Outputs (1330)

Predictive identification of co-formers in co-amorphous systems (2020)
Journal Article
Chambers, L. I., Grohganz, H., Palmelund, H., Löbmann, K., Rades, T., Musa, O. M., & Steed, J. W. (2021). Predictive identification of co-formers in co-amorphous systems. European Journal of Pharmaceutical Sciences, 157, Article 105636. https://doi.org/10.1016/j.ejps.2020.105636

This work aims to understand the properties of co-formers that form co-amorphous pharmaceutical materials and to predict co-amorphous system formation. A partial least square – discriminant analysis (PLS-DA) was performed using known co-amorphous sys... Read More about Predictive identification of co-formers in co-amorphous systems.

Suppressing Dimer Formation by Increasing Conformational Freedom in Multi-Carbazole Thermally Activated Delayed Fluorescence Emitters (2020)
Journal Article
Salah, L., Etherington, M., Shuaib, A., Danos, A., Nazeer, A., Ghazal, B., …Makhseed, S. (2021). Suppressing Dimer Formation by Increasing Conformational Freedom in Multi-Carbazole Thermally Activated Delayed Fluorescence Emitters. Journal of Materials Chemistry C Materials for optical and electronic devices, 9(1), 189-198. https://doi.org/10.1039/d0tc04222f

Ideal emitters for organic light-emitting diodes (OLEDs) are capable of efficiently harvesting non-emissive triplet states, have high colour stabilities, and possess high photoluminescence quantum yields (PLQYs). Maintaining colour stability and PLQY... Read More about Suppressing Dimer Formation by Increasing Conformational Freedom in Multi-Carbazole Thermally Activated Delayed Fluorescence Emitters.

Ductile and Brittle Yielding in Thermal and Athermal Amorphous Materials (2020)
Journal Article
Barlow, H. J., Cochran, J. O., & Fielding, S. M. (2020). Ductile and Brittle Yielding in Thermal and Athermal Amorphous Materials. Physical Review Letters, 125(16), Article 168003. https://doi.org/10.1103/physrevlett.125.168003

We study theoretically the yielding of sheared amorphous materials as a function of increasing levels of initial sample annealing prior to shear, in three widely used constitutive models and three widely studied annealing protocols. In thermal system... Read More about Ductile and Brittle Yielding in Thermal and Athermal Amorphous Materials.

Control of Porphyrin Planarity and Aggregation by Covalent Capping: Bissilyloxy Porphyrin Silanes (2020)
Journal Article
Hussein, B., Shakeel, Z., Turley, A., Bismillah, A., Wolfstadt, K., Pia, J., …Adler, M. (2020). Control of Porphyrin Planarity and Aggregation by Covalent Capping: Bissilyloxy Porphyrin Silanes. Inorganic Chemistry, 59(18), 13533-13541. https://doi.org/10.1021/acs.inorgchem.0c01891

Porphyrins are cornerstone functional materials that are useful in a wide variety of settings, ranging from molecular electronics to biology and medicine. Their applications are often hindered, however, by poor solubilities that result from their ext... Read More about Control of Porphyrin Planarity and Aggregation by Covalent Capping: Bissilyloxy Porphyrin Silanes.

An experimentally validated numerical model for bubble growth in magma (2020)
Journal Article
Coumans, J., Llewellin, E., Wadsworth, F., Humphreys, M., Mathias, S., Yelverton, B., & Gardner, J. (2020). An experimentally validated numerical model for bubble growth in magma. Journal of Volcanology and Geothermal Research, 402, Article 107002. https://doi.org/10.1016/j.jvolgeores.2020.107002

Volcanic eruptions are driven by the growth of gas bubbles in magma. The timing and rate of bubble growth are important because they determine whether enough gas pressure can develop to fragment the melt. Bubbles grow in response to decompression and... Read More about An experimentally validated numerical model for bubble growth in magma.

Explosive-effusive volcanic eruption transitions caused by sintering (2020)
Journal Article
Wadsworth, F. B., Llewellin, E. W., Vasseur, J., Gardner, J. E., & Tuffen, H. (2020). Explosive-effusive volcanic eruption transitions caused by sintering. Science Advances, 6(39), Article eaba7940. https://doi.org/10.1126/sciadv.aba7940

Silicic volcanic activity has long been framed as either violently explosive or gently effusive. However, recent observations demonstrate that explosive and effusive behavior can occur simultaneously. Here, we propose that rhyolitic magma feeding sub... Read More about Explosive-effusive volcanic eruption transitions caused by sintering.

