Outputs (1330)

A robust and memory-efficient transition state search method for complex energy landscapes (2022)
Journal Article
Avis, S. J., Panter, J. R., & Kusumaatmaja, H. (2022). A robust and memory-efficient transition state search method for complex energy landscapes. The Journal of Chemical Physics, 157(12), Article 124107. https://doi.org/10.1063/5.0102145

Locating transition states is crucial for investigating transition mechanisms in wide-ranging phenomena, from atomistic to macroscale systems. Existing methods, however, can struggle in problems with a large number of degrees of freedom, on-the-fly a... Read More about A robust and memory-efficient transition state search method for complex energy landscapes.

Designer Gelators for the Crystallization of a Salt Active Pharmaceutical Ingredient─Mexiletine Hydrochloride (2022)
Journal Article
Andrews, J. L., Kennedy, S. R., Yufit, D. S., McCabe, J. F., & Steed, J. W. (2022). Designer Gelators for the Crystallization of a Salt Active Pharmaceutical Ingredient─Mexiletine Hydrochloride. Crystal Growth and Design, 22(11), 6775-6785. https://doi.org/10.1021/acs.cgd.2c00925

We report an approach to obtain drug-mimetic supramolecular gelators, which are capable of stabilizing metastable polymorphs of the pharmaceutical salt mexiletine hydrochloride, a highly polymorphic antiarrhythmic drug. Solution-phase screening led t... Read More about Designer Gelators for the Crystallization of a Salt Active Pharmaceutical Ingredient─Mexiletine Hydrochloride.

Anisotropic thermal expansion effects in layered n-Alkyl carboxylic acid – bipyridyl cocrystals (2021)
Journal Article
Hall, A. V., Yufit, D. S., Zhang, Y., Musa, O. M., & Steed, J. W. (2021). Anisotropic thermal expansion effects in layered n-Alkyl carboxylic acid – bipyridyl cocrystals. Supramolecular Chemistry, 33(10), https://doi.org/10.1080/10610278.2022.2117623

Cocrystallisation of butanoic acid (BA), pentanoic acid (PA), and eicosanoic acid (EA) with 4,4’-azopyridine (azp) and trans-1,2-bis(4-pyridyl)ethylene (bpe) results in 2:1 lamellar cocrystals. All cocrystals display the OH···Npyridyl seven-membered... Read More about Anisotropic thermal expansion effects in layered n-Alkyl carboxylic acid – bipyridyl cocrystals.

Bubble rise in molten glasses and silicate melts during heating and cooling cycles (2022)
Journal Article
Jackson, L. E., Wadsworth, F. B., Mitchell, J., Rennie, C., Llewellin, E. W., Hess, K., & Dingwell, D. B. (2022). Bubble rise in molten glasses and silicate melts during heating and cooling cycles. Journal of the American Ceramic Society, 105(12), 7238-7253. https://doi.org/10.1111/jace.18680

The Hadamard–Rybczynski equation describes the steady-state buoyant rise velocity of an unconfined spherical bubble in a viscous liquid. This solution has been experimentally validated for the case where the liquid viscosity is held constant. Here, w... Read More about Bubble rise in molten glasses and silicate melts during heating and cooling cycles.

Structured ternary fluids as nanocrystal incubators for enhanced crystallization control (2022)
Journal Article
Maunder, J., Aguilar, J., Hodgkinson, P., & Cooper, S. (2022). Structured ternary fluids as nanocrystal incubators for enhanced crystallization control. Chemical Science, 13(44), 13132-13140. https://doi.org/10.1039/d2sc04413g

In crystallization from solution, a ubiquitous process in both industry and the natural world, nucleation is usually the rate-determining step, followed by faster crystal growth. Consequently, crystals typically exist in the nm-size range for such li... Read More about Structured ternary fluids as nanocrystal incubators for enhanced crystallization control.

In-conduit capture of sub-micron volcanic ash particles via turbophoresis and sintering (2022)
Journal Article
Farquharson, J. I., Tuffen, H., Wadsworth, F. B., Castro, J. M., Unwin, H., & Schipper, C. I. (2022). In-conduit capture of sub-micron volcanic ash particles via turbophoresis and sintering. Nature Communications, 13, Article 4713. https://doi.org/10.1038/s41467-022-32522-7

Ash emission in explosive silicic eruptions can have widespread impacts for human health, agriculture, infrastructure, and aviation. Estimates of the total grainsize distribution (TGSD) generated during explosive magma fragmentation underpins eruptio... Read More about In-conduit capture of sub-micron volcanic ash particles via turbophoresis and sintering.

Hydroxide films on mica form charge-stabilized microphases that circumvent nucleation barriers (2022)
Journal Article
Legg, B., Voïtchovsky, K., & De Yoreo, J. (2022). Hydroxide films on mica form charge-stabilized microphases that circumvent nucleation barriers. Science Advances, 8(35), Article eabn7087. https://doi.org/10.1126/sciadv.abn7087

Crystal nucleation is facilitated by transient, nanoscale fluctuations that are extraordinarily difficult to observe. Here, we use high-speed atomic force microscopy to directly observe the growth of an aluminum hydroxide film from an aqueous solutio... Read More about Hydroxide films on mica form charge-stabilized microphases that circumvent nucleation barriers.

