Outputs (2557)

From first- to second-order phase transitions in hybrid improper ferroelectrics through entropy stabilization (2020)
Journal Article
Pomiro, F., Ablitt, C., Bristowe, N. C., Mostofi, A. A., Won, C., Cheong, S.-W., & Senn, M. S. (2020). From first- to second-order phase transitions in hybrid improper ferroelectrics through entropy stabilization. Physical Review B, 102(1), Article 014101. https://doi.org/10.1103/physrevb.102.014101

Hybrid improper ferroelectrics (HIFs) have been studied intensively over the past few years to gain an understanding of their temperature-induced phase transitions and ferroelectric switching pathways. Here we report a switching from a first- to a se... Read More about From first- to second-order phase transitions in hybrid improper ferroelectrics through entropy stabilization.

Improving the exchange and correlation potential in density-functional approximations through constraints (2020)
Journal Article
Callow, T. J., Pearce, B. J., Pitts, T., Lathiotakis, N., Hodgson, M. J., & Gidopoulos, N. I. (2020). Improving the exchange and correlation potential in density-functional approximations through constraints. Faraday Discussions, 224, 126-144. https://doi.org/10.1039/d0fd00069h

We review and expand on our work to impose constraints on the effective Kohn–Sham (KS) potential of local and semi-local density-functional approximations. Constraining the minimisation of the approximate total energy density-functional invariably le... Read More about Improving the exchange and correlation potential in density-functional approximations through constraints.

Magnetism and Néel skyrmion dynamics in GaV4S8−ySey (2020)
Journal Article
Hicken, T., Holt, S., Franke, K., Hawkhead, Z., Štefančič, A., Wilson, M., Gomilšek, M., Huddart, B., Clark, S., Lees, M., Pratt, F., Blundell, S., Balakrishnan, G., & Lancaster, T. (2020). Magnetism and Néel skyrmion dynamics in GaV4S8−ySey. Physical Review Research, 2(3), Article 032001. https://doi.org/10.1103/physrevresearch.2.032001

We present an investigation of the influence of low levels of chemical substitution on the magnetic ground state and Néel skyrmion lattice (SkL) state in GaV4S8−ySey, where y=0,0.1,7.9, and 8. Muon-spin spectroscopy (μSR) measurements on y=0 and 0.1... Read More about Magnetism and Néel skyrmion dynamics in GaV4S8−ySey.

Theory underpinning multislice simulations with plasmon energy losses (2020)
Journal Article
Mendis, B. (2020). Theory underpinning multislice simulations with plasmon energy losses. Microscopy, 69(3), 173-175. https://doi.org/10.1093/jmicro/dfaa003

The theoretical conditions for small-angle inelastic scattering where the incident electron can effectively be treated as a particle moving in a uniform potential is examined. The motivation for this work is the recent development of a multislice met... Read More about Theory underpinning multislice simulations with plasmon energy losses.

Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect (2020)
Journal Article
Rodrigues, A. I., Krishnamoorthy, P., Gomes, C. S., Carmona, N., Di Paolo, R. E., Pander, P., Pina, J., Sérgio Seixas de Melo, J., Dias, F. B., Calhorda, M. J., Maçanita, A. L., Morgado, J., & Gomes, P. T. (2020). Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect. Dalton Transactions, 49(29), 10185-10202. https://doi.org/10.1039/d0dt01845g

A group of new boron complexes [BPh2{2N,N’-NC4H3-2-C(H)=N-C6H4X}] (X= 4-Cl 4c, 4-Br 4d, 4-I 4e, 3-Br 4f, 2-Br 4g, 2-I 4h) containing different halogens as substituents in the N-aryl ring have been synthesized and characterized in terms of their mole... Read More about Luminescent halogen-substituted 2-(N-arylimino)pyrrolyl boron complexes: the internal heavy-atom effect.

Unrestrained ESCRT-III drives micronuclear catastrophe and chromosome fragmentation (2020)
Journal Article
Vietri, M., Schultz, S. W., Bellanger, A., Jones, C. M., Petersen, L. I., Raiborg, C., Skarpen, E., Pedurupillay, C. R. J., Kjos, I., Kip, E., Timmer, R., Jain, A., Collas, P., Knorr, R. L., Grellscheid, S. N., Kusumaatmaja, H., Brech, A., Micci, F., Stenmark, H., & Campsteijn, C. (2020). Unrestrained ESCRT-III drives micronuclear catastrophe and chromosome fragmentation. Nature Cell Biology, 22(7), 856-867. https://doi.org/10.1038/s41556-020-0537-5

The ESCRT-III membrane fission machinery maintains the integrity of the nuclear envelope. Although primary nuclei resealing takes minutes, micronuclear envelope ruptures seem to be irreversible. Instead, micronuclear ruptures result in catastrophic m... Read More about Unrestrained ESCRT-III drives micronuclear catastrophe and chromosome fragmentation.

