NONE-No attached Diamond beamline
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Abstract: The CCP4 software suite [1] provides a comprehensive set of tools for use in the macromolecule structure solution process by X-ray
crystallography. Traditionally, these tools have been run through the graphical interface or the command line on each user's personal workstation. Recently, some of the tools, including the molecular replacement pipelines Balbes [2] and MrBUMP [3] have been provided as web services in the Research Complex at Harwell. These pipelines can be especially useful in cases where there is low
sequence identity between the target-structure sequence and that of its set of possible homologues. These services can be accessed
through a web client, allowing one to submit molecular replacement jobs to our Linux cluster and view the results from these jobs. The molecular replacement pipelines are ideal candidates for web services, as they require installation and maintenance of large databases and benefit from parallel computing resources, provided by the cluster. Further plans for web services will be discussed. With ever-increasing mobility of scientific setups and the ubiquity of ultra-portable devices, there is a demand for a consistent
framework of remote crystallographic computations and data maintenance. This framework is planned to include an interface for synchronising data with the facilities of Diamond Light Source, as well as with local CCP4 GUI-2 setups.
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Aug 2014
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NONE-No attached Diamond beamline
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Abstract: We present a comparative study of TiO2-based and Au catalysts for the physical vapor deposition of (Bi1− x Sb x )2Se3 topological insulator nanowires. The standard Au nanoparticle catalyst was compared to five TiO2 nanoparticle based catalysts (anatase, rutile, P-25, high surface area anatase, and TiO2 supported Au particles). The use of Au nanoparticles seriously harms the properties of nanowires, thereby limiting their application. In contrast, TiO2 based catalysts lead to the residue-free growth of nanowires with a higher degree of crystallinity. Homogeneous nanowire ensembles are achieved with the mixed phase P-25 catalyst, and a possible growth mechanism is proposed.
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Jun 2014
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NONE-No attached Diamond beamline
Accelerator Physics
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S.
Spampinati
,
D.
Angal-Kalinin
,
A. D.
Brynes
,
D
Dunning
,
J. K.
Jones
,
K.
Marinov
,
J. W.
Mckenzie
,
B. L.
Militsyn
,
N. R.
Thompson
,
P. H.
Williams
,
I. P.
Martin
Abstract: We present recent developments in the accelerator design of CLARA (Compact Linear Accelerator for Research and Applications), the proposed UK FEL test facility at Daresbury Laboratory. The layout changes include a dedicated collimator in CLARA front end to provide some control over the dark current, changes to low energy diagnostics section and modifications to FEL modules. The progress in the design simulations mainly focus on injector simulations incorporating wake fields in ASTRA, comparison of using ELEGANT and CSRTRACK for the Variable Bunch Compressor and first considerations of requirement of laser heater for CLARA.
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May 2014
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NONE-No attached Diamond beamline
Optics
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Open Access
Abstract: Since March 2013, the Diamond storage ring has been operated with a target vertical emittance of 8 pm.rad. This condition is achieved by first applying a LOCO* optics correction with IDs set to their typical gaps, then offsetting the skew quadrupole magnets in order to increase the vertical emittance again to the desired value. Whilst a feedback application** is able to stabilise the vertical emittance during ID gap and phase changes in the short to medium term, regular applications of LOCO are still required to maintain good coupling control in the longer term. In this paper we describe measures taken to speed up the optics correction procedure, including a fast orbit response matrix measurement, a reduction of the number of magnets used to measure the data, and a distribution of the LOCO calculations to run in parallel.
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May 2014
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NONE-No attached Diamond beamline
Insertion Devices
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R. P.
Walker
,
M.
Apollonio
,
C. P.
Bailey
,
M. P.
Cox
,
R. T.
Fielder
,
N. P.
Hammond
,
M. T.
Heron
,
J.
Kay
,
I. P. S.
Martin
,
S. P.
Mhaskar
,
G.
Rehm
,
E. C. M.
Rial
,
V
Smaluk
,
A.
Thomson
,
R.
Bartolini
,
T
Pulampong
Open Access
Abstract: The concept of converting individual cells of the Diamond Double Bend Achromat (DBA) lattice into a modified 4-bend achromat with a new straight section for insertion devices (IDs) in the middle of the arc, grew out of earlier studies of low emittance MBA lattices*, and was motivated by the need for additional ID straight sections, since all of the 22 ID straight sections in the Diamond storage ring are either occupied or have been allocated to future beamlines. Such a modification effectively replaces each DBA cell with two new DBA cells, hence the term Double-DBA or DDBA has come to be used for the project. Since the tangent point for bending magnet beamlines lies close to the start of the second dipole in the original DBA, this allows unused exit ports and spaces on the experimental hall which are available for future bending magnet beamlines to be used for higher performance ID beamlines. In this report we present an overview of the status of the project, the various accelerator physics and engineering studies that have been carried out, and plans for the implementation of one or two DDBA cells in Diamond.