The initial phase of the 2021 Cumbre Vieja ridge eruption (Canary Islands): Products and dynamics controlling edifice growth and collapse (2022)
Journal Article
Romero, J. E., Burton, M., Cáceres, F., Taddeucci, J., Civico, R., Ricci, T., …Perez, N. M. (2022). The initial phase of the 2021 Cumbre Vieja ridge eruption (Canary Islands): Products and dynamics controlling edifice growth and collapse. Journal of Volcanology and Geothermal Research, 431, Article 107642. https://doi.org/10.1016/j.jvolgeores.2022.107642

Tajogaite cone in the Cumbre Vieja ridge (La Palma, Canary Islands) erupted between 19 September and 13 December 2021. The tephra and lava sourced from the newly formed fissure rapidly built a pyroclastic cone. During the early days of eruption and a... Read More about The initial phase of the 2021 Cumbre Vieja ridge eruption (Canary Islands): Products and dynamics controlling edifice growth and collapse.

The secrets to successful entrepreneurship: How occupational experience shapes the creation and performance of start-ups (2022)
Journal Article
Wu, Y., Maas, G., Zhang, Y., Chen, F., Xia, S., Fernandes, K., & Tian, K. (2023). The secrets to successful entrepreneurship: How occupational experience shapes the creation and performance of start-ups. International Journal of Entrepreneurial Behavior & Research, 29(2), 354-384. https://doi.org/10.1108/ijebr-09-2021-0748

Purpose Previous experience is a critical factor affecting entrepreneurial activities; however, it has not been fully studied in the existing literature. This study attempts to comprehensively reveal the routes and mechanisms of occupational experien... Read More about The secrets to successful entrepreneurship: How occupational experience shapes the creation and performance of start-ups.

Spontaneous phase separation of ternary fluid mixtures (2022)
Journal Article
Shek, A. C., & Kusumaatmaja, H. (2022). Spontaneous phase separation of ternary fluid mixtures. Soft Matter, 18(31), 5807-5814. https://doi.org/10.1039/d2sm00413e

We computationally study the spontaneous phase separation of ternary fluid mixtures using the lattice Boltzmann method both when all the surface tensions are equal and when they have different values. To rationalise the phase diagram of possible phas... Read More about Spontaneous phase separation of ternary fluid mixtures.

Encapsulated bacteria deform lipid vesicles into flagellated swimmers (2022)
Journal Article
Le Nagard, L., Brown, A. T., Dawson, A., Martinez, V. A., Poon, W. C., & Staykova, M. (2022). Encapsulated bacteria deform lipid vesicles into flagellated swimmers. Proceedings of the National Academy of Sciences, 119(34), https://doi.org/10.1073/pnas.2206096119

We study a synthetic system of motile Escherichia coli bacteria encapsulated inside giant lipid vesicles. Forces exerted by the bacteria on the inner side of the membrane are sufficient to extrude membrane tubes filled with one or several bacteria. W... Read More about Encapsulated bacteria deform lipid vesicles into flagellated swimmers.

Aging in a mean field elastoplastic model of amorphous solids (2020)
Journal Article
Parley, J. T., Fielding, S. M., & Sollich, P. (2020). Aging in a mean field elastoplastic model of amorphous solids. Physics of Fluids, 32(12), Article 127104. https://doi.org/10.1063/5.0033196

We construct a mean-field elastoplastic description of the dynamics of amorphous solids under arbitrary time-dependent perturbations, building on the work of Lin and Wyart [Phys. Rev. X 6, 011005 (2016)] for steady shear. Local stresses are driven by... Read More about Aging in a mean field elastoplastic model of amorphous solids.

Development, structure, and behavior of a perched lava channel at Kīlauea Volcano, Hawaiʻi, during 2007 (2022)
Journal Article
Orr, T. R., Llewellin, E. W., & Patrick, M. R. (2022). Development, structure, and behavior of a perched lava channel at Kīlauea Volcano, Hawaiʻi, during 2007. Journal of Volcanology and Geothermal Research, 430, Article 107637. https://doi.org/10.1016/j.jvolgeores.2022.107637

Channelized lava flows are commonly produced during the early stages of basaltic eruptions. These channels usually maintain their morphology until the eruption ends or discharge is diverted. In some instances, narrower channels can roof over, develop... Read More about Development, structure, and behavior of a perched lava channel at Kīlauea Volcano, Hawaiʻi, during 2007.

