Dr Andrew J Haslam

Franco-Melgar M, Haslam AJ, Jackson G, 2009, Advances in generalised van der Waals approaches for the isotropic-nematic fluid phase equilibria of thermotropic liquid crystals-an algebraic equation of state for attractive anisotropic particles with the Onsager trial function, MOLECULAR PHYSICS, Vol: 107, Pages: 2329-2358, ISSN: 0026-8976

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• Citations: 32

Haslam AJ, Galindo A, Jackson G, 2008, Predicting binary interaction parameters for use in modelling fluid mixtures, AIChE Annual Meeting, Conference Proceedings

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Lo BP, Haslam AJ, Adjiman CS, 2008, An algorithm for the estimation of parameters in models with stochastic differential equations, CHEMICAL ENGINEERING SCIENCE, Vol: 63, Pages: 4820-4833, ISSN: 0009-2509

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• Citations: 6

Haslam AJ, Galindo A, Jackson G, 2008, Prediction of binary intermolecular potential parameters for use in modelling fluid mixtures, FLUID PHASE EQUILIBRIA, Vol: 266, Pages: 105-128, ISSN: 0378-3812

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• Citations: 117

Franco-Melgar M, Haslam AJ, Jackson G, 2008, A generalisation of the Onsager trial-function approach: describing nematic liquid crystals with an algebraic equation of state, MOLECULAR PHYSICS, Vol: 106, Pages: 649-678, ISSN: 0026-8976

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• Citations: 51

Pereira Lo B, Haslam AJ, Adjiman CS, 2006, Chapter 1 Parameter estimation for stochastic differential equations: algorithm and application to polymer melt rheology, Computer Aided Chemical Engineering, Vol: 21, Pages: 143-148, ISSN: 1570-7946

A parameter estimation algorithm for stochastic differential equation (SDE) systems is proposed. The problem is formulated using the maximum likelihood (MLE) objective function, and a modified Levenberg-Marquardt (LM) algorithm is developed for its solution. Stochastic sensitivity equations are derived and used in order to obtain reliable parameter estimates. Computational efficiency is addressed by varying the simulation size according to the proximity of the current iterate to the optimal solution, as indicated by the magnitude of the trust-region radius. To evaluate the confidence intervals of the parameters, a global uncertainty analysis is proposed, which is based on sampling and accounts for experimental uncertainty and model noise. The algorithm is applied to a stochastic model of polymer rheology. © 2006 Elsevier B.V. All rights reserved.

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Clark GNI, Haslam AJ, Galindo A, Jackson Get al., 2006, Developing optimal Wertheim-like models of water for use in Statistical Associating Fluid Theory (SAFT) and related approaches, MOLECULAR PHYSICS, Vol: 104, Pages: 3561-3581, ISSN: 0026-8976

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• Citations: 153

Haslam AJ, von Solms N, Adjiman CS, Galindo A, Jackson G, Paricaud P, Michelsen ML, Kontogeorgis GMet al., 2006, Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR, FLUID PHASE EQUILIBRIA, Vol: 243, Pages: 74-91, ISSN: 0378-3812

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• Citations: 32

Haslam AJ, Moen Ø, Adjiman CS, Galindo A, Jacksona Get al., 2006, Chapter 5 Design of polyolefin reactor mixtures, Vol: 22, Pages: 301-332, ISSN: 1570-7946

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• Citations: 1

Lo BP, Haslam AJ, Adjiman CS, Laso Met al., 2006, Chapter 3 A method for the systematic estimation of parameters for a stochastic reptation model, Vol: 22, Pages: 69-83, ISSN: 1570-7946

A parameter estimation algorithm for the thermodynamically consistent reptation model (Öttinger, 1999; Fang et al., 2000), which is based on stochastic differential equations, is proposed. The problem is formulated using the maximum likelihood (MLE) objective function, and a modified Levenberg-Marquardt algorithm is developed for its solution. Stochastic sensitivity equations are derived and used in order to obtain reliable parameter estimates. The issue of computational efficiency is addressed by varying the number of ensembles used in the integration of model based on the proximity of the current iterate to the optimal solution, as quantified by the magnitude of the trust region radius. The algorithm is applied to data for a sample of LDPE, to estimate mesoscale polymer properties from measurements of shear viscosity. © 2006 Elsevier B.V. All rights reserved.

