Outputs (101)

A meshless sub-region radial point interpolation method for accurate calculation of crack tip fields (2013)
Journal Article
Zhuang, X., Cai, Y., & Augarde, C. (2014). A meshless sub-region radial point interpolation method for accurate calculation of crack tip fields. Theoretical and Applied Fracture Mechanics, 69, 118-125. https://doi.org/10.1016/j.tafmec.2013.12.003

A new meshless sub-region radial point interpolation method (MS-RPIM) is proposed for linear elastic fracture mechanics. The Williams expansions of stress field for mode I/II crack is used as the trial functions in crack tip region, the meshless radi... Read More about A meshless sub-region radial point interpolation method for accurate calculation of crack tip fields.

Another Dimension: investigations of molecular magnetism using muon-spin relaxation (2013)
Journal Article
Lancaster, T., Blundell, S., & Pratt, F. (2013). Another Dimension: investigations of molecular magnetism using muon-spin relaxation. Physica Scripta, 88(6), Article 068506. https://doi.org/10.1088/0031-8949/88/06/068506

We review examples of muon–spin relaxation measurements on molecule-based magnetic coordination polymers, classified by their magnetic dimensionality. These include the one-dimensional s = 1/2 spin chain Cu(pyz)(NO3)2 and the two-dimensional s = 1/2... Read More about Another Dimension: investigations of molecular magnetism using muon-spin relaxation.

Playing quantum hide-and-seek with the muon: localizing muon stopping sites (2013)
Journal Article
Möller, J., Bonfà, P., Ceresoli, D., Bernardini, F., Blundell, S., Lancaster, T., …Mohamed-Ibrahim, M. (2013). Playing quantum hide-and-seek with the muon: localizing muon stopping sites. Physica Scripta, 88(6), Article 068510. https://doi.org/10.1088/0031-8949/88/06/068510

The most fundamental limitations of a muon-spin relaxation experiment can be the lack of knowledge of the implantation site of the muon and the uncertainty about the muon’s perturbation of its host. Here we review some of the work done on the ‘muon s... Read More about Playing quantum hide-and-seek with the muon: localizing muon stopping sites.

A Magnetic Study of Low Moment Nickel Clusters Formed from the Solid-State Decomposition Reaction of Nickel bis-1,5-Cyclooctadiene (2013)
Journal Article
Berlie, A., Terry, I., & Szablewski, M. (2013). A Magnetic Study of Low Moment Nickel Clusters Formed from the Solid-State Decomposition Reaction of Nickel bis-1,5-Cyclooctadiene. Journal of Cluster Science, 24(4), 1057-1066. https://doi.org/10.1007/s10876-013-0597-9

Variable temperature SQUID magnetometry measurements were made on a sample of commercially available nickel bis-1,5-cyclooctadiene (Ni(COD)2) is reported. The material is shown to be a mixed phase magnetic system where the Ni(COD)2 behaves as a diama... Read More about A Magnetic Study of Low Moment Nickel Clusters Formed from the Solid-State Decomposition Reaction of Nickel bis-1,5-Cyclooctadiene.

Triggered Formation of Thixotropic Hydrogels by Balancing Competitive Supramolecular Synthons (2013)
Journal Article
Liu, K., & Steed, J. (2013). Triggered Formation of Thixotropic Hydrogels by Balancing Competitive Supramolecular Synthons. Soft Matter, 9(48), 11699-11705. https://doi.org/10.1039/c3sm51949j

Two component hydrogels have been obtained by formation of 1:1 complexes of bis(pyridyl urea)s with a range of dicarboxylic acids. The gels are thixotropic and undergo an assembly process in which short segments can reversibly assemble into an interc... Read More about Triggered Formation of Thixotropic Hydrogels by Balancing Competitive Supramolecular Synthons.