Effect of exchange and dipolar interlayer interactions on the magnonic band structure of dense Fe/Cu/Py nanowires with symmetric and asymmetric layer widths (2020)
Journal Article
Gubbiotti, G., Zhou, X., Adeyeye, A., Varvaro, G., & Kostylev, M. (2020). Effect of exchange and dipolar interlayer interactions on the magnonic band structure of dense Fe/Cu/Py nanowires with symmetric and asymmetric layer widths. Physical Review B, 101(22), Article 224431. https://doi.org/10.1103/physrevb.101.224431

We present a systematic experimental and theoretical investigation of the magnonic band structure in dense arrays of both asymmetric and symmetric cross-section trilayered Fe(10 nm)/Cu( t )/Py(10 nm) nanowires (NWs). The Cu spacer thickness ( t ) is... Read More about Effect of exchange and dipolar interlayer interactions on the magnonic band structure of dense Fe/Cu/Py nanowires with symmetric and asymmetric layer widths.

Impact of water on the lubricating properties of hexadecane at the nanoscale (2020)
Journal Article
Cafolla, C., & Voïtchovsky, K. (2020). Impact of water on the lubricating properties of hexadecane at the nanoscale. Nanoscale, 12(27), 14504-14513. https://doi.org/10.1039/d0nr03642k

Fluid lubricants are routinely used to reduce friction in a wide range of applications, from car engines to machinery and hard-disk drives. However, their efficiency can be significantly influenced by the ambient conditions they are exposed to, in pa... Read More about Impact of water on the lubricating properties of hexadecane at the nanoscale.

Angular Jc measurements at 77 K in-field, on an ISD REBCO coated conductor using a straightforward mechanical scribing technique to reduce tape width (2020)
Journal Article
Gurnham, C., Große, V., & Hampshire, D. (2020). Angular Jc measurements at 77 K in-field, on an ISD REBCO coated conductor using a straightforward mechanical scribing technique to reduce tape width. Journal of Physics: Conference Series, 1559, Article 012036. https://doi.org/10.1088/1742-6596/1559/1/012036

E-J traces have been measured on an inclined substrate deposition coated conductor up to 0.7 T as a function of angle at 77K. A large change in Jc is seen on reversal of the direction of the magnetic field, associated with different surface barriers... Read More about Angular Jc measurements at 77 K in-field, on an ISD REBCO coated conductor using a straightforward mechanical scribing technique to reduce tape width.

Establishing magneto-structural relationships in the solid solutions of the skyrmion hosting family of materials: GaV4S8−ySey (2020)
Journal Article
Štefančič, A., Holt, S. J., Lees, M. R., Ritter, C., Gutmann, M. J., Lancaster, T., & Balakrishnan, G. (2020). Establishing magneto-structural relationships in the solid solutions of the skyrmion hosting family of materials: GaV4S8−ySey. Scientific Reports, 10(1), Article 9813. https://doi.org/10.1038/s41598-020-65676-9

The GaV4S8−ySey (y = 0 to 8) family of materials have been synthesized in both polycrystalline and single crystal form, and their structural and magnetic properties thoroughly investigated. Each of these materials crystallizes in the Fˉ 43m space gro... Read More about Establishing magneto-structural relationships in the solid solutions of the skyrmion hosting family of materials: GaV4S8−ySey.

The role of low Gd concentrations on magnetisation behaviour in rare earth:transition metal alloy films (2020)
Journal Article
Inyang, O., Rafiq, A., Swindells, C., Ali, S., & Atkinson, D. (2020). The role of low Gd concentrations on magnetisation behaviour in rare earth:transition metal alloy films. Scientific Reports, 10(1), Article 9767. https://doi.org/10.1038/s41598-020-66595-5

The magnetisation reversal behaviour as a function of composition was studied in low rare earth concentration alloys. 30 nm thick rare earth:transition-metal films of composition GdxCo100−x, GdxFe100−x and Gdx(Co50Fe50)100−x were prepared by magnetro... Read More about The role of low Gd concentrations on magnetisation behaviour in rare earth:transition metal alloy films.

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.

