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XRDur - The Durham X-Ray Centre
Lattice structure

Publications 2010

  • Tan, Osbert, Clark, S.J., Szablewski, M. & Cross, G.H. (2010). Understanding the optical spectroscopy of amphiphilic molecular rectifiers: A density functional approach. Journal of Chemical Physics 133(24): 244702.
  • Foster, JA Piepenbrock, MOM, Lloyd, GO Clarke, N, Howard, JAK & Steed, JW (2010). Anion-switchable supramolecular gels for controlling pharmaceutical crystal growth. Nature Chemistry 2(12): 1037-1043.
  • Harris, Robin K., Hodgkinson, Paul, Zorin, Vadim, Dumez, Jean-Nicolas, Elena-Herrmann, Benedicte, Emsley, Lyndon, Salager, Elodie & Stein, Robin S. (2010). Computation and NMR crystallography of terbutaline sulfate. MAGNETIC RESONANCE IN CHEMISTRY 48(1): S103-S112.
  • Le Blond, J.S., Horwell, C.J., Baxter, P.J., Michnowicz, S.A.K., Tomatis, M., Fubini, B., Delmelle P, Dunster C & Patia H (2010). Mineralogical analyses and in vitro screening tests for the rapid evaluation of the health hazard of volcanic ash at Rabaul volcano, Papua New Guinea. Bulletin of Volcanology 72(9): 1077-1092.
  • Khan, Gobinda Gopal, Clark, S.J. & Bandyopadhyay, N.R. (2010). ELECTRONIC, MECHANICAL AND OPTICAL PROPERTIES OF Si(3)P(4) AND Ge(3)P(4): AN AB INITIO STUDY. International Journal of Modern Physics B 24(28): 5487-5494.
  • Chiang, C.J., Winscom, C. & Monkman, A. (2010). Electroluminescence characterization of FOLED devices under two type of external stresses caused by bending. Organic Electronics 11(11): 1870-1875.
  • Fan, R, Kinane, CJ, Charlton, TR, Dorner, R, Ali, M, de Vries, MA, Brydson, RMD, Marrows, CH, Hickey, BJ, Arena, DA, Tanner, BK, Nisbet, G & Langridge, S (2010). Ferromagnetism at the interfaces of antiferromagnetic FeRh epilayers. Physical Review B 82(18): 184418
  • Abes, M, Atkinson, D, Tanner, BK, Charlton, TR, Langridge, S, Hase, TPA, Ali, M, Marrows, CH, Hickey, BJ, Neudert, A, Hicken, RJ, Arena, D, Wilkins, SB, Mirone, A & Lebegue, S (2010). Spin polarization and exchange coupling of Cu and Mn atoms in paramagnetic CuMn diluted alloys induced by a Co layer. Physical Review B 82(18): 184412.
  • Hickey, M.C. Ngo, D.-T. Lepadatu, S. Atkinson, D. , McGrouther, D. McVitie, S. & Marrows, C.H. (2010). Spin-transfer torque efficiency measured using a Permalloy nanobridge. Applied Physics Letters 97(20): 202505.
  • Wittge, J, Danilewsky, AN, Allen, D, McNally, P, Li, Z, Baumbach, T, Gorostegui-Colinas, E, Garagorri, J, Elizalde, MR, Jacques, D, Fossati, MC, Bowen, DK & Tanner, BK (2010). Dislocation sources and slip band nucleation from indents on silicon wafers. Journal Of Applied Crystallography 43(5): 1036-1039.
  • Butenko, Yuriy V., Šiller, L. & Hunt, M.R.C. (2010). Carbon Onions. In Handbook of Nanophysics: Clusters and Fullerenes. Sattler, K.D. CRC Press. 1-18.
  • Krstic, Milena, Sovilj, Sofija P., Grguric-Sipka, Sanja, Evans, Ivana Radosavljevic, Borozan, Suncica, Santibanez, Juan Francisco & Kocic, Jelena (2010). New ruthenium(II) complexes with N-alkylphenothiazines: Synthesis, structure, in vivo activity as free radical scavengers and in vitro cytotoxicity. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 45(9): 3669-3676.
  • Durant AJ, Bonadonna C & Horwell CJ (2010). Atmospheric and environmental impacts of volcanic particulates. Elements 6(4): 235-240.
  • Beale, TAW, Wilkins, SB, Johnson, RD, Bland, SR, Joly, Y, Forrest, TR, McMorrow, DF, Yakhou, F, Prabhakaran, D, Boothroyd, AT & Hatton, PD (2010). Antiferromagnetically Spin Polarized Oxygen Observed in Magnetoelectric TbMn2O5. Physical Review Letters 105(8): 087203.