Luminescence dating of sediments from a Palaeolithic site associated with a solution feature on the North Downs of Kent, UK (2013)
Journal Article
Bailiff, I., Lewis, S., Drinkall, H., & White, M. (2013). Luminescence dating of sediments from a Palaeolithic site associated with a solution feature on the North Downs of Kent, UK. Quaternary Geochronology, 18, 135-148. https://doi.org/10.1016/j.quageo.2013.04.001

Optically stimulated luminescence (OSL) dating has been applied to determine the burial age of sediment horizons within a sequence containing Lower Palaeolithic artefacts on an upland site associated with a solution feature (doline) at West Cliffe, l... Read More about Luminescence dating of sediments from a Palaeolithic site associated with a solution feature on the North Downs of Kent, UK.

An adaptive finite element/meshless coupled method based on local maximum entropy shape functions for linear and nonlinear problems (2013)
Journal Article
Ullah, Z., Coombs, W. M., & Augarde, C. E. (2013). An adaptive finite element/meshless coupled method based on local maximum entropy shape functions for linear and nonlinear problems. Computer Methods in Applied Mechanics and Engineering, 267, 111-132. https://doi.org/10.1016/j.cma.2013.07.018

In this paper, an automatic adaptive coupling procedure is proposed for the finite element method (FEM) and the element-free Galerkin method (EFGM) for linear elasticity and for problems with both material and geometrical nonlinearities. In this new... Read More about An adaptive finite element/meshless coupled method based on local maximum entropy shape functions for linear and nonlinear problems.

A molecular dynamics study of the effects of fast molecular motions on solid-state NMR parameters (2013)
Journal Article
Dračínský, M., & Hodgkinson, P. (2013). A molecular dynamics study of the effects of fast molecular motions on solid-state NMR parameters. CrystEngComm, 15(43), 8705-8712. https://doi.org/10.1039/c3ce40612a

The influence of fast molecular motions on NMR parameters in molecular organic solids is explored on a set of amino acids and nucleic acid bases. A combination of DFT molecular dynamics and calculations of shielding and electric field gradient (EFG)... Read More about A molecular dynamics study of the effects of fast molecular motions on solid-state NMR parameters.

Microscopic visualisation of metabotropic glutamate receptors on the surface of living cells using bifunctional magnetic resonance imaging probes (2013)
Other
Mishra, A., Mishra, R., Gottschalk, S., Pal, R., Sim, N., Engelmann, J., …Parker, D. (2014). Microscopic visualisation of metabotropic glutamate receptors on the surface of living cells using bifunctional magnetic resonance imaging probes

A series of bimodal metabotropic glutamate-receptor targeted MRI contrast agents has been developed and evaluated, based on established competitive metabotropic Glu receptor subtype 5 (mGluR5) antagonists. In order to directly visualize mGluR5 bindin... Read More about Microscopic visualisation of metabotropic glutamate receptors on the surface of living cells using bifunctional magnetic resonance imaging probes.

Structural and functional characterization of the Redβ recombinase from bacteriophage λ (2013)
Journal Article
Matsubara, K., Malay, A., Curtis, F., Sharples, G., & Heddle, J. (2013). Structural and functional characterization of the Redβ recombinase from bacteriophage λ. PLoS ONE, 8(11), Article e78869. https://doi.org/10.1371/journal.pone.0078869

The Red system of bacteriophage λ is responsible for the genetic rearrangements that contribute to its rapid evolution and has been successfully harnessed as a research tool for genome manipulation. The key recombination component is Redβ, a ring-sha... Read More about Structural and functional characterization of the Redβ recombinase from bacteriophage λ.

Lithological controls on the deformation mechanisms operating within carbonate-hosted faults during the seismic cycle (2013)
Journal Article
Bullock, R. J., De Paola, N., Holdsworth, R. E., & Trabucho-Alexandre, J. (2014). Lithological controls on the deformation mechanisms operating within carbonate-hosted faults during the seismic cycle. Journal of Structural Geology, 58, 22-42. https://doi.org/10.1016/j.jsg.2013.10.008

A significant proportion of moderate-large earthquakes, plus aftershocks, nucleate within and propagate through upper-crustal carbonate-dominated sequences, where the effects of lithological variations on fault behaviour are poorly understood. The Gu... Read More about Lithological controls on the deformation mechanisms operating within carbonate-hosted faults during the seismic cycle.

