Search Results - "Stoneham, A.M."

Odour character differences for enantiomers correlate with molecular flexibility by Brookes, Jennifer C, Horsfield, A.P, Stoneham, A.M

“…The olfactory system sensitively discerns scents from many small molecules as the brain analyses signals from nasal receptors. These receptors are selective to…”
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Radiation Effects in Glasses Used for Immobilization of High-level Waste and Plutonium Disposition by Weber, William J., Ewing, Rodney C., Angell, C. Austen, Arnold, George W., Cormack, Alastair N., Delaye, Jean Marc, Griscom, David L., Hobbs, Linn W., Navrotsky, Alexandra, Price, David L., Stoneham, A. Marshall, Weinberg, Michael C.

“…This paper is a comprehensive review of the state-of-knowledge in the field of radiation effects in glasses that are to be used for the immobilization of…”
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Role of image forces in non-contact scanning force microscope images of ionic surfaces by Kantorovich, L.N., Foster, A.S., Shluger, A.L., Stoneham, A.M.

“…We consider the effect of the image interaction on the force acting between tip and surface in non-contact scanning force microscope experiments. This…”
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Comparative theoretical study of the Ag–MgO (100) and (110) interfaces by Zhukovskii, Yu.F., Kotomin, E.A., Jacobs, P.W.M., Stoneham, A.M., Harding, J.H.

“…We have calculated the atomic and electronic structures of Ag–MgO(100) and (110) interfaces using a periodic (slab) model and an ab initio Hartree–Fock…”
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Silicon as a model ion trap: Time domain measurements of donor Rydberg states by Vinh, N.Q, Greenland, P.T, Litvinenko, K, Redlich, B, van der Meer, A.F.G, Lynch, S.A, Warner, M, Stoneham, A.M, Aeppli, G, Paul, D.J, Pidgeon, C.R, Murdin, B.N

“…One of the great successes of quantum physics is the description of the long-lived Rydberg states of atoms and ions. The Bohr model is equally applicable to…”
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Optical evidence of quantum rotor orbital excitations in orthorhombic manganites by Kovaleva, N. N., Kugel, K. I., Potůček, Z., Kusmartseva, O. E., Goryachev, N. S., Bryknar, Z., Demikhov, E. I., Trepakov, V. A., Dejneka, A., Kusmartsev, F. V., Stoneham, A. M.

“…In magnetic compounds with Jahn–Teller (JT) ions (such as Mn 3+ or Cu 2+ ), the ordering of the electron or hole orbitals is associated with cooperative…”
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A molecular dynamics study of diamond exposed to tritium bombardment for fusion applications by Dunn, A.R., Duffy, D.M., Stoneham, A.M.

“…Diamond, with its low atomic number and high thermal conductivity, is being assessed as a possible plasma facing material within a fusion reactor. Molecular…”
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Benefits in Cost and Reduced Discomfort of New Techniques of Minimally Invasive Cavity Treatment by Verde, A. Vila, Ramos, M.M.D., Stoneham, A.M.

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Oxygen vacancies in amorphous silica: structure and distribution of properties by Sushko, P.V., Mukhopadhyay, S., Stoneham, A.M., Shluger, A.L.

“…We used an ab initio embedded cluster method to study and compare three charged states of the Si-Si dimer configurations of oxygen vacancies in α-quartz and…”
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Materials modification by electronic excitation by Stoneham, A.M., Itoh, Noriaki

“…Electronic excitation by lasers or electron beams can modify the properties of materials. The changes are not just due to heat, nor do they result from the…”
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Correlated electron-ion dynamics in metallic systems by Horsfield, A.P., Finnis, M., Foulkes, M., LePage, J., Mason, D., Race, C., Sutton, A.P., Bowler, D.R., Fisher, A.J., Miranda, R., Stella, L., Stoneham, A.M., Dundas, D., McEniry, E., Todorov, T.N., Sánchez, C.G.

“…In this paper we briefly discuss the problem of simulating non-adiabatic processes in systems that are usefully modelled using molecular dynamics. In…”
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Why model high-k dielectrics? by Stoneham, A.M.

“…New dielectrics need more than a high dielectric constant. They need to satisfy various constraints concerning band offsets, limits on charge traps,…”
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Exploiting the excited state by Stoneham, A.M.

“…The major ideas of microelectronics are associated with the electronic ground state, or with states thermally accessible at modest temperatures. Photonics, and…”
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Mesoscopic modelling of bipolar charge evolution in CN-PPV LEDs by Ramos, Marta M.D., Correia, Helena M.G., Ribeiro, R. Mendes, Stoneham, A.M.

“…Since various changes are possible in the molecular structure of the repeat unit, substituted poly(para-phenylenevinylene) (PPV) has been used as active…”
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The different roles of charged and neutral atomic and molecular oxidising species in silicon oxidation from ab initio calculations by Szymanski, M.A, Stoneham, A.M, Shluger, A

“…We examine the roles of charged and neutral oxidising species based on extensive ab initio DFT calculations. Six species are considered: interstitial atomic O,…”
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Electronic and defect processes in oxides. The polaron in action by Stoneham, A.M.

“…The basic processes involving space charge are charge localization (including trapping) and charge transport. These processes may be associated with energy…”
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Effect of molecular properties on the performance of polymer light-emitting diodes by Ramos, Marta M.D., Almeida, A.M., Correia, Helena M.G., Ribeiro, R.Mendes, Stoneham, A.M.

“…The performance of a single layer polymer light-emitting diode depends on several interdependent factors, although recombination between electrons and holes…”
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Computer simulation of interfaces: What do we need to know? by Stoneham, A.M., Harding, J.H.

“…We analyze some of the key challenges in the computer simulation of interfaces. These fall into three main groups. First, there are challenges associated with…”
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The mesoscopic modeling of laser ablation by Stoneham, A.M., Ramos, M.M.D., Ribeiro, R.M.

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Formation and relaxation energies of electronic holes in LaMnO3 crystal by Kovaleva, N.N., Gavartin, J.L., Shluger, A.L., Boris, A.V., Stoneham, A.M.

“…We use the Mott–Littleton approach to evaluate the electronic and ionic polarisation energies in LaMnO3 lattice associated with holes localised on both Mn3+…”
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