  • Beale, TAW, Hase, TPA, Iida, T, Endo, K, Steadman, P, Marshall, AR, Dhesi, SS, van der Laan, G & Hatton, PD (2010). RASOR: An advanced instrument for soft x-ray reflectivity and diffraction. Review Of Scientific Instruments 81(7): 073904.
  • Beale, TAW, Johnson, RD, Joly, Y, Bland, SR, Hatton, PD, Bouchenoire, L, Mazzoli, C, Prabhakaran, D & Boothroyd, AT (2010). Resonant x-ray scattering from the 4p quadrupole moment in YVO3. Physical Review B 82(2): 7.
  • Williamson, B.J., Di Muro A., Horwell C.J., Spieler O. & Llewellin E.W. (2010). Injection of vesicular magma into an andesitic dome at the effusive–explosive transition. Earth and Planetary Science Letters 295(1-2): 83-90.
  • Bird, G.E., Trevelyan, J. & Augarde, C.E. (2010). A coupled BEM/Scaled Boundary FEM formulation for accurate computations in linear elastic fracture mechanics. Engineering Analysis with Boundary Elements 34(6): 599-610.
  • Handley, H.K., Macpherson, C.G. & Davidson, J.P. (2010). Geochemical and Sr-O isotopic constraints on magmatic differentiation at Gede volcanic complex, west Java, Indonesia. Contributions to Mineralogy and Petrology 159(6): 885-908.
  • Wittge, J, Danilewsky, A, Allen, D, McNally, P, Li, ZJ, Baumbach, T, Gorostegui-Colinas, E, Garagorri, J, Elizalde, MR, Jacques, D, Fossati, MC, Bowen, DK & Tanner, BK (2010). X-ray diffraction imaging of dislocation generation related to microcracks in Si wafers. Powder Diffraction 25(2): 99-103.
  • Deegan, F. M., Troll, V. R., Freda, C., Misiti, V., Chadwick, J. P., McLeod, C. L. & Davidson, J. P. (2010). Magma–Carbonate Interaction Processes and Associated CO2 Release at Merapi Volcano, Indonesia: Insights from Experimental Petrology. Journal of Petrology 51(5): 1027-1051.
  • Pym, ATG, Ruhrig, M & Tanner, BK (2010). Layer and interface structural changes in Co0.6Fe0.2B0.2/AlOx multilayers on annealing. Journal Of Applied Physics 107(9): 093524
  • Horwell CJ, Stannett GW, Andronico D, Bertagnini A, Fenoglio I, Fubini B, Le Blond JS & Williamson BJ (2010). A physico-chemical assessment of the health hazard of Mt. Vesuvius volcanic ash. Journal of Volcanology and Geothermal Research 191(3-4): 222-232.
  • Malik P, Korfali N, Srsen V, Lazou V, Batrakou DG, Zuleger N, Kavanagh DM, Wilkie GS, Goldberg MW & Schirmer EC. (2010). Cell-specific and lamin-dependent targeting of novel transmembrane proteins in the nuclear envelope. Cellular and Molecular Life Sciences 67(8): 1353-1369.
  • Blain,S., Bailiff, I.K., Guibert P., Bouvier, A. & Baylé M. (2010). An intercomparison study of luminescence dating protocols and techniques applied to medieval brick samples from Normandy (France). Quaternary Geochronology 5(2-3): 311-316.
  • Lister, S.E., Soleilhavoup, A., Withers, R.L., Hodgkinson, P. & Evans, J.S.O. (2010). Structures and Phase Transitions in (MoO2)2P2O7. Inorganic Chemistry 49(5): 2290-2301.
  • Horwell CJ, Le Blond JS, Michnowicz SAK & Cressey G (2010). Cristobalite in a rhyolitic lava dome: Evolution of ash hazard. Bulletin of Volcanology 72(2): 249-253.
  • Clark, S.J., Robertson, J., Lany, S. & Zunger, A. (2010). Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals. Physical Review B 81(11): 115311.
  • Pålsson, L.-O., Wang, C., Batsanov, A.S., King, S.M., Beeby, A., Monkman, A.P. & Bryce, M.R. (2010). Efficient Intramolecular Charge Transfer in Oligoyne-Linked Donor–π–Acceptor Molecules. Chemistry - A European Journal 16(5): 1470-1479.
  • Lu, XF & Hampshire, DP (2010). The field, temperature and strain dependence of the critical current density of a powder-in-tube Nb3Sn superconducting strand. Superconductor Science & Technology 23(2): 025002
  • Du, CH, Yao, CH, Ling, DC, Tang, MT, Hsu, FC, Liu, HL, Hatton, PD & Ikeda, N (2010). The modulated structure and ferromagnetic insulating state in a nine-layer BaRuO3. Journal of Physics: Condensed Matter 22(3): 5.