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May 2014
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NONE-No attached Diamond beamline
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Open Access
Abstract: The Accelerator Science Laboratory (ASL) is under development at the John Adams Institute in Oxford with the aim of fostering advanced accelerator concepts and applications. The option to install a short pulse THz FEL based on a conventional RF accelerator driven by a RF photocathode gun is being investigated. This report presents the concept of the facility, the accelerator physics and FEL studies and engineering integration in the University physics department.
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May 2014
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NONE-No attached Diamond beamline
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Open Access
Abstract: The Diamond storage ring uses CESR type superconducting cavities. These cavities have a fixed coupling resulting in fixed Qext which is considerably higher than the optimum. We use 3 stub tuners to match the cavities under these non-optimum conditions. Diamond Cavity-1 will soon be refurbished. This opportunity could be used to lower the Qext on the cavity. One of the options is to modify the coupling tongue geometry along with a matching section. This may require cutting off the beam tube with the coupler for rework or it may need to be newly fabricated. We investigated another option to lower the Qext of the cavity by optimising the location of the window with respect to the cavity, maintaining the same coupling tongue geometry. The height of the waveguide on the vacuum side of the window differs from that of the coupling waveguide on the cavity resulting in a step. The location of window with respect to the cavity makes a significant difference to the ultimate Qext obtained after putting the window in place. In this paper we present the results of our numerical simulations comparing the present and the proposed window position under different operating conditions.
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May 2014
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NONE-No attached Diamond beamline
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Open Access
Abstract: The field of Membrane Protein Structural Biology has grown significantly since its first landmark in 1985 with the first three-dimensional atomic resolution structure of a membrane protein. Nearly twenty-six years later, the crystal structure of the beta2 adrenergic receptor in complex with G protein has contributed to another landmark in the field leading to the 2012 Nobel Prize in Chemistry. At present, more than 350 unique membrane protein structures solved by X-ray crystallography (http://blanco.biomol.uci.edu/mpstruc/exp/list, Stephen White Lab at UC Irvine) are available in the Protein Data Bank. The advent of genomics and proteomics initiatives combined with high-throughput technologies, such as automation, miniaturization, integration and third-generation synchrotrons, has enhanced membrane protein structure determination rate. X-ray crystallography is still the only method capable of providing detailed information on how ligands, cofactors, and ions interact with proteins, and is therefore a powerful tool in biochemistry and drug discovery. Yet the growth of membrane protein crystals suitable for X-ray diffraction studies amazingly remains a fine art and a major bottleneck in the field. It is often necessary to apply as many innovative approaches as possible. In this review we draw attention to the latest methods and strategies for the production of suitable crystals for membrane protein structure determination. In addition we also highlight the impact that third-generation synchrotron radiation has made in the field, summarizing the latest strategies used at synchrotron beamlines for screening and data collection from such demanding crystals. This article is part of a Special Issue entitled: Structural and biophysical characterisation of membrane protein-ligand binding.
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Jul 2013
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NONE-No attached Diamond beamline
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D.
Parkes
,
L. R.
Shelford
,
P.
Wadley
,
V.
HolĂ˝
,
M.
Wang
,
A.
Hindmarch
,
G.
Van Der Laan
,
R. P.
Campion
,
K.
Edmonds
,
S. A.
Cavill
,
A.
Rushforth
Open Access
Abstract: Multiferroic composite materials, consisting of coupled ferromagnetic and piezoelectric phases, are of great importance in the drive towards creating faster, smaller and more energy efficient devices for information and communications technologies. Such devices require thin ferromagnetic films with large magnetostriction and narrow microwave resonance linewidths. Both properties are often degraded, compared to bulk materials, due to structural imperfections and interface effects in the thin films. We report the development of epitaxial thin films of Galfenol (Fe81Ga19) with magnetostriction as large as the best reported values for bulk material. This allows the magnetic anisotropy and microwave resonant frequency to be tuned by voltage-induced strain, with a larger magnetoelectric response and a narrower linewidth than any previously reported Galfenol thin films. The combination of these properties make epitaxial thin films excellent candidates for developing tunable devices for magnetic information storage, processing and microwave communications.
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Jul 2013
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NONE-No attached Diamond beamline
Optics
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Abstract: Theoretical and experimental studies have been carried out at the Diamond Light Source to assess the possibility of reducing the emittance of the existing storage ring by means of a change to the optics. The optics solutions obtained so far using a Multi Objective Genetic Algorithm (MOGA) increase the dispersion and the horizontal beta function in the straight section. While the emittance can be reduced to 2.1 nm this optics is limited by the operation of high field superconducting wiggler devices. In this report we present details of the new optics and present results of practical tests. We also compare the theoretical emittance growth due to a wiggler in a dispersive region with test results.
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May 2013
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