10,062 Works

Electrostatic Control of Protein Adsorption under Re-entrant Conditions

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Protein adsorption is a process relevant in many research fields such as biology, medicine and food processing. Its mechanism is influenced by many parameters. Our group has demonstrated that strongly directional interactions induced by ion-bridges connecting individual proteins give rise to a rich phase behaviour including re-entrant condensation and liquid-liquid phase separation (LLPS). Other findings suggest that potential applied to a substrate is able to polarise the adsorbed layer and induce dipoledipole interactions between the...

Bio-inspired Crystallisation Pathways in Calcium Carbonate

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Crystallisation of amorphous calcium carbonate has been reported in the literature with various characterisation methods, and is thought to generally proceed via the following route: Hydrated ACC>Dehydrated ACC>Vaterite>Calcite. We are interested in how the addition of varying concentrations of amino acids can direct this crystallisation pathway, as our experimental data indicate that there is a complex relationship between the amino acids used in synthesis and the hydration of a sample of calcium carbonate. Inelastic neutron...

An attempt to measure sorption through strain induced deformation

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Zeolite catalysts are highly porous materials that take up gases and vapours into their pores. Accommodating the guest molecule inside the host framework leads to distortion within the crystal structure. We wish to see if it is possible to image the uptake of gas inside a realistic catalyst bed as a function of time and location under flow conditions.

Amorphous Micrometre-Sized Water Ice Particles for Planetary Science Experiments: Characterising the Ice Phase

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We request 2 days on SANDALS to characterise the temperature dependent properties of amorphous icy particles as they will be used in a more detailed study on NIMROD in Feburary 2020, aiming to determine the pressure-temperature ranges at which collisional studies will be most relevant to planetary science. Such a characterisation would help to narrow down the parameter space, allowing us to use the most promising conditions for the production of amorphous ice particles for...

The magnetic structure of perovskite like coordination polymers: {[Cu(HCOO)2(µ-pyrimidine)]}n and {[Cu(HCOO)2NO3]H2N(CH3)2}n

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This study is designed to identify relationships between structure and magnetic properties characteristic of coordination polymers (CPs), specifically in the model system {[Cu(HCOO)3]H2N(CH3)2}n. By determining the magnetic structure of two related CPs, in which a single magnetic pathway was systematically modified by substituting an HCOO- linker with topologically equivalent pyrimidine and NO3- ligands, respectively, we aim to address factors that tune the strength and nature of magnetic super-exchange. Moreover, the orientation of the magnetic moments...

Low-temperature magnetic correlations in SrTb2O4

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We propose to probe the development of the magnetic correlations in SrTb2O4 using WISH neutron diffractometer. In a magnetic sense, SrTb2O4 consists of triangular zig-zag ladders and is therefore affected by geometrical frustration. Our initial measurements for T>1.5 K (using CYCLOPS and D7 instruments at the ILL) revealed a disordered magnetic ground state, which we now want to examine at sub 1 K temperatures. We are particularly interested in the details of the low-temperature diffuse...

Influence of deposition strategy on microstructure heterogeneity and twinning in Wire + Arc Additive Manufactured Ti6Al4V

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Wire and Arc Additive Manufacturing (WAAM) process is rapidly moving towards the production and qualification of large structural parts. Parts built by WAAM for structural applications require to perform under cyclic loading condition without compromising the safety. The presence of heterogeneous microstructure and considerable texture leads to anisotropic mechanical properties. More importantly, the microstructure heterogeneity leads to direction dependent deformation and damage under cyclic loading. Therefore, the proposed study aims to understand the influence of...

Understanding the damage tolerance of fibre-reinforced ceramic matrix composites (FRCMCs) at ambient and elevated temperatures

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Fiber reinforced ceramic matrix composites (FRCMCs) have numerous applications, such as engine components, rocket re-entry nozzles and military vehicles due to their light weight, combined strength and toughness at high temperature. With the commercialization of GE LEAP engine using a ceramic shrouds, FRCMC is regarded as a game changer in key engineering areas for high energy efficiency and safety. FRCMCs have a complex microstructure and as damage accumulates it shows non-linear stress-strain behaviour. This is...

Structural chemistry and magnetic order of the Aurivillius material Bi2CoO2F4

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Materials with long range ferroelectric or magnetic order are important for applications including data storage, and a current key research area in functional materials is the design and preparation of materials that combine both these properties. A family of ceramic oxides, the Aurivillius family, are well known for their ferroelectric properties and until now, attempts to introduce magnetic ions into these materials have been limited. In 2018, a new Auriivillius oxide-fluoride, Bi2CoO2F4, was reported. This...