  • Liu, D., Clark, S.J. & Robertson, J. (2010). Oxygen vacancy levels and electron transport in Al(2)O(3). Applied Physics Letters 96(3): 032905.
  • Ilott, AJ Palucha, S , Batsanov, AS, Wilson, MR & Hodgkinson, P (2010). Elucidation of Structure and Dynamics in Solid Octafluoronaphthalene from Combined NMR, Diffraction, And Molecular Dynamics Studies. Journal of the American Chemical Society 132(14): 5179-5185.
  • Fiserova J, Richards, SA, Wente, SR & Goldberg, MW (2010). Facilitated transport and diffusion take distinct spatial routes through the nuclear pore complex. Journal of Cell Science 123(16): 2773-2780.
  • Fiserova J & Goldberg MW (2010). Relationships at the nuclear envelope: lamins and nuclear pore complexes in animals and plants. Biochemical Society Transactions 38: 829-831
  • Le Blond J.S., Horwell C.J., Williamson B.J. & Oppenheimer C. (2010). Generation of crystalline silica from sugarcane burning. Journal of Environmental Monitoring 12(7): 1459-1470.
  • Waters, J V, Jones, S J & Armstrong, H A (2010). Climatic controls on late Pleistocene alluvial fans, Cyprus. Geomorphology 115(3-4): 228-251.
  • Zhuang, X. & Augarde, C.E. (2010). Aspects of the use of orthogonal basis functions in the element-free Galerkin method. International Journal for Numerical Methods in Engineering 81(3): 366-380.
  • Cai, Yongchang., Zhuang, Xiaoying. & Augarde, Charles. (2010). A new partition of unity finite element free from the linear dependence problem and possessing the delta property. Computer Methods in Applied Mechanics and Engineering 199(17-20): 1036-1043.
  • Coombs, W.M., Crouch, R.S. & Augarde, C.E (2010). Reuleaux plasticity: analytical backward Euler stress integration and consistent tangent. Computer Methods in Applied Mechanics and Engineering 199(25-28): 1733-1743.
  • Heaney, C.E., Augarde, C.E. & Deeks, A.J. (2010). Modelling elasto-plasticity using the hybrid MLPG method. Computer Modeling in Engineering and Sciences 56(2): 153-178.
  • Smaczynska-de Rooij, II, Allwood, EG Aghamohammadzadeh, S, Hettema, EH Goldberg, MW & Ayscough, KR (2010). A role for the dynamin-like protein Vps1 during endocytosis in yeast. Journal of Cell Science 123(20): 3496-3506.
  • von Moeller F, Barendziak T, Apte K, Goldberg MW & Reimer Stick (2010). Molecular characterization of Xenopus lamin LIV reveals differences in the lamin composition of sperms in amphibians and mammals. Nucleus 1: 85-95.
  • Stick R & Goldberg MW (2010). Oocytes as an experimental system to analyze the ultrastructure of endogenous and ectopically expressed nuclear envelope components. Methods 51: 170-176
  • Fiserova J & Goldberg MW (2010). Immunoelectron microscopy of cryofixed freeze substituted Saccharomyces cerevisiae. Methods Mol Biol 657: 191-204.
  • Goldberg MW & Fiserova J. (2010). Immunogold labelling for scanning electron microscopy. Methods Mol Biol 657: 297-313.
  • Bailiff, I.K., Blain, S., Graves, C.P., Gurling, T. & Semple, S. (2010). Uses and recycling of brick in medieval English buildings: insights from the application of luminescence dating and new avenues for further research. The Archaeological Journal 167: 165-196.
  • Hindmarch AT, Harnchana V, Ciudad D, Negusse E, Arena DA, Brown AP, Brydson RMD & Marrows CH (2010). Magnetostructural influences of thin Mg insert layers in crystalline CoFe(B):MgO:CoFe(B) magnetic tunnel junctions. Applied Physics Letters 97(25): 252502.
  • Sidorenko, AA, Pernechele, C, Lupo, P, Ghidini, M, Solzi, M, De Renzi, R, Bergenti, I, Graziosi, P, Dediu, V, Hueso, L & Hindmarch, AT (2010). Interface effects on an ultrathin Co film in multilayers based on the organic semiconductor Alq3. Applied Physics Letters 97(17): 162509.
  • Hindmarch, AT, Dempsey, KJ, Ciudad, D, Negusse, E, Arena, DA & Marrows, CH (2010). Fe diffusion, oxidation, and reduction at the CoFeB:MgO interface studied by soft x-ray absorption spectroscopy and magnetic circular dichroism. Applied Physics Letters 96(9): 092501.