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Pereira Lo B, Haslam AJ, Adjiman CS, 2006, Parameter estimation for stochastic differential equations: algorithm and application to polymer melt rheology, 16th European Symposium on Computer-Aided Process Engineering

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Lo BP, Haslam AJ, Adjiman CS, 2006, A method for the systematic estimation of parameters for a stochastic reptation model, Computer-Aided Chemical Engineering; Multiscale Modelling of Polymer Properties, Editors: Laso, Perpète, Amsterdam, Publisher: Elsevier, Pages: 69-84, ISBN: 978-0-444-52187-3

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Haslam AJ, Moen Ø, Adjiman CS, Galindo A, Jackson Get al., 2006, Design of polyolefin reactor mixtures, Computer Aided Chemical Engineering; Multiscale Modelling of Polymer Properties, Editors: Laso, Perpète, Amsterdam, Publisher: Elsevier, Pages: 301-332, ISBN: 978-0-444-52187-3

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Lo BP, Haslam AJ, Adjiman CSJ, 2005, Parameter estimation for stochastic differential models: Application to a model of polymer rheology, AIChE Annual Meeting, Conference Proceedings

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Haslam AJ, Yamakov V, Moldovan D, Wolf D, Phillpot SR, Gleiter Het al., 2004, Effects of grain growth on grain-boundary diffusion creep by molecular-dynamics simulation, ACTA MATERIALIA, Vol: 52, Pages: 1971-1987, ISSN: 1359-6454

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• Citations: 57

Haslam AJ, Yamakov V, Moldovan D, Wolf D, Phillpot SR, Gleiter Het al., 2004, Stress-enhanced grain growth in nanocrystalline materials, Modeling and Simulating Materials Nanoworld (Part C), 3rd International Conference Computational Modeling and Simulation of Materials, Publisher: CIMTEC

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Galindo A, Haslam AJ, Varga S, Jackson G, Vanakaras AG, Photinos DJ, Dunmur DAet al., 2003, The phase behavior of a binary mixture of rodlike and disclike mesogens: Monte Carlo simulation, theory, and experiment, JOURNAL OF CHEMICAL PHYSICS, Vol: 119, Pages: 5216-5225, ISSN: 0021-9606

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• Citations: 51

Haslam AJ, Moldovan D, Yamakov V, Wolf D, Phillpot SR, Gleiter Het al., 2003, Stress-enhanced grain growth in a nanocrystalline material by molecular-dynamics simulation, ACTA MATERIALIA, Vol: 51, Pages: 2097-2112, ISSN: 1359-6454

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• Citations: 210

Moldovan D, Haslam AJ, Wolf D, 2003, Multiscale Simulation of Grain Growth in Nanocrystalline Materials, 2nd MIT Conference, Pages: 482-485

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Moldovan D, Wolf D, Phillpot SR, Haslam AJet al., 2003, Grain rotation as a mechanism of grain growth in nanocrystalline materials, ICASE/LARC Interdisciplinary Series in Science and Engineering; Trends in Nano-Scale Mechanics: Analysis of Nanostructured Materials and Multi-Scale Modeling, Editors: Harik, Salas, The Netherlands, Publisher: Kluwar Academic, Pages: 35-39

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Moldovan D, Wolf D, Phillpot SR, Haslam AJet al., 2002, Role of grain rotation during grain growth in a columnar microstructure by mesoscale simulation, ACTA MATERIALIA, Vol: 50, Pages: 3397-3414, ISSN: 1359-6454

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• Citations: 91

Moldovan D, Wolf D, Phillpot SR, Haslam AJet al., 2002, Multiscale Simulation of Grain Growth in Nanocrystalline Thin Films, NASA Workshop, Publisher: NASA CP-2002-211741, Pages: 299-330

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Haslam AJ, Moldovan D, Phillpot SR, Wolf D, Gleiter Het al., 2002, Combined atomistic and mesoscale simulation of grain growth in nanocrystalline thin films, Meeting of the International Union of Matierals Research Societies (IUMRS), Publisher: ELSEVIER, Pages: 15-32, ISSN: 0927-0256

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• Citations: 59

Moldovan D, Wolf D, Phillpot SR, Haslam AJet al., 2002, Mesoscopic simulation of two-dimensional grain growth with anisotropic grain-boundary properties, Philosophical Magazine A, Vol: 82, Pages: 1271-1297

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Haslam AJ, Phillpot SR, Wolf D, Moldovan D, Gleiter Het al., 2001, Mechanisms of grain growth in nanocrystalline fcc metals by molecular-dynamics simulations, Materials Science and Engineering A, Vol: 318, Pages: 293-312

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Haslam AJ, Jackson G, McLeish TCB, 1999, Monte Carlo simulation study of the induced deformation of polymer chains dissolved in stretched networks, MACROMOLECULES, Vol: 32, Pages: 7289-7298, ISSN: 0024-9297

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• Citations: 10

Haslam AJ, Jackson G, McLeish TCB, 1999, An investigation of the shape and crossover scaling of flexible tangent hard-sphere polymer chains by Monte Carlo simulation, JOURNAL OF CHEMICAL PHYSICS, Vol: 111, Pages: 416-428, ISSN: 0021-9606

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• Citations: 13