Interplay of edge fracture and shear banding in complex fluids (2020)
Journal Article
Hemingway, E. J., & Fielding, S. M. (2020). Interplay of edge fracture and shear banding in complex fluids. Journal of Rheology, 64(5), Article 1147. https://doi.org/10.1122/8.0000086

We explore theoretically the interplay between shear banding and edge fracture in complex fluids by performing a detailed simulation study within two constitutive models: the Johnson–Segalman model and the Giesekus model. We consider separately param... Read More about Interplay of edge fracture and shear banding in complex fluids.

Lilypad aggregation: localised self-assembly and metal sequestration at a liquid-vapour interface (2020)
Journal Article
Jones, C. D., Lewis, A. R., Jones, D. R., Ottley, C., Liu, K., & Steed, J. W. (2020). Lilypad aggregation: localised self-assembly and metal sequestration at a liquid-vapour interface. Chemical Science, 11(28), 7501-7510. https://doi.org/10.1039/d0sc02190c

Spatially resolved soft materials, such as vesicles and microgels, have shown promise as selective adsorbents and microscale reaction vessels. However, spatiotemporal control of aggregation can be difficult to achieve. In this study, nickel(II) chlor... Read More about Lilypad aggregation: localised self-assembly and metal sequestration at a liquid-vapour interface.

Quantifying Microstructural Evolution in Moving Magma (2020)
Journal Article
Dobson, K. J., Allabar, A., Bretagne, E., Coumans, J., Cassidy, M., Cimarelli, C., …Wanelik, K. (2020). Quantifying Microstructural Evolution in Moving Magma. Frontiers in Earth Science, 8, https://doi.org/10.3389/feart.2020.00287

Many of the grand challenges in volcanic and magmatic research are focused on understanding the dynamics of highly heterogeneous systems and the critical conditions that enable magmas to move or eruptions to initiate. From the formation and developme... Read More about Quantifying Microstructural Evolution in Moving Magma.

Chain-stretch relaxation from low-frequency Fourier transform rheology (2020)
Journal Article
Reynolds, C., Hoyle, D., McLeish, T., & Thompson, R. (2020). Chain-stretch relaxation from low-frequency Fourier transform rheology. Physical Review Research, 2(3), Article 033457. https://doi.org/10.1103/physrevresearch.2.033457

Medium- or large-amplitude oscillatory shear (MAOS and LAOS, respectively) is sensitive to polymer chain structure, yet poses unsolved challenges for a priori structural characterization. We present a MAOS protocol applied to near-monodisperse linear... Read More about Chain-stretch relaxation from low-frequency Fourier transform rheology.

Permeability of polydisperse magma foam (2020)
Journal Article
Dingwell, D. B., Wadsworth, F. B., & Vasseur, J. (2020). Permeability of polydisperse magma foam. Geology, 48(6), 536-540. https://doi.org/10.1130/g47094.1

Effective models for the evolution of magma permeability are key to understanding shallow magma ascent and eruption dynamics. Models are generally empirical constructs, commonly focused on monodisperse systems, and unable to cope with the foam limit... Read More about Permeability of polydisperse magma foam.

Minimizing polymorphic risk through cooperative computational and experimental exploration (2020)
Journal Article
Taylor, C. R., Mulvee, M. T., Perenyi, D. S., Probert, M. R., Day, G. M., & Steed, J. W. (2020). Minimizing polymorphic risk through cooperative computational and experimental exploration. Journal of the American Chemical Society, 142(39), 16668-16680. https://doi.org/10.1021/jacs.0c06749

We combine state-of-the-art computational crystal structure prediction (CSP) techniques with a wide range of experi-mental crystallization methods to understand and explore crystal structure in pharmaceuticals and minimize the risk of unanticipated l... Read More about Minimizing polymorphic risk through cooperative computational and experimental exploration.

Axisymmetric flows on the torus geometry (2020)
Journal Article
Busuioc, S., Kusumaatmaja, H., & Ambruş, V. E. (2020). Axisymmetric flows on the torus geometry. Journal of Fluid Mechanics, 901, Article A9. https://doi.org/10.1017/jfm.2020.440

We present a series of analytically solvable axisymmetric flows on the torus geometry. For the single-component flows, we describe the propagation of sound waves for perfect fluids, as well as the viscous damping of shear and longitudinal waves for i... Read More about Axisymmetric flows on the torus geometry.

Three-dimensional data capture and analysis of intact eye lenses evidences emmetropia-associated changes and strain-dependent differences in epithelial cell organization (2020)
Journal Article
Kalligeraki, A. A., Isted, A., Pal, R., Saunter, C., Girkin, J., Jarrin, M., …Quinlan, R. A. (2020). Three-dimensional data capture and analysis of intact eye lenses evidences emmetropia-associated changes and strain-dependent differences in epithelial cell organization. Scientific Reports, 10, Article 16898. https://doi.org/10.1038/s41598-020-73625-9

Organ and tissue development are highly coordinated processes; lens growth and functional integration into the eye (emmetropia) is a robust example. An epithelial monolayer covers the anterior hemisphere of the lens, and its organization is the key t... Read More about Three-dimensional data capture and analysis of intact eye lenses evidences emmetropia-associated changes and strain-dependent differences in epithelial cell organization.

