Professor T. Richard Welberry
PhD (London), MA(Cambridge)
Professor of Physical and Theoretical Chemistry
ANU College of Science
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 PbSc0.5Nb0.5O3 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 (PbZn1/3Nb2/3O3)', 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 PbZn1/3Nb2/3O3 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 PbMg1/3Nb2 3O3', 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 (Pb1- yLay)1- α(Zr1- xTix)1- βO3(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 (Bi1.5Zn0.5)(Ti1.5Nb0.5)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 PbZn1/3Nb2/3O3', 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 PbZn1/3Nb2/3O3 (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 Na1/2Bi1/2TiO3 (NBT) and PbMg1/3Nb2/3O3 (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 Na1/2Bi1/2TiO3', 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)