphous solids', Acta Materialia, vol. 58, no. 2, pp. 615-625.
• Chan, E, Welberry, T, Goossens, D et al. 2009, 'Single-crystal diffuse scattering studies on polymorphs of molecular crystals. I. The room-temperature polymorphs of the drug benzocaine', Acta Crystallographica Section B: Structural Science, vol. 65, no. 3, pp. 382-392.
• Goossens, D & Welberry, T 2009, 'Diffuse Scattering from Molecular Crystals', in Barabash, R. I., Ice, G. E., Turchi, P E. A. (ed.), Diffuse Scattering and the Fundamental Properties of Materials, Momentum Press, New Jersey, pp. 181-210.
• Withers, R, Liu, Y & Welberry, T 2009, 'Structured diffuse scattering and the fundamental 1-d dipolar unit in PLZT (Pb_{1- y}La_y)_{1- α}(Zr_{1- x}Ti_x)_{1- β}O₃(7.5/65/35 and 7.0/60/40) transparent ferroelectric ceramics', Journal of Solid State Chemistry, vol. 182, no. 2, pp. 348-355.
• Goossens, D, Beasley, A, Welberry, T et al. 2009, 'Neutron diffuse scattering in deuterated para-terphenyl, C₁₈D₁₄', Journal of Physics: Condensed Matter, vol. 21, no. 12, pp. 124204/1-10.
• Chan, E, Rae, A & Welberry, T 2009, 'On the polymorphism of benzocaine; a low-temperature structural phase transition for form (II)', Acta Crystallographica Section B: Structural Science, vol. 65, no. 4, pp. 509-515.
• Withers, R, Noren, L, Welberry, T et al. 2008, 'A composite modulated structure mechanism for Ag⁺ fast ion conduction in pearceite and polybasite mineral solid electrolytes', Solid State Ionics, vol. 179, no. 37, pp. 2080-2089.
• Beasley, A, Welberry, T, Goossens, D et al. 2008, 'A room-temperature X-ray diffuse scattering study of form (II) of the trimorphic molecular system p-(N-methylbenzylidene)-p-methylaniline', Acta Crystallographica Section B: Structural Science, vol. B64, no. 5, pp. 633-643.
• Welberry, T 2008, 'Diffuse scattering and Monte Carlo studies of relaxor ferroelectrics', Metallurgical and Materials Transactions A, vol. 39, no. 13, pp. 3170-3178.
• Welberry, T & Goossens, D 2008, 'Different Models for the Polar Nanodomain Structure of PZN and Other Relaxor Ferroelectrics', Journal of Applied Crystallography, vol. 41, no. 3, pp. 606-614.
• Baba-Kishi, K, Welberry, T & Withers, R 2008, 'An electron diffraction and Monte Carlo simulation study of diffuse scattering in Pb(Zr,Ti)O₃', Journal of Applied Crystallography, vol. 41, no. 5, pp. 930-938.
• Folmer, J, Withers, R, Welberry, T et al. 2008, 'Coupled orientational and displacive degrees of freedom in the high-temperature plastic phase of the carbon tetrabromide α-CBr₄', Physical Review B: Condensed Matter and Materials, vol. 77, no. 14, pp. 144205/1-144205/10.
• Goossens, D, Heerdegen, A & Welberry, T 2008, 'X-ray diffuse scattering from HTMA: analysis via a Monte Carlo model', Acta Crystallographica Section B: Structural Science, vol. 64, no. 4, pp. 456-465.
• Welberry, T & Goossens, D 2008, 'The interpretation and analysis of diffuse scattering using Monte Carlo simulation methods', Acta Crystallographica Section A: Foundations of Crystallography, vol. A64, no. 1, pp. 23-32.
• Liu, Y, Withers, R, Welberry, T et al. 2008, 'Structural disorder in BZN-based pyrochlores', Journal of Electroceramics, vol. 21, no. 1-4, pp. 401-404.
• Goossens, D, Heerdegen, A, Welberry, T et al. 2007, 'The molecular conformation of Ibuprofen, C₁₃H₁₈O₂, through X-ray diffuse scattering', International Journal of Pharmaceutics, vol. 343, no. 1-2, pp. 59-68.
• Welberry, T & Sing, B 2007, 'Deformed Penrose tilings', Philosophical Magazine, vol. 87, no. 18-21, pp. 2877-2886.
• Liu, Y, Withers, R & Welberry, T 2007, 'Superstructure phase of microwave dielectric (Bi_1.5Zn_0.5)(Ti_1.5Nb_0.5)O₇ pyrochlore', Annual Condensed Matter and Materials Meeting 2007, ed. Conference Program Committee, Australian National University, Australia, p. 13.