An advanced, comprehensive thermochemical equilibrium model of a downdraft biomass gasifier (2022)
Journal Article
Ibrahim, A., Veremieiev, S., & Gaskell, P. (2022). An advanced, comprehensive thermochemical equilibrium model of a downdraft biomass gasifier. Renewable Energy, 194, https://doi.org/10.1016/j.renene.2022.05.069

A stoichiometric model is formulated for predicting the syngas yield from the reduction zone of a downdraft biomass gasifier. It incorporates the thermodynamic equilibrium of the global gasification reaction, predicts the concentration of the minor g... Read More about An advanced, comprehensive thermochemical equilibrium model of a downdraft biomass gasifier.

Power fluctuations in sheared amorphous materials: A minimal model (2022)
Journal Article
Ekeh, T., Fodor, É., Fielding, S. M., & Cates, M. E. (2022). Power fluctuations in sheared amorphous materials: A minimal model. Physical Review E, 105(5), Article L052601. https://doi.org/10.1103/physreve.105.l052601

The importance of mesoscale fluctuations in flowing amorphous materials is widely accepted, without a clear understanding of their role. We propose a mean-field elastoplastic model that admits both stress and strain-rate fluctuations, and investigate... Read More about Power fluctuations in sheared amorphous materials: A minimal model.

A recurrent variant in LIM2 causes an isolated congenital sutural/lamellar cataract in a Japanese family (2022)
Journal Article
Berry, V., Fujinami, K., Mochizuki, K., Iwata, T., Pontikos, N., Quinlan, R. A., & Michaelides, M. (2022). A recurrent variant in LIM2 causes an isolated congenital sutural/lamellar cataract in a Japanese family. Ophthalmic Genetics, 43(5), 622-626. https://doi.org/10.1080/13816810.2022.2090010

Background Genetically determined cataract is both clinically and molecularly highly heterogeneous. Here, we have identified a heterozygous variant in the lens integral membrane protein LIM2, the second most abundant protein in the lens, responsible... Read More about A recurrent variant in LIM2 causes an isolated congenital sutural/lamellar cataract in a Japanese family.

Dendritic crystallization in hydrous basaltic magmas controls magma mobility within the Earth’s crust (2022)
Journal Article
Arzilli, F., Polacci, M., La Spina, G., Le Gall, N., Llewellin, E. W., Brooker, R. A., …Burton, M. R. (2022). Dendritic crystallization in hydrous basaltic magmas controls magma mobility within the Earth’s crust. Nature Communications, 13(1), https://doi.org/10.1038/s41467-022-30890-8

The majority of basaltic magmas stall in the Earth’s crust as a result of the rheological evolution caused by crystallization during transport. However, the relationships between crystallinity, rheology and eruptibility remain uncertain because it is... Read More about Dendritic crystallization in hydrous basaltic magmas controls magma mobility within the Earth’s crust.

Interparticle and Brownian forces controlling particle aggregation and rheology of silicate melts containing platinum-group element particles (2022)
Journal Article
Pereira, L., Vasseur, J., Wadsworth, F. B., Trixler, F., & Dingwell, D. B. (2022). Interparticle and Brownian forces controlling particle aggregation and rheology of silicate melts containing platinum-group element particles. Scientific Reports, 12(1), Article 9226. https://doi.org/10.1038/s41598-022-12948-1

We study the rheology of silicate melts containing platinum-group element (PGE) particles. They exhibit a shear-thinning behaviour, an intense aggregation tendency, and an anomalously high apparent viscosity in the low shear rate limit, even at very... Read More about Interparticle and Brownian forces controlling particle aggregation and rheology of silicate melts containing platinum-group element particles.

Modulated Fluorescence in LB Films Based on DADQs—A Potential Sensing Surface? (2022)
Journal Article
Szablewski, M., Thompson, R. L., & Pålsson, L. (2022). Modulated Fluorescence in LB Films Based on DADQs—A Potential Sensing Surface?. Molecules, 27(12), Article 3893. https://doi.org/10.3390/molecules27123893

Novel fluorescent Langmuir-Blodgett (LB) films have been constructed from three different amphiphilic dicynaoquinodimethanes (DADQs). The DADQs varied in functional group structure, which had an impact on the LB film structure and the fluorescence pr... Read More about Modulated Fluorescence in LB Films Based on DADQs—A Potential Sensing Surface?.

Crowd-sourcing observations of volcanic eruptions during the 2021 Fagradalsfjall and Cumbre Vieja events (2022)
Journal Article
Wadsworth, F. B., Llewellin, E. W., Farquharson, J. I., Gillies, J. K., Loisel, A., Frey, L., …Santabárbara, A. P. (2022). Crowd-sourcing observations of volcanic eruptions during the 2021 Fagradalsfjall and Cumbre Vieja events. Nature Communications, 13(1), https://doi.org/10.1038/s41467-022-30333-4

The Fagradalsfjall1 and Cumbre Vieja eruptions were spectacular and, in the case of Cumbre Vieja, highly destructive. Over their course, the eruptions waxed and waned, fed lava flows, caused numerous felt earthquakes and explosions, localized from cr... Read More about Crowd-sourcing observations of volcanic eruptions during the 2021 Fagradalsfjall and Cumbre Vieja events.