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Monte-Carlo Simulation of Diffusion as an Aid to Interpreting Quasi-elastic Neutron Scattering from Lattice Gas Systems with Diffusion on Multiple Time-Scales (2022)
Thesis
Swales, J. Monte-Carlo Simulation of Diffusion as an Aid to Interpreting Quasi-elastic Neutron Scattering from Lattice Gas Systems with Diffusion on Multiple Time-Scales. (Thesis). University Of Salford

Pd and Pd-Ag have recently found application in hydrogen processing technologies, both in terms of purification membranes and isotope-separation systems. Direct measurement of the diffusion processes in these systems is provided by quasi-elastic neut... Read More about Monte-Carlo Simulation of Diffusion as an Aid to Interpreting Quasi-elastic Neutron Scattering from Lattice Gas Systems with Diffusion on Multiple Time-Scales.

Crossover between liquid-like and gas-like behaviour in CH4 at 400 K (2017)
Journal Article
Smith, D., Hakeem, M., Parisiades, P., Maynard-Casely, H., Foster, D., Eden, D., …Proctor, J. (2017). Crossover between liquid-like and gas-like behaviour in CH4 at 400 K. Physical Review E, 96(5), 052113. https://doi.org/10.1103/PhysRevE.96.052113

We report experimental evidence for a crossover between a liquid-like state and a gas-like state in fluid methane (CH4). This crossover is observed in all of our experiments, up to 397 K temperature; 2.1 times the critical temperature of methane. The... Read More about Crossover between liquid-like and gas-like behaviour in CH4 at 400 K.

On the high-pressure phase stability and elastic properties of β-titanium alloys (2017)
Journal Article
and elastic properties of β-titanium alloys. Journal of Physics: Condensed Matter, 29(15), 155401-155401. https://doi.org/10.1088/1361-648X/aa60b6

We have studied the compressibility and stability of different β-titanium alloys at high pressure, including binary Ti–Mo, Ti–24Nb–4Zr–8Sn (Ti2448) and Ti–36Nb–2Ta–0.3O (gum metal). We observed stability of the β phase in these alloys to 40GPa, well... Read More about On the high-pressure phase stability and elastic properties of β-titanium alloys.

n-Diamond : Dynamical stability of proposed structures (2013)
Journal Article
Baldissin, G., & Bull, D. (2013). n-Diamond : Dynamical stability of proposed structures. Diamond and Related Materials, 34, 60-64. https://doi.org/10.1016/j.diamond.2013.01.010

A number of experimental works, mainly under extreme conditions, report a carbon phase with the same reflections as diamond but showing additional reflections that are forbidden for diamond. The crystal structure of this phase, called n-diamond by Hi... Read More about n-Diamond : Dynamical stability of proposed structures.

Synthesis of pure lithium amide nanoparticles (2013)
Journal Article
Baldissin, G., Boag, N., Tang, C., & Bull, D. (2013). Synthesis of pure lithium amide nanoparticles. European Journal of Inorganic Chemistry, 1993-1996. https://doi.org/10.1002/ejic.201201535

Deprotonation of ammonia with n-butyllithium offers a facile synthetic route to produce pure lithium amide exhibiting fine granularity, which facilitates the complete thermal decomposition to lithium imide at a relatively low temperature of 600 K. Sy... Read More about Synthesis of pure lithium amide nanoparticles.

Low frequency sound propagation in activated carbon (2012)
Journal Article
Bechwati, F., Avis, M., Bull, D., Cox, T., Hargreaves, J., Moser, D., …Venegas, R. (2012). Low frequency sound propagation in activated carbon. https://doi.org/10.1121/1.4725761

Activated carbon can adsorb and desorb gas molecules onto and off its surface. Research has examined whether this sorption affects low frequency sound waves, with pressures typical of audible sound, interacting with granular activated carbon. Imped... Read More about Low frequency sound propagation in activated carbon.

The pressure–temperature phase diagram of MgH2 and isotopic substitution (2011)
Journal Article
Moser, D., Baldissin, G., Bull, D., Riley, D., Morrison, I., Ross, D., …Noreus, D. (2011). The pressure–temperature phase diagram of MgH2 and isotopic substitution. Journal of Physics: Condensed Matter, 23(30), 305403. https://doi.org/10.1088/0953-8984/23/30/305403

Computational thermodynamics using density functional theory ab initio codes is a powerful tool for calculating phase diagrams. The method is usually applied at the standard pressure of p = 1 bar and where the Gibbs energy is assumed to be equal to t... Read More about The pressure–temperature phase diagram of MgH2 and isotopic substitution.

In-situ powder neutron diffraction study of non-stoichiometric phase formation during the hydrogenation of Li3N (2011)
Journal Article
Bull, D., Sorbic, N., Moser, D., Telling, M., Smith, R., Gregory, D., & Ross, D. (2011). In-situ powder neutron diffraction study of non-stoichiometric phase formation during the hydrogenation of Li3N. Faraday Discussions, 151, https://doi.org/10.1039/c0fd00020e

The hydrogenation of Li3N at low chemical potential has been studied in situ by time-of-flight powder neutron diffraction and the formation of a nonstoichiometric Li4_2xNH phase and Li4NH observed. The results are interpreted in terms of a model for... Read More about In-situ powder neutron diffraction study of non-stoichiometric phase formation during the hydrogenation of Li3N.

