Zobrazeno 1 - 10
of 45
pro vyhledávání: '"J. H. R. Clarke"'
Autor:
Steven Y. Liem, J. H. R. Clarke
Publikováno v:
The Journal of Chemical Physics. 121:4339-4345
We have carried out first principles plane wave density-functional theory calculations to study the adsorption of CO molecule on a clean and unreconstructed Cu (110) surface at 1/12 monolayer coverage and have investigated the subsequent oxidation by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20c2f2b0d9ac598214f293cf88d11016
https://doi.org/10.1063/1.1777219
https://doi.org/10.1063/1.1777219
Publikováno v:
Philosophical Transactions of the Royal Society of London A. Mathematical, Physical and Engineering Sciences, 362(1821), 1773-1781. Royal Society of London
Using mesoscale dissipative particle dynamics (DPD) simulations, which ignore all atomistic details, we show the formation of lamella mesophases by cooling a fully disordered system composed of symmetric (A7B7) rod-coil diblock copolymers. Equilibrat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15c7c2a3be8d2a3f59194a905d7e17ca
https://doi.org/10.1098/rsta.2004.1414
https://doi.org/10.1098/rsta.2004.1414
Autor:
J. H. R. Clarke, W. K. Den Otter
Publikováno v:
International Journal of Modern Physics C. 11:1179-1193
The two most popular algorithms for dissipative particle dynamics (DPD) are critically discussed. In earlier papers, the Groot–Warren algorithm with λ = 1/2 was recommended over the original Hoogerbrugge–Koelman scheme on the basis of a marked d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ccf59fe6c8365cef665b69fbd8608f6
https://doi.org/10.1142/s0129183100001012
https://doi.org/10.1142/s0129183100001012
Autor:
J. H R Clarke, S. Y. Liem
Publikováno v:
Molecular Physics. 92:19-25
A generalized implementation is presented of the Lekner method (Lekner, J., 1991, Physica A, 176, 485) of calculating Coulomb interactions in two-dimensionally periodic systems. The generalized scheme eliminates the restriction on the shape of the pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ff9344908b1f0b6eade5f60929550d0
https://doi.org/10.1080/002689797170563
https://doi.org/10.1080/002689797170563
Autor:
A. Baggaley, John O. Williams, O. Szczur, Terry King, David A. Leigh, L. E. Davis, J. H. R. Clarke, R. W. Munn, F. R. Mayers, M. M. Shabat, David C. West, A. Mohebati, M. Bishop
Publikováno v:
Molecular Crystals and Liquid Crystals. 235:201-208
Results are presented on the design, preparation and characterization of Langmuir-Blodgett films formed from stearyl (S) derivatives of DAN, MAP and NPP. Molecular dynamics modelling of trilayers composed of simplified molecules reveals buckling at t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::59f16253fac21fe7ac0d5d73e449bf53
https://doi.org/10.1080/10587259308055193
https://doi.org/10.1080/10587259308055193
Autor:
E. Enciso, A. H. Narten, M. L. Klein, M. G. Brereton, J. H. R. Clarke, I. W. Hamley, G. J. Moro, T. Dorfmüller, P. L. Nordio, J. Yarwood, C. Zannoni, M. Lal, G. C. Maitland, D. Cavagnat, G. Zerbi, R. G. Snyder, R. W. Pastor, H. D. Burrows, J. J. C. Teixeira-Dias, E. T. Samulski, J. W. Emsley, G. R. Luckhurst, D. J. Photinos, R. Y. Dong, C. Chachaty, G. van Ginkel
Publikováno v:
J. Chem. Soc., Faraday Trans.. 88:1913-1926
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f564da0ee3d3785125dc20c0f8d5012f
https://doi.org/10.1039/ft9928801913
https://doi.org/10.1039/ft9928801913
Autor:
Y. D. Yan, J. H. R. Clarke
Publikováno v:
The Journal of Chemical Physics. 93:4501-4509
Dynamic light scattering from highly concentrated colloidal systems with a narrow distribution of particle sizes can be interpreted in terms of the sum of two independent modes due, respectively, to collective diffusion and polydispersity fluctuation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4dc9761f3f08592ebba70c366040ed02
https://doi.org/10.1063/1.458690
https://doi.org/10.1063/1.458690
Publikováno v:
Advances in Chemical Physics, Volume 48
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7d02b66de3b31e04e17a68ad1b4a9907
https://doi.org/10.1002/9780470142684.ch5
https://doi.org/10.1002/9780470142684.ch5
Autor:
Terry King, J. H. R. Clarke, David C. West, John Williams, M. M. Shabat, M. Bishop, R. W. Munn, L. E. Davis, A. Mohebati, F. R. Mayers
Publikováno v:
Thin Solid Films. :185-187
Stearyl derivatives DNA, MAP and OPP yield LB films with second-harmonic generation (SHG) coefficients (SHG) coefficients measured as 7, 100 and 20×10 -9 esu. Molecular dynamics modelling predicts molecular tilts of about 20°, decreasing slightly i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::445b23a42a11ab51edc0ecb5f5d01b27
https://doi.org/10.1016/0040-6090(92)90205-p
https://doi.org/10.1016/0040-6090(92)90205-p
Autor:
J. H. R. Clarke
Publikováno v:
The Physics of Glassy Polymers ISBN: 9789401064729
The past decade has seen steadily growing activity in the detailed atomistic modelling of polymer melts and glasses. These studies have been aimed at improving our understanding of a variety of physical properties such as stress-strain behaviour, dif
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ede693defd75d8d57badf75e392828c8
https://doi.org/10.1007/978-94-011-5850-3_2
https://doi.org/10.1007/978-94-011-5850-3_2