The long-chain dynamics in a model homopolymer blend under strong flow: small-angle neutron scattering and theory

Graham, Richard S.; Bent, Julian; Clarke, Nigel; Richards, Roy J.; Gough, Tim; Hoyle, David M.; Harlen, Oliver G.; Grillo, Isabelle; Auhl, Dietmar; McLeish, Tom

doi:10.1039/b817440g

Cited by 25 publications

(26 citation statements)

References 26 publications

(54 reference statements)

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“…This allows us to focus on the effect of the concentration of long chain molecules in a system with self similar polymer dynamics. An alternative approach would be to use a generalisation of the GLaMM model to bimodal blends as in [19], however, we do not consider this here.…”

Section: Bimodal Blendsmentioning

confidence: 97%

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Analytic calculation of nucleation rates from a kinetic Monte Carlo simulation of flow induced crystallization in polymers

Hamer¹,

Wattis²,

Graham³

2010

Journal of Non-Newtonian Fluid Mechanics

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Section: Bimodal Blendsmentioning

confidence: 97%

“…The first two terms in Eq. (19) are bulk volume reductions, the third is a cost due to the surface area and the final two are the costs due to concentrations of attaching species through stem addition. Due to the nested sums in Eq.…”

Section: Concentration Of Attaching Stemsmentioning

confidence: 99%

Analytic calculation of nucleation rates from a kinetic Monte Carlo simulation of flow induced crystallization in polymers

Hamer¹,

Wattis²,

Graham³

2010

Journal of Non-Newtonian Fluid Mechanics

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“…67 The ability to study liquid and buried interfaces using neutron refl ectometry has been a particular source of study, and reviews can be found in References 68 and 69. Despite the relatively low fl ux, neutron experiments, such as the x-ray ones alluded to previously, also can explore the effect of complex fl ows in both small-angle and refl ectivity geometries, 70,71 but the experiments are more challenging.…”

Section: Scattering Approachesmentioning

confidence: 99%

Developments in characterizing soft matter

Donald¹

2010

MRS Bull.

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Europe for unraveling the physics of messy materials ranging from cement to starch. This article is based, in part, on the topic area for which she received the award.Soft matter-also known as complex fl uids-is a fi eld of growing interest and importance, spanning many classes of materials, including polymers, biopolymers, colloids, and liquid crystals. Different approaches for microstructural characterization are more appropriate than those used for hard (and usually fully crystallized) materials such as metals and inorganic materials because of the time and length scales involved. This article discusses a range of techniques applicable to the characterization of soft matter, including environmental scanning electron microscopy (SEM) and microrheology. The former offers two key advantages for this class of material over conventional SEM because it requires neither a high vacuumwhich is a problem for hydrated samples-nor that an insulator be coated with a conductive material. Microrheology is well suited to small volumes of fl uid with low moduli that may be heterogeneous; it is capable of measuring gelation in real time.

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“…This is included in the simulation by modifying the kMC move rates: (20) Note that there are now Z stem addition moves (one for each entanglement segment), with an additional pre-factor of the concentration φ i . Each entanglement segment has a different degree of deformation and therefore attachment rate.…”

Section: Modelling Of Flowmentioning

confidence: 99%

A fast algorithm for simulating flow-induced nucleation in polymers

Jolley

Graham

2011

The Journal of Chemical Physics

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We present a fast computer simulation algorithm for high dimensional barrier crossing simulations. The algorithm is described with reference to the Graham and Olmsted (GO) model of flow-induced nucleation in polymers [R. S. Graham and P. D. Olmsted, Phys. Rev Lett. 103, 115702 (2009)]. Inspired by Chandler's barrier crossing algorithm [D. Chandler, J. Chem. Phys 68, 2959 (1978)], our algorithm simulates only the region around the top of the nucleation barrier, where the system deviates most strongly from equilibrium. When applied to the kinetic Monte Carlo (kMC) routine used in the GO model, our algorithm has two advantages: it requires very little additional coding; and it is simple enough to be applied to any barrier crossing problem that can be written in terms of a kMC simulation. Our fast nucleation algorithm is shown to vastly decrease the computer time required to perform the kMC simulations of high barrier crossing.

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The long-chain dynamics in a model homopolymer blend under strong flow: small-angle neutron scattering and theory

Cited by 25 publications

References 26 publications

Analytic calculation of nucleation rates from a kinetic Monte Carlo simulation of flow induced crystallization in polymers

Analytic calculation of nucleation rates from a kinetic Monte Carlo simulation of flow induced crystallization in polymers

Developments in characterizing soft matter

A fast algorithm for simulating flow-induced nucleation in polymers

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