Critical pressure asymmetry in the enclosed fluid diode (2020)
Journal Article
Panter, J. R., Gizaw, Y., & Kusumaatmaja, H. (2020). Critical pressure asymmetry in the enclosed fluid diode. Langmuir, 36(26), 7463-7473. https://doi.org/10.1021/acs.langmuir.0c01039

Joint physically and chemically pattered surfaces can provide efficient and passive manipulation of fluid flow. The ability of many of these surfaces to allow only unidirectional flow mean they are often referred to as fluid diodes. Synthetic analogu... Read More about Critical pressure asymmetry in the enclosed fluid diode.

Enhanced lifetime of Organic Photovoltaic diodes achieved by blending with PMMA: Impact of morphology and Donor:Acceptor combination (2020)
Journal Article
Nieto-Díaz, B. A., Pearson, C., Al-Busaidi, Z., Bowen, L., Petty, M. C., & Groves, C. (2021). Enhanced lifetime of Organic Photovoltaic diodes achieved by blending with PMMA: Impact of morphology and Donor:Acceptor combination. Solar Energy Materials and Solar Cells, 219, Article 110765. https://doi.org/10.1016/j.solmat.2020.110765

In order to realise the potential of organic photovoltaic devices (OPVs) to provide cheap, scalable access to renewable energy, it is necessary to improve their lifetime and cost of encapsulation. The aim of this work is to achieve these aims by blen... Read More about Enhanced lifetime of Organic Photovoltaic diodes achieved by blending with PMMA: Impact of morphology and Donor:Acceptor combination.

Petrophysical properties, mechanical behaviour, and failure modes of impact melt-bearing breccia (suevite) from the Ries impact crater (Germany) (2020)
Journal Article
Heap, M. J., Gilg, H. A., Byrne, P. K., Wadsworth, F. B., & Reuschlé, T. (2020). Petrophysical properties, mechanical behaviour, and failure modes of impact melt-bearing breccia (suevite) from the Ries impact crater (Germany). Icarus, 349, Article 113873. https://doi.org/10.1016/j.icarus.2020.113873

The physical properties and mechanical behaviour of impactites are an important parameter in fluid flow models and slope stability and landscape evolution assessments for heavily impacted planetary bodies. We first present porosity, permeability, You... Read More about Petrophysical properties, mechanical behaviour, and failure modes of impact melt-bearing breccia (suevite) from the Ries impact crater (Germany).

Co-transcriptional folding of a bio-orthogonal fluorescent scaffolded RNA origami (2020)
Journal Article
Torelli, E., Kozyra, J., Shirt-Ediss, B., Piantanida, L., Voïtchovsky, K., & Krasnogor, N. (2020). Co-transcriptional folding of a bio-orthogonal fluorescent scaffolded RNA origami. ACS Synthetic Biology, 9(7), 1682-1692. https://doi.org/10.1021/acssynbio.0c00009

The scaffolded origami technique is an attractive tool for engineering nucleic acid nanostructures. This paper demonstrates scaffolded RNA origami folding in vitro in which, for the first time, all components are transcribed simultaneously in a singl... Read More about Co-transcriptional folding of a bio-orthogonal fluorescent scaffolded RNA origami.

OpenLB—Open source lattice Boltzmann code (2020)
Journal Article
Krause, M. J., Kummerländer, A., Avis, S. J., Kusumaatmaja, H., Dapelo, D., Klemens, F., …Simonis, S. (2021). OpenLB—Open source lattice Boltzmann code. Computers and Mathematics with Applications, 81, 258-288. https://doi.org/10.1016/j.camwa.2020.04.033

We present the OpenLB package, a C++ library providing a flexible framework for lattice Boltzmann simulations. The code is publicly available and published under GNU GPLv2, which allows for adaption and implementation of additional models. The extens... Read More about OpenLB—Open source lattice Boltzmann code.

Phase transitions on non-uniformly curved surfaces: Coupling between phase and location (2020)
Journal Article
Law, J. O., Dean, J. M., Miller, M. A., & Kusumaatmaja, H. (2020). Phase transitions on non-uniformly curved surfaces: Coupling between phase and location. Soft Matter, 16(34), 8069-8077. https://doi.org/10.1039/d0sm00652a

For particles confined to two dimensions, any curvature of the surface affects the structural, kinetic and thermodynamic properties of the system. If the curvature is non-uniform, an even richer range of behaviours can emerge. Using a combination of... Read More about Phase transitions on non-uniformly curved surfaces: Coupling between phase and location.