• Goossens, D, Welberry, T, Heerdegen, A et al. 2007, 'Simultaneous fitting of X-ray and neutron diffuse scattering data', Acta Crystallographica Section A: Foundations of Crystallography, vol. 63, no. 1, pp. 30-35.
• Thomas, L, Welberry, T, Goossens, D et al. 2007, 'Disorder in pentachloronitrobenzene, C₆Cl₅NO₂: a diffuse scattering study', Acta Crystallographica Section B: Structural Science, vol. B63, no. 4, pp. 663-673.
• Welberry, T, Goossens, D & Gutmann, M 2006, 'Chemical origin of nanoscale polar domains in PbZn_1/3Nb_2/3O₃', Physical Review B: Condensed Matter and Materials, vol. 74, no. 22, pp. 224108/1-11.
• Goossens, D, Heerdegen, A, Welberry, T et al. 2006, 'Monte Carlo analysis of neutron diffuse scattering data', Physica B, vol. 385-386, no. Part 2, pp. 1352-1354.
• Goossens, D, Hagen, M, Wu, X et al. 2006, 'The structural phase transition in deuterated benzil, C₁₄D₁₀O₂', Annual Condensed Matter and Materials Meeting 2006, ed. Maxim Avdeev, Australian Institute of Physics, Parkville Victoria, pp. WP14/1-3.
• Sing, B & Welberry, T 2006, 'Deformed model sets and distorted Penrose tilings', Zeitschrift fur Kristallographie, vol. 221, no. 9, pp. 621-634.
• Liu, Y, Withers, R, Welberry, T et al. 2006, 'Crystal chemistry on a lattice: The case of BZN and BZN-related pyrochlores', Journal of Solid State Chemistry, vol. 179, no. 7, pp. 2141-2149.
• Goossens, D, Welberry, T, Hagen, M et al. 2006, 'Structural phase transition in deuterated benzil C₁₄D₁₀O₂: Neutron inelastic scattering', Physical Review B: Condensed Matter and Materials, vol. 73, no. 13, pp. 134116/1-7.
• Goossens, D, Welberry, T, Heerdegen, A et al. 2005, 'Modelling disorder in 3,3-dimethoxybenzil, C₁₆H₁₄O₄', Zeitschrift fur Kristallographie, vol. 220, no. 12, pp. 1035-1042.
• Welberry, T, Goossens, D, Heerdegen, A et al. 2005, 'Problems in measuring diffuse X-ray scattering', Zeitschrift fur Kristallographie, vol. 220, no. 12, pp. 1052-1058.
• Welberry, T 2005, 'Diffuse scattering', Zeitschrift fur Kristallographie, vol. 220, no. 12, p. 993.
• Welberry, T, Gutmann, M, Woo, H et al. 2005, 'Single-crystal neutron diffuse scattering and Monte Carlo study of the relaxor ferroelectric PbZn_1/3Nb_2/3O₃ (PZN)', Journal of Applied Crystallography, vol. 38, no. 4, pp. 639-647.
• Welberry, T 2005, 'Diffuse scattering from organic crystals', Molecular Crystals and Liquid Crystals, vol. 440, pp. 1-21.
• Goossens, D, Welberry, T & Heerdegen, A 2005, 'Modelling dynamic disorder in 3,3-dimethoxybenzil, C₁₆H₁₄O₄', National Congress Australian Institute of Physics 2005, ed. Max Colla, Australian Institute of Physics, Canberra, pp. 1-4.
• Withers, R, Welberry, T, Pring, A et al. 2005, 'Soft phonon modes, structured diffuse scattering and the crystal chemistry of Fe-bearing sphalerites', Journal of Solid State Chemistry, vol. 178, no. 3, pp. 655-660.
• Withers, R, Brink, F, Noren, L et al. 2004, 'Local strain, structured diffuse scattering and oxygen/fluorine ordering in transition metal oxyfluorides', Ferroelectrics, vol. 305, no. N/A, pp. 123-126.
• Welberry, T 2004, Diffuse X-Ray Scattering and Models of Disorder, Oxford University Press, New York, USA.
• Welberry, T 2004, 'The Importance of Multisite Correlations in Disordered Structures', Ferroelectrics, vol. 305, pp. 117-122.
• Kreisel, J, Bouvier, P, Dkhil, B et al. 2004, 'Effect of High Pressure on the Relaxor Ferroelectrics Na_1/2Bi_1/2TiO₃ (NBT) and PbMg_1/3Nb_2/3O₃ (PMN)', Ferroelectrics, vol. 302, pp. 293-298.
• Welberry, T 2004, 'Disorder and Diffuse Scattering', in JL Atwood and JW Steed (ed.), Encyclopedia of Supramolecular Chemistry, Vol 1, Marcel Dekker Inc., New York, USA, pp. 457-466.