Magnetic transition and spin dynamics in the triangular Heisenberg antiferromagnet α-KCrO2 (2013)
Journal Article
Xiao, F., Lancaster, T., Baker, P., Pratt, F., Blundell, S., Möller, J., …Jansen, M. (2013). Magnetic transition and spin dynamics in the triangular Heisenberg antiferromagnet α-KCrO2. Physical review B, 88(18), Article 180401(R). https://doi.org/10.1103/physrevb.88.180401

We present the results of muon-spin relaxation measurements on the triangular lattice Heisenberg antiferromagnet α -KCrO 2 . We observe sharp changes in behavior at an ordering temperature of T c =23 K, with an additional broad feature in the muon-sp... Read More about Magnetic transition and spin dynamics in the triangular Heisenberg antiferromagnet α-KCrO2.

Magnetic fan structures in Ba0.5Sr1.5Zn2Fe12O22 hexaferrite revealed by resonant soft x-ray diffraction (2013)
Journal Article
Hearmon, A., Johnson, R., Beale, T., Dhesi, S., Luo, X., Cheong, S., …Radaelli, P. (2013). Magnetic fan structures in Ba0.5Sr1.5Zn2Fe12O22 hexaferrite revealed by resonant soft x-ray diffraction. Physical review B, 88(17), Article 174413. https://doi.org/10.1103/physrevb.88.174413

The hexaferrites are known to exhibit a wide range of magnetic structures, some of which are connected to important technological applications and display magnetoelectric properties. We present data on the low magnetic field structures stabilized in... Read More about Magnetic fan structures in Ba0.5Sr1.5Zn2Fe12O22 hexaferrite revealed by resonant soft x-ray diffraction.

Experimental simulation of magma–carbonate interaction beneath Mt. Vesuvius, Italy (2013)
Journal Article
Jolis, E., Freda, C., Troll, V., Deegan, F., Blythe, L., McLeod, C., & Davidson, J. (2013). Experimental simulation of magma–carbonate interaction beneath Mt. Vesuvius, Italy. Contributions to Mineralogy and Petrology, 166(5), 1335-1353. https://doi.org/10.1007/s00410-013-0931-0

We simulated the process of magma–carbonate interaction beneath Mt. Vesuvius in short duration piston-cylinder experiments under controlled magmatic conditions (from 0 to 300 s at 0.5 GPa and 1,200 °C), using a Vesuvius shoshonite composition and upp... Read More about Experimental simulation of magma–carbonate interaction beneath Mt. Vesuvius, Italy.

Physicochemical and toxicological profiling of ash from the 2010 and 2011 eruptions of Eyjafjallajökull and Grímsvötn volcanoes, Iceland using a rapid respiratory hazard assessment protocol (2013)
Journal Article
Horwell, C., Baxter, P., Hillman, S., Calkins, J., Damby, D., Delmelle, P., …Tomatis, M. (2013). Physicochemical and toxicological profiling of ash from the 2010 and 2011 eruptions of Eyjafjallajökull and Grímsvötn volcanoes, Iceland using a rapid respiratory hazard assessment protocol. Environmental Research, 127, 63-73. https://doi.org/10.1016/j.envres.2013.08.011

The six week eruption of Eyjafjallajökull volcano in 2010 produced heavy ash fall in a sparsely populated area of southern and south eastern Iceland and disrupted European commercial flights for at least 6 days. We adopted a protocol for the rapid an... Read More about Physicochemical and toxicological profiling of ash from the 2010 and 2011 eruptions of Eyjafjallajökull and Grímsvötn volcanoes, Iceland using a rapid respiratory hazard assessment protocol.