  • Seemann, KM, Makrousov, Y, Aziz, A, Miguel, J, Kronast, F, Kuch, W, Blamire, MG, Hindmarch AT, Hickey, BJ, Souza, I & Marrows, CH (2010). Spin-Orbit Strength Driven Crossover between Intrinsic and Extrinsic Mechanisms of the Anomalous Hall Effect in the Epitaxial L10-Ordered Ferromagnets FePd and FePt. Physical Review Letters 104(7): 076402
  • Malarkey, J. Witig, N. Pearson, D.G. & Davidson, J.P. (2010). Characterising modal metasomatic processes in young continental lithospheric mantle – an example from the Middle Atlas Mountains, Morocco. Contributions to Mineralogy and Petrology 162: 289–302.
  • Malarkey, J., Pearson, D.G. Kjarsgaard, B. Davidson, J.P. Nowell, G.M. Ottley, C,J. & Stammer, J. (2010). From source to crust: Tracing magmatic evolution in a kimberlite and a melilitite using microsample geochemistry. Earth and Planetary Science Letters 299(1-2): 80-90.
  • Milman, V., Refson, K., Clark, S.J., Pickard, C.J., Yates, J.R., Gao, S. -P., Hasnip, P.J., Probert, M.I.J., Perlov, A. & Segall, M.D. (2010). Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 954(1-3, SI): 22-35.
  • Clark, Stewart J. & Robertson, John (2010). Screened exchange density functional applied to solids. Physical Review B 82(8): 085208.
  • Geatches, Dawn L., Clark, Stewart J. & Greenwell, Hugh C. (2010). Role of Clay Minerals in Oil-Forming Reactions. The Journal of Physical Chemistry A 114(10): 3569-3575.
  • Kuang, X, Li, Y, Ling, CD, Withers, RL & Evans, IR (2010). Oxide Ion Conductivity, Phase Transitions, and Phase Separation in Fluorite-Based Bi38-xMo7xO78+1.5x. Chemistry of Materials 22(15): 4484-4494.
  • Kuang, X & Evans, IR (2010). Four New Dysprosium and Neodymium Octamolybdate Hydrates: Assembly of RE2(Mo8O27) Sheets and Topotactic Transformations. Inorganic Chemistry 49(13): 6005-6012.
  • Piepenbrock, MOM Clarke, N & Steed, JW (2010). Shear induced gelation in a copper(II) metallogel: new aspects of ion-tunable rheology and gel-reformation by external chemical stimuli. Soft Matter 6(15): 3541-3547.
  • Greenwell, H. C., Laurens, L. M. L., Shields, R. J., Lovitt, R. W. & Flynn, K. J. (2010). Placing microalgae on the biofuels priority list: a review of the technological challenges. Journal of The Royal Society Interface 7(46): 703-726.
  • Swadling, J. B., Coveney, P. V. & Greenwell, H. C. (2010). Clay Minerals Mediate Folding and Regioselective Interactions of RNA: A Large-Scale Atomistic Simulation Study. Journal of the American Chemical Society 132(39): 13750-13764.
  • Yeh, Joanne I., Pohl, Ehmke, Truan, Daphne, He, Wei, Sheldrick, George M., Du, Shoucheng & Achim, Catalina (2010). The Crystal Structure of Non-Modified and Bipyridine-Modified PNA Duplexes. Chemistry - A European Journal 16(39): 11867-11875.
  • Martin, V., Davidson, J.P.,, Morgan, D., & Jerram, D.A. (2010). Using the Sr isotope compositions of feldspars and glass to distinguish magma system components and dynamics. Geology 38(6): 539-542.
  • Das, J, Freitas, FS, Evans, IR, Nogueira, AF & Khushalani, D (2010). A facile nonaqueous route for fabricating titania nanorods and their viability in quasi-solid-state dye-sensitized solar cells. Journal of Materials Chemistry 20(21): 4425-4431.
  • Flynn, KJ, Greenwell, HC, Lovitt, RW & Shields, RJ (2010). Selection for fitness at the individual or population levels: Modelling effects of genetic modifications in microalgae on productivity and environmental safety. Journal of Theoretical Biology 263(3): 269.
  • Johnson, R. D., Frawley, T., Manuel, P., Khalyavin, D. D., Adriano, C., Giles, C., Pagliuso, P. G. & Hatton, P. D. (2010). Magnetic structures of the anisotropic intermetallic compoundsEr2CoGa8andTm2CoGa8. Physical Review B 82(10).
  • Hodgkinson, Paul (2010). High-Resolution H-1 NMR Spectroscopy of Solids. In ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 72. Webb, GA 72: 185-223.