• Campbell, B, Welberry, T, Broach, R et al. 2004, 'Elucidation of zeolite microstructure by synchrotron X-ray diffuse scattering', Journal of Applied Crystallography, vol. 37, no. 2, pp. 187-192.
• Withers, R, Welberry, T, Larsson, A et al. 2004, 'Local Crystal Chemistry, Induced Strain and Short Range Order in the Cubic Pyrochlore (Bi1.5-αZn0.5-β)(Zn0.5-γNb1.5-δ)O7-1.5α-β-γ-2.5δ) (BZN)', Journal of Solid State Chemistry, vol. 177, no. 1, pp. 231-244.
• Bonin, M, Welberry, T, Hostettler, M et al. 2003, 'Urotropin azelate: a rather unwilling co-crystal', Acta Crystallographica Section B: Structural Science, vol. 59, pp. 72-86.
• Withers, R, Welberry, T, Brink, F et al. 2003, 'Oxygen/fluorine ordering, structured diffuse scattering and the local crystal chemistry of K3MoO3F3', Journal of Solid State Chemistry, vol. 170, no. 2, pp. 211-220.
• Kreisel, J, Bouvier, P, Dkhil, B et al. 2003, 'High-pressure x-ray scattering of oxides with a nanoscale local structure: Application to Na_1/2Bi_1/2TiO₃', Physical Review B, vol. 68, pp. 014113-1 - 014113-7.
• Welberry, T, Goossens, D, Haeffner, D et al. 2003, 'High-energy diffuse scattering on the 1-ID beamline at the Advanced Photon Source', Journal of Synchrotron Radiation, vol. 10, pp. 284-286.
• Welberry, T & Heerdegen, A 2003, 'Diffuse X-ray scattering from 4,4-dimethoxybenzil, C₁₆H₁₄O₄: analysis via automatic refinement of a Monte Carlo model', Acta Crystallographica Section B: Structural Science, vol. 59, pp. 760-769.
• Welberry, T, Goossens, D, David, W et al. 2003, 'Diffuse neutron scattering in benzil, C₁₄D₁₀O₂, using the time-of-flight Laue technique', Journal of Applied Crystallography, vol. 36, pp. 1440-1447.
• Honal, M & Welberry, T 2002, 'Monte Carlo study of the quasicrystal-to-crystal transformation using an approach based on the Gummelt covering', Zeitschrift fur Kristallographie, vol. 217, pp. 109-118.
• Welberry, T & Honal, M 2002, 'Size-effect-like distortions in quasicrystalline structures', Zeitschrift fur Kristallographie, vol. 217, pp. 422-426.
• Welberry, T 2002, 'Analysis of Single-Crystal Diffuse X-ray Scattering via Automatic refinement of a Monte Carlo Model', in S J L Billinge and M F Thorpe (ed.), From Semiconductors to Proteins: Beyond the Average Structure, Kluwer Academic Publishers, New York, pp. 1-22.
• Goossens, D & Welberry, T 2001, 'Monte Carlo study of disorder in HMTA', Computer Physics Communications, vol. 142, pp. 387-390.
• Welberry, T, Goossens, D, Edwards, A et al. 2001, 'Diffuse X-ray scattering from benzil, C₁₄H₁₀O₂: analysis via automatic refinement of a Monte Carlo model', Acta Crystallographica Section A: Foundations of Crystallography, vol. A57, no. 1, pp. 101-109.
• Welberry, T 2001, 'Diffuse X-ray scattering and strain effects in disordered crystals', Acta Crystallographica Section A: Foundations of Crystallography, vol. A57, no. 3, pp. 244-255.
• Welberry, T 2000, '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: Foundations of Crystallography, vol. A56, pp. 348-358.
• Butler, B, Haeffner, D, Lee, P et al. 2000, 'High-energy X-ray diffuse scattering using Weissenberg flat-cone geometry', Journal of Applied Crystallography, vol. 33, pp. 1046-1050.
• Mayo, S, Proffen, T, Bown, M et al. 1999, 'Diffuse scattering and Monte Carlo simulations of cyclo-perhydrotriphenylene (PHTP) inclusion compounds, C6H12/C18H30', Journal of Applied Crystallography, vol. 32, pp. 464-471.
• Withers, R, Proffen, T & Welberry, T 1999, 'Inter-sublattice ordering correlations and the geometrical locus approach to localized diffuse scattering', Philosophical Magazine A, vol. 79, no. 3, pp. 753-762.

Projects and Grants

Grants information is drawn from ARIES. To add or update Projects or Grants information please contact your College Research Office.

• Benchmarking of advanced scattering probes for materials characterization. (Primary Investigator)
• Understanding nanostructure in lead-containing piezoceramics - the key to improved and environmentally-friendly materials (Primary Investigator)
• Understanding, prediction and control of polymorphism in pharmaceuticals (Primary Investigator)