Efficient light-emitting electrochemical cells (LECs) based on ionic iridium(III) complexes with 1,3,4-oxadiazole ligands. (2013)
Journal Article
Zhang, J., Zhou, L., Al-Attar, H., Shao, K., Wang, L., Zhu., D., …Monkman, A. (2013). Efficient light-emitting electrochemical cells (LECs) based on ionic iridium(III) complexes with 1,3,4-oxadiazole ligands. Advanced Functional Materials, 23(37), 4667-4677. https://doi.org/10.1002/adfm.201300344

Eight new iridium(III) complexes 1-8, with 1,3,4-oxadiazole (OXD) derivatives as the cyclometalated C^N ligand and/or the ancillary N^N ligands are synthesized and their electrochemical, photophysical, and solid-state light-emitting electrochemical c... Read More about Efficient light-emitting electrochemical cells (LECs) based on ionic iridium(III) complexes with 1,3,4-oxadiazole ligands..

Molecular Binding in Post-Kohn-Sham Orbital-Free DFT (2013)
Journal Article
Borgoo, A., Green, J., & Tozer, D. (2014). Molecular Binding in Post-Kohn-Sham Orbital-Free DFT. Journal of Chemical Theory and Computation, 10(12), 5338-5345. https://doi.org/10.1021/ct500670h

Molecular binding in post-Kohn–Sham orbital-free DFT is investigated, using noninteracting kinetic energy functionals that satisfy the uniform electron gas condition and which are inhomogeneous under density scaling. A parameter is introduced that qu... Read More about Molecular Binding in Post-Kohn-Sham Orbital-Free DFT.

Age and petrology of the Usun Apau and Linau Balui volcanics: Windows to central Borneo’s interior (2013)
Journal Article
Cullena, A., Macpherson, C., Taib, N., Burton-Johnson, A., Dennis Geist, D., Spell, T., & Banda, R. (2013). Age and petrology of the Usun Apau and Linau Balui volcanics: Windows to central Borneo’s interior. Journal of Asian Earth Sciences, 76, 372-388. https://doi.org/10.1016/j.jseaes.2013.05.003

The Usun Apau plateau lies in a remote area of Sarawak along the Tinjar Line, which defines the onshore part of a suture between the Luconia and Dangerous Grounds blocks. Reconnaissance studies in late 1950s established that the plateau is composed o... Read More about Age and petrology of the Usun Apau and Linau Balui volcanics: Windows to central Borneo’s interior.

Application of luminescence dating and geomorphological analysis to the study of landscape evolution, settlement and climate change on the Channel Island of Herm (2013)
Journal Article
Bailiff, I., Scarre, C., & French, C. (2014). Application of luminescence dating and geomorphological analysis to the study of landscape evolution, settlement and climate change on the Channel Island of Herm. Journal of Archaeological Science, 41, 890-903. https://doi.org/10.1016/j.jas.2013.10.014

The optically stimulated luminescence (OSL) dating of sands and palaeosol horizons, sampled as part of an archaeological investigation and supported by geomorphological analysis, has been applied to identify critical stages in the development of the... Read More about Application of luminescence dating and geomorphological analysis to the study of landscape evolution, settlement and climate change on the Channel Island of Herm.

Well-Tempered Metadynamics as a Tool for Characterizing Multi-Component, Crystalline Molecular Machines (2013)
Journal Article
Ilott, A. J., Palucha, S., Hodgkinson, P., & Wilson, M. R. (2013). Well-Tempered Metadynamics as a Tool for Characterizing Multi-Component, Crystalline Molecular Machines. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 117(40), 12286-12295. https://doi.org/10.1021/jp4045995

The well-tempered, smoothly converging form of the metadynamics algorithm has been implemented in classical molecular dynamics simulations and used to obtain an estimate of the free energy surface explored by the molecular rotations in the plastic cr... Read More about Well-Tempered Metadynamics as a Tool for Characterizing Multi-Component, Crystalline Molecular Machines.