Search Results - "Ackland, G. J"

Development of an interatomic potential for the simulation of phase transformations in zirconium by Mendelev, M. I., Ackland, G. J.

“…In recent years, some 30 studies have been published on the molecular dynamics (MD) of zirconium, primarily of its twinning deformation and response to…”
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Development of new interatomic potentials appropriate for crystalline and liquid iron by Mendelev, M. I., Han, S., Srolovitz, D. J., Ackland, G. J., Sun, D. Y., Asta, M.

“…Two procedures were developed to fit interatomic potentials of the embedded-atom method (EAM) form and applied to determine a potential which describes…”
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Mass-Radius Relationships for Exoplanets by Swift, D. C, Eggert, J. H, Hicks, D. G, Hamel, S, Caspersen, K, Schwegler, E, Collins, G. W, Nettelmann, N, Ackland, G. J

“…For planets other than Earth, particularly exoplanets, interpretation of the composition and structure depends largely on comparing the mass and radius with…”
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Compression and information entropy of binary strings from the collision history of three hard balls by Vedak, M, Ackland, G J

“…Abstract We investigate how to measure and define the entropy of a simple chaotic system, three hard spheres on a ring. A novel approach is presented, which…”
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Crystal structures of dense lithium: a metal-semiconductor-metal transition by Marqués, M, McMahon, M I, Gregoryanz, E, Hanfland, M, Guillaume, C L, Pickard, C J, Ackland, G J, Nelmes, R J

“…Ab initio random structure searching and single-crystal x-ray diffraction have been used to determine the full structures of three phases of lithium, recently…”
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Mechanism for radiation damage resistance in yttrium oxide dispersion strengthened steels by Brodrick, J., Hepburn, D.J., Ackland, G.J.

“…ODS steels based on yttrium oxide have been suggested as potential fusion reactor wall materials due to their observed radiation resistance properties…”
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Stabilization of large generalized Lotka-Volterra foodwebs by evolutionary feedback by ACKLAND, G. J, GALLAGHER, I. D

“…Conventional ecological models show that complexity destabilizes foodwebs, suggesting that foodwebs should have neither large numbers of species nor a large…”
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Technical challenges of modelling real-life epidemics and examples of overcoming these by Panovska-Griffiths, J., Waites, W., Ackland, G. J.

“…The coronavirus disease 2019 (COVID-19) pandemic has highlighted the importance of mathematical modelling in informing and advising policy decision-making…”
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Income and poverty in a developing economy by Chattopadhyay, A. K, Ackland, G. J, Mallick, S. K

“…We present a stochastic agent-based model for the distribution of personal incomes in a developing economy. We start with the assumption that incomes are…”
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Transition metal solute interactions with point defects in fcc iron from first principles by Hepburn, D. J., MacLeod, E., Ackland, G. J.

“…We present a comprehensive set of first-principles electronic structure calculations of the properties of substitutional transition metal solutes and point…”
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Applications of local crystal structure measures in experiment and simulation by Ackland, G. J., Jones, A. P.

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Efficacious calculation of Raman spectra in high pressure hydrogen by Ackland, G.J., Magdau, I.B.

“…We present and evaluate an efficient method for simulating Raman spectra from molecular dynamics calculations without defining normal modes. We apply the…”
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The Royal Society RAMP modelling initiative by Ackland, G J, Panovska-Griffiths, J, Waites, W, Cates, M E

“…Normally, science proceeds following a well-established set of principles. Studies are done with an emphasis on correctness, are submitted to a journal editor…”
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Origin of the complex crystal structures of elements at intermediate pressure by Ackland, G J, Macleod, I R

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Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles by Klaver, T. P. C., Hepburn, D. J., Ackland, G. J.

“…We present results of an extensive set of first-principles density functional theory calculations of point defect formation, binding, and clustering energies…”
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Free Energy of Crystalline Solids: A Lattice-Switch Monte Carlo Method by Bruce, A. D., Wilding, N. B., Ackland, G. J.

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Magnetically induced immiscibility in the Ising model of FeCr stainless steel by Ackland, G J

“…The iron-chromium alloy system has an unexplained anomaly: although there is a broad miscibility gap it appears to be favorable for chromium to dissolve in…”
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Embrittlement and the Bistable Crystal Structure of Zirconium Hydride by Ackland, G. J.

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Mechanical properties: Overcoming old barriers by Ackland, G J

“…Dislocation motion is crucial to the deformation of materials. The discovery that at least at lower temperatures quantum effects play an important role in this…”
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Simulation of martensitic microstructure by ACKLAND, G. J

“…The defects appearing during the process of martensitic transformation from bcc austenite to a microtextured hcp martensite are examined, with reference to…”
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