Investigating the superconducting and magnetic properties of a novel quasi-one-dimensional ternary molybdenum pnictide K2Mo3As3

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A2Mo3As3 (A = alkali metal) is a brand-new novel family of molybdenum arsenide based quasi-one-dimensional (Q1D) superconductors with a transition temperature between 10.4 to 11.5 K, discovered just a couple of months ago. The crystal structure of these materials contains special Q1D (Mo3As3)2 linear chains separated by columns of alkali metal cations. Since Mo and Cr belong to the same group of transition metals with similar electronic configuration, A2Mo3As3 superconductors, like their sister families A2Cr3As3...

Investigating the superconducting and magnetic properties of a novel quasi-one-dimensional ternary molybdenum pnictide K2Mo3As3

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A2Mo3As3 (A = alkali metal) is a brand-new novel family of molybdenum arsenide based quasi-one-dimensional (Q1D) superconductors with a transition temperature between 10.4 to 11.5 K, discovered just a couple of months ago. The crystal structure of these materials contains special Q1D (Mo3As3)2 linear chains separated by columns of alkali metal cations. Since Mo and Cr belong to the same group of transition metals with similar electronic configuration, A2Mo3As3 superconductors, like their sister families A2Cr3As3...

Hydrogen impurity in solar cell materials CIGS and CZTS

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In this proposal we intend to complete the characterization of the hydrogen impurity in solar cell materials Cu2ZnSnS4 (CZTS) and Cu(In,Ga)Se2 (CIGS), by using the positive muons as an analogue. In particular, we intend to characterize the diffusion behaviour above room temperature and look for possible trapping of muons in native defects (likely the acceptor copper vacancies, leading to its passivation). We also intend to characterize the acceptor configuration of the isolated hydrogen impurity by...

The structure of methanol in halloysite nanotubes

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Understanding the structure of liquids in nanopores and at interfaces is extremely important in many natural and industrial processes. In this experiment, we will use the unique powers of neutron scattering to measure the structure of liquid methanol in a particular type of clay mineral, known as halloysite. Halloysite is remarkable in this context, because it occurs as nano-scale tubes, which are formed from rolled-up scrolls of the clay sheets (like a swiss-roll, where a...

Oxygen Dynamics in Y2O3 doped Bi2O3: (Bi0.8Y0.2)2O3 and (Bi0.6Y0.4)2O3

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The high ionic conducting delta-phase of Bi2O3 can be stabilized at ambient temperature in a range of compositions, viz., (Bi1-xYx)2O3 (x=0.1 -0.5). We would measure inelastic (vibrational) as well as quasielastic neutron scattering (QENS) spectra for (Bi0.8Y0.2)2O3 and (Bi0.6Y0.4)2O3 from 300 K to 1100 K. The diffusion in (Bi1-xYx)2O3 starts at a low temperature of around 500 K. Our ab-inito molecular dynamics simulations show that diffusion of oxygen (at 1000 K) in (Bi0.7Y0.3)2O3 is much...

Topological superconductivity in quasi-one-dimensional superconductor Tl2Mo6Se6

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Tl2Mo6Se6 composed of quasi-one-dimensional (quasi-1D) (Mo6Se6) chains oriented along the z-axis, weakly coupled by Tl ions, giving them pseudo-one-dimensional character. Tl2Mo6Se6 is superconducting with a Tc o 3 K- 6.5 K (varies between samples) and has the greatest uniaxial anisotropy, comparable to the most anisotropic organic superconductors, albeit very simple band structures on the Fermi surface. Moreover, quasi-one-dimensional Tl2Mo6Se6 compound has also been identified as the possible candidate that can support the rare cubically dispersed...

Local structure in PMN-PT relaxor ferroelectrics

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The proposed experiments will provide neutron total-scattering data for elucidating the nanoscale ordering of polar atomic displacements that underlie the commercially viable piezoelectric properties in a classical oxide ferroelectric system. These materials find use in applications ranging from sonar transducers in naval radar systems to fuel injectors in diesel automobile engines. The currently missing detailed knowledge of atomic arrangements is required to facilitate the design of new formulations with the improved piezoelectric performance.

A depth-resolved study of magnetoelectric coupling in multiferroic PMN-PT/FeRh using PNR

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Multiferroic systems allow the modulation of magnetic properties through electric potentials. Advances in engineering atomic interfaces of heterogeneous thin-films have enabled a significant increase in magnetoelectric coupling compared with conventional single phase materials. This opens a range of interesting and exciting possibilities for new spintronic devices with applications in next-generation data storage technologies, such as antiferromagnetic memory resistors. One system with real potential is FeRh where a change in lattice parameter accompanies a change from...