An in situ neutron diffraction measurement of the pressure-temperature evolution of a MgD2:TiD2 mixture (2010)
Journal Article
Moser, D., Bull, D., Cowpe, J., Roach, D., Ross, D., Noreus, D., & Tucker, M. (2010). An in situ neutron diffraction measurement of the pressure-temperature evolution of a MgD2:TiD2 mixture. High Pressure Research, 30(4), 643-652. https://doi.org/10.1080/08957959.2010.533664

The hydrogen storage capacity of Mg–Ti–H films is approximately five times that of conventional metal hydride electrodes in NiMH-batteries. Mg and Ti are considered to be immiscible in the bulk and the ambient pressure phase diagram of Mg and Ti in... Read More about An in situ neutron diffraction measurement of the pressure-temperature evolution of a MgD2:TiD2 mixture.

Pressure-dependent deuterium reaction pathways in the Li-N-D system (2010)
Journal Article
Bull, D., Weidner, E., Shabalin, I., Telling, M., Jewell, C., Gregory, D., & Ross, D. (2010). Pressure-dependent deuterium reaction pathways in the Li-N-D system. Physical Chemistry Chemical Physics, 12, 2089-2097. https://doi.org/10.1039/b903821n

Neutron diffraction data from in situ deuteration and dedeuteration of Li3N are presented under different pressure regimes, whereby reaction pathways differing from the widely reported stoichiometric pathway of Li3N + 2D22Li2ND + LiD + D22LiND2 + 2... Read More about Pressure-dependent deuterium reaction pathways in the Li-N-D system.

Hydrogenation reaction pathway in Li2Mg(NH)2 (2009)
Journal Article
Weidner, E., Dolci, F., Hu, J., Lohstroh, W., Hansen, T., Bull, D., & Fichtner, M. (2009). Hydrogenation reaction pathway in Li2Mg(NH)2. Journal of Physical Chemistry C, 113(35), 15772-15777. https://doi.org/10.1021/jp9034997

Results of the first time-resolved in situ neutron diffraction measurements during absorption of deuterium in Li2Mg(ND)2 reveal the occurrence of a two-stage reaction. The first stage involves the reaction to LiND2, LiD, and Li2Mg2(ND)3, with the sec... Read More about Hydrogenation reaction pathway in Li2Mg(NH)2.

Observation of novel phases during deuteration of lithium nitride from in situ neutron diffraction (2007)
Journal Article
Weidner, E., Bull, D., Shabalin, I., Keens, S., Telling, M., & Ross, D. (2007). Observation of novel phases during deuteration of lithium nitride from in situ neutron diffraction. Chemical Physics Letters, 444, 76-79. https://doi.org/10.1016/j.cplett.2007.07.010

We report on in situ neutron diffraction measurements during the deuteration of Li3N. A number of novel observations are described: The presence of cubic ‘quasi-imide’ phases with composition-dependent lattice parameters, the identification of Li4ND... Read More about Observation of novel phases during deuteration of lithium nitride from in situ neutron diffraction.

Monte Carlo simulation of quasielastic neutron scattering from localised and long-range hydrogen motion in C15 Laves phase intermetallic compounds (2003)
Journal Article
Bull, D., Broom, D., & Ross, D. (2003). Monte Carlo simulation of quasielastic neutron scattering from localised and long-range hydrogen motion in C15 Laves phase intermetallic compounds. Chemical Physics, 292(2-3), 153-160. https://doi.org/10.1016/S0301-0104%2803%2900155-1

A number of cubic C15 Laves phase intermetallic compounds are able to absorb large amounts of hydrogen. At low solute concentrations, the protons occupy tetrahedral interstitial sites, which form a network of hexagons. It is believed that the motion... Read More about Monte Carlo simulation of quasielastic neutron scattering from localised and long-range hydrogen motion in C15 Laves phase intermetallic compounds.

Static and dynamic correlation in lattice gas systems : an application to the intermetallic hydride ZrV2Hx (2001)
Thesis
Bull, D. Static and dynamic correlation in lattice gas systems : an application to the intermetallic hydride ZrV2Hx. (Thesis). University of Salford

CRT, a Monte Carlo program for the simulation of particle diffusion on a lattice gas is presented. The particle transition probability is calculated as a function of three parameters: lattice site energies, inter-particle interactions and neighbour... Read More about Static and dynamic correlation in lattice gas systems : an application to the intermetallic hydride ZrV2Hx.

A first-principles investigation on substitutions in the carbon allotropes glitter and graphene
Thesis
Baldissin, G. A first-principles investigation on substitutions in the carbon allotropes glitter and graphene. (Thesis). University of Salford

In the literature, a number of syntheses of carbon materials under extreme condition exhibit the presence of a carbon phase, called n-diamond, whose crystal structure remains unclear. Several crystallographic arrangements have been proposed, which... Read More about A first-principles investigation on substitutions in the carbon allotropes glitter and graphene.