Modelling the enthalpy change and transition temperature dependence of the metal–insulator transition in pure and doped vanadium dioxide (2020)
Journal Article
Lu, H., Clark, S., Guo, Y., & Robertson, J. (2020). Modelling the enthalpy change and transition temperature dependence of the metal–insulator transition in pure and doped vanadium dioxide. Physical Chemistry Chemical Physics, 22(24), 13474-13478. https://doi.org/10.1039/d0cp01929a

We compare various calculation methods to determine the electronic structures and energy differences of the phases of VO2. We show that density functional methods in the form of GGA+U are able to describe the enthalpy difference (latent heat) between... Read More about Modelling the enthalpy change and transition temperature dependence of the metal–insulator transition in pure and doped vanadium dioxide.

The magnetic field, temperature, strain and angular dependence of the critical current density for Nb-Ti (2020)
Journal Article
Chislett-Mcdonald, S., Tsui, Y., Surrey, E., Kovari, M., & Hampshire, D. (2020). The magnetic field, temperature, strain and angular dependence of the critical current density for Nb-Ti. Journal of Physics: Conference Series, 1559, Article 012063. https://doi.org/10.1088/1742-6596/1559/1/012063

A scaling law for Jc in commercial Nb-Ti wire is proposed that describes its magnetic field, temperature and strain dependence. The scaling law is used to fit extensive measurements of the total strand critical current density, Jc,TS(B, T, ε), with t... Read More about The magnetic field, temperature, strain and angular dependence of the critical current density for Nb-Ti.

Nanoscale mapping of the directional flow patterns at liquid-solid interfaces (2020)
Journal Article
Piantanida, L., Payam, A., Zhong, J., & Voïtchovsky, K. (2020). Nanoscale mapping of the directional flow patterns at liquid-solid interfaces. Physical Review Applied, 13(6), Article 064003. https://doi.org/10.1103/physrevapplied.13.064003

The nanoscale behavior of liquid molecules and solutes along the interface with solids controls many processes such as molecular exchanges, wetting, electrochemistry, nanofluidics, biomolecular function, and lubrication. Experimentally, several techn... Read More about Nanoscale mapping of the directional flow patterns at liquid-solid interfaces.

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., Gaedtke, M., Hafen, N., Mink, A., Trunk, R., Marquardt, J. E., Maier, M.-L., Haussmann, M., & 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.

Ferromagnetic Resonance of FeNi/Cu/FeNi Thin Film on Coplanar Waveguide with Operating Frequency of 1 to 20 GHz (2020)
Journal Article
Shcherbinin, S., Volchkov, S., Swindells, C., Nicholson, B., Atkinson, D., & Kurlyandskaya, G. (2020). Ferromagnetic Resonance of FeNi/Cu/FeNi Thin Film on Coplanar Waveguide with Operating Frequency of 1 to 20 GHz. Russian Physics Journal, 63(1), 1-8. https://doi.org/10.1007/s11182-020-01995-8

The paper presents the calculation results of the coplanar waveguide geometry using the method of conformal mapping and computerized simulation with COMSOL Multiphysics software. Ferromagnetic FeNi/Cu/FeNi magneto-sensitive elements are fabricated in... Read More about Ferromagnetic Resonance of FeNi/Cu/FeNi Thin Film on Coplanar Waveguide with Operating Frequency of 1 to 20 GHz.

Herwig 7.2 release note (2020)
Journal Article
Bellm, J., Bewick, G., Ferrario Ravasio, S., Gieseke, S., Grellscheid, D., Kirchgaeßer, P., Loshaj, F., Masouminia, M. R., Nail, G., Papaefstathiou, A., Plätzer, S., Podskubka, R., Rauch, M., Reuschle, C., Richardson, P., Schichtel, P., Seymour, M. H., Siódmok, A., & Webster, S. (2020). Herwig 7.2 release note. The European Physical Journal C, 80(5), Article 452. https://doi.org/10.1140/epjc/s10052-020-8011-x

A new release of the Monte Carlo event generator Herwig (version 7.2) is now available. This version introduces a number of improvements over the major version 7.0, notably: multi-jet merging with the dipole shower at LO and NLO QCD; spin correlation... Read More about Herwig 7.2 release note.

Modelling double emulsion formation in planar flow-focusing microchannels (2020)
Journal Article
Wang, N., Semprebon, C., Liu, H., Zhang, C., & Kusumaatmaja, H. (2020). Modelling double emulsion formation in planar flow-focusing microchannels. Journal of Fluid Mechanics, 895, Article A22. https://doi.org/10.1017/jfm.2020.299

Double emulsion formation in a hierarchical flow-focusing channel is systematically investigated using a free-energy ternary lattice Boltzmann model. A three-dimensional formation regime diagram is constructed based on the capillary numbers of the in... Read More about Modelling double emulsion formation in planar flow-focusing microchannels.