Kitaev spin liquid in the Co-based honeycomb system BaCo2(P0.85V0.15)2O8

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The newly reported compound BaCo2(P1-xVx)2O8 fulfills the necessary condition for hosting the Kitaev-type interactions. In particular, for the x=0.15 composition, the dc and ac magnetic susceptibility results show a substantial enhancement below 100 K and a spin-glass ground state through Tg ~ 5 K. Given the small Curie-Weiss temperature (-3.2 K) relative to an energy scale of Tg, the antiferromagnetic Heisenberg and ferromagnetic Kitaev interactions are present. Thermodynamic measurements show that the application of an...

Quantum spin liquid ground state in the Co-based triangular antiferromagnet Na2BaCo(PO4)2

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A triangular lattice occupies a special position in the quantum spin-liquid (QSL) physics. Although the triangular-lattice Heisenberg antiferromagnet is known to evade a QSL, several ingredients including exchange randomness, spin-orbit coupling, anisotropic and biquadratic exchange interactions have been controversially discussed as a route to stabilize QSLs. Recently, the Co-based triangular antiferromagnet Na2BaCo(PO4)2 has emerged as a new candidate for QSL, The triangular layers of Co2+ (jeff = 1/2) ions are separated by a single layer...

Investigating the production of Roman gold coins in the ‘Year of the Four Emperors’

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For some 200 years, Roman gold coins anchored the Roman monetary system. Bronze and silver coins had a fixed relationship to the gold ones. When both the fineness and the weight standard of the gold coinage were radically reduced in the mid-third century AD, it appears this fixed relationship finally collapsed and a fundamental shift in Roman economy was caused. The fabric of Roman gold coins is, then, a highly important part of Roman economic...

Uranium minerals related to geochemical storage of spent nuclear fuels: a powder neutron diffraction study

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The safe storage of spent nuclear fuels is a complex challenge that belies a simple solution. The biggest scientific challenge is that storage must be over long periods of time, and knowledge of how the complex and interlinked chemistry changes is important to build robust safety cases for underground storage. One important uranium compound is studtite, [UO2(O2)(H2O)2].2H2O which dehydrates to metastudtite [UO2(O2)(H2O)2]. There are subtle structural changes that may impact on the chemical behaviour. In...

Understand alcohol diffusivity and the influence of framework topology of some selected zeolites on methanol to hydrocarbons reaction.

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Short-chain alcohols (methanol and ethanol) have been explored as part of renewable energy sources to satisfy the ever-growing energy demands of the world. Zeolites have been one of the most reliable catalysts in the conversion of short-chain alcohols to very useful products with vast applications in the chemical industry. We could mention BEA, FER, ZSM-5 as some of the most common zeolites that have been applied in catalysis, etc. However, the reason for the superior...

Quasi-elastic Neutron Scattering Studies of Diffusion in Mordenite Catalysts for the Carbonylation of Dimethylether

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This proposal follows recent QENS measurements on mordenite zeolite catalysts used to convert dimethylether to methylacetate. The initial measurements have shown that propane as a simulant of both reactant and product undergoes motion in the zeolite on the QENS time scale, and that pyridine pretreatment of the catalyst modifies the propane motion. Our objectives now are to examine further the motion of the adsorbed pyridine, and to look at the effects of coke formation in...

Spin dynamics in the new spin ice candidate Nd2Pt2O7

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Most of Nd-pyrochlores show all-in-all-out long-ranged order ground state at low temperatures. Nd2Zr2O7 reveals magnetic fragmentation in the spin ice state, and its antiferromagnetic order is proposed to be induced by the monopole crystallization [1]. Recently unconventional slow spin dynamics are reported in the paramagnetic state of pyrochlore insulators Nd2Sn2O7 [2] and Nd2Zr2O7 [3], which is suspected coming from the spin ice state in the compounds. We have successfully synthesized Nd2Pt2O7 polycrystalline sample which exhibits...

Investigating the interplay of spin orbit coupling and electron correlation in new family of noncentrosymmetric superconductors

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The possibility of singlet-triplet pairing in noncentrosymmetric (NCS) superconductors makes them prime candidates to exhibit time-reversal symmetry breaking (TRSB). However, there are only a handful of superconductors that exhibit TRSB. More importantly, the role played by the relative strength of spin-orbit coupling and electron correlation in parity mixing and TRSB is still unresolved. To this end, we propose to measure a new family of NCS superconductors ZrMo2Ru3 and HfW2Os3. Interestingly, ZrMo2Ru3 contain only 4d elements...

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