39 Works

Data and Software for Degiacomi et al, Structure, 2017

Matteo T. Degiacomi, Justin L. P. Benesch, Carla Schmidt & Andrew J. Baldwin
Data and Software supporting Degiacomi et al study about a new method and associated software, DynamXL, that accommodates intrinsic protein dynamics in the modelling of cross-linking data. This approach substantially reduces error rates, leading to higher confidence in structure assessment and improved protein-protein docking.

iGIMP: An implicit generalised interpolation material point method for large deformations (figure data)

T.J. Charlton, W.M. Coombs & C.E. Augarde
The Material Point Method (MPM) uses a combined Eulerian-Lagrangian approach to solve problems involving large deformations. A problem domain is discretised as material points which are advected on a background grid. Problems are encountered with the original MPM when material points cross between grid cells, and this has been tackled by the development of the Generalised Interpolation MPM, where material points' domains of influence extend beyond the currently occupied grid cell. In this paper, the...

CPC code creation software as presented at Coherent Parity Check Construction for Quantum Error Correction [software]

Nicholas Chancellor
This folder contains code based on the methods of arXiv:1611.08012 by N. Chancellor, A. Kissenger, J. Roffe, S. Zohren, and D. Horsman feel free to reuse/modify but please attribute the source and cite our paper in any published work All code in this folder was written by Nicholas Chancellor We have created two versions of the code, one in GNU Octave, and one in Python 3, both sets of code provide the same functionality and...

Field imaging near to the surface of terahertz reflective optics using a vector network analyzer

Maryam Hajji
Dataset contains S-parameter measurements recorded with Vector Network Analyser Agilent N5224A. Data are stored as a Matlab v5 (*.mat) file. Complex values of the measured S-parameter are stored in a 101x101x11 (X*Y*Z) matrix.

Data for the paper: GMP polyamine hybrid hydrogels-enhanced gel strength probed by z-spectroscopy

Juan A. Aguilar Malavia, Raquel Belda Vidal, Jonathan W. Steed, Gareth A. Morris & Enrique Garcia-España
The self-assembling tendencies of guanosine-5’-monophosphate (GMP) can be drastically increased using polyamines, with potential applications in the production of biocompatible smart materials, as well as for the design of anti-tumoral drugs based on G-quadruplex tabilization. Results from scanning electron microscopy (SEM), wide angle X-ray scattering (WAXS), rheology and nuclear magnetic resonance (NMR) z-spectroscopy studies are presented.

Supporting information for "Optimising minimal building blocks for addressable assembly"

Jim Madge & Mark A. Miller

Imposition of essential boundary conditions in the material point method (figure data)

Michael Cortis, Charles Augarde, William Coombs, Scott Robinson, Andrews Brennan & Michael Brown
There is increasing interest in the Material Point Method (MPM) as a means of modelling solid mechanics problems in which very large deformations occur, e.g. in the study of landslides and metal forming, however some aspects vital to wider use of the method have to date been ignored, in particular methods for imposing essential boundary conditions in the case where the problem domain boundary does not coincide with the background grid element edges. In this...

Joshua P Rogers PhD Thesis - Photoelectron spectroscopy of (C6F6)n- and (C6F6)I- clusters in a novel instrument

Joshua P. Rogers
The digital appendix for this thesis can be found at http://etheses.dur.ac.uk/12364

Raw data for the paper: "Compressed NMR: Combining Compressive Sampling and Pure Shift NMR Techniques"

Juan A. Aguilar & Alan M. Kenwright
The spectra can be opened using VNMRJ, MestreNova and TopSpin.

The study of filled rubber composites with rheology and neutron scattering

James M. Hart
Numerical data for thesis, The study of filled rubber composites with rheology and neutron scattering contains rheological and neutron scattering data.

Velocity selection in a Doppler-broadened ensemble of atoms interacting with a monochromatic laser beam [software]

James Keaveney & Ifan G Hughes
Requires Python 2.7 or newer.

Supporting Data: Nanometre-scale optical property fluctuations in Cu2ZnSnS4 revealed by low temperature cathodoluminescence

Budhika Mendis
Band tailing is a major contributing factor to the large open circuit voltage (Voc) deficit that is currently limiting Cu2ZnSnS4 (CZTS) photovoltaic devices. It occurs in highly doped, highly compensated semiconductors and gives rise to a non-uniform electronic band structure. Here we report spatially resolved fluctuations in CZTS optical properties using low temperature cathodoluminescence (CL) in a scanning electron microscope (SEM). Principal component analysis reveals three CL peaks whose relative intensity vary across domains ~100...

SIPG fracture data supporting: A quasi-static discontinuous Galerkin configurational force fracture propagation method for brittle materials [IJNME (2017)]

R.E. Bird, W.M. Coombs & S. Giani
Abstract from paper: This paper presents a framework for r-adaptive quasi-static configurational force (CF) brittle crack propagation, cast within a discontinuous Galerkin (DG) symmetric interior penalty (SIPG) finite element scheme. Cracks are propagated in discrete steps, with a staggered algorithm, along element interfaces which align themselves with the predicted crack propagation direction. The key novelty of the work is the exploitation of the DG face stiffness terms existing along element interfaces to propagate a crack...

UKGN IPSA simulation - Location Awareness in Multi-Agent Control of Distributed Energy Resources - Hutchinson - 2017.zip

Harriet Hutchinson
This zip contains the set of steady-stage voltages for the UK Generic Network, extended for future growth and including embedded generation, simulated using IPSA+ and scripted using Python 2.

Data for Interspecies thermalization in an ultracold mixture of Cs and Yb in an optical trap

Alex Guttridge, Stephen Hopkins, Stefan Kemp, Matthew Frye, Jeremy Hutson & Simon Cornish
Data files used in "Interspecies thermalization in an ultracold mixture of Cs and Yb in an optical trap". For more information refer to the README.txt file included in data zip file.

Spin-orbit coupled interferometry with ring–trapped Bose–Einstein condensates: supporting data

John L. Helm, Thomas P. Billam, Ana Rakonjac, Simon L. Cornish & Simon A. Gardiner
We propose a method of atom-interferometry using a spinor Bose–Einstein (BEC) and the well-established experimental technique of time-varying magnetic fields as a coherent beam-splitter. Our protocol creates long-lived superpositional counterflow states, which are of fundamental interest and can be made sensitive to both the Sagnac effect and magnetic fields on the sub micro-Gauss scale. We split a ring-trapped condensate, initially in the m f = 0 hyperfine sub-level, into superpositions of both internal spin state...

Durham RCUK Open Access Data Year 4 (Apr2016-Mar2017)

James Bisset, Sarah Hyland & Frederick W. F. Foulds
NOTE: In early 2017, RCUK changed their 'compliance reporting' year to match their 'financial reporting' year, so that both reflected the period April 1st to March 31st each year. This means that part of this Year 4 data will overlap with the previous year 3 compliance data.

Supporting data: Four-wave mixing in the hyperfine Paschen-Back regime

Renju Mathew, Daniel J. Whiting, James Keaveney, Charles S Adams & Ifan G Hughes
We present an experimental study of seeded four-wave mixing (4WM) using a diamond excitation scheme (with states from the 5S1/2, 5P1/2, 5P3/2 and 5D1/2 terms) in a thermal vapour of 87Rb atoms. We investigate the 4WM spectra under the application of a strong magnetic field (0.6 T). The Zeeman interaction is strong enough to realise the hyperfine Paschen-Back regime, which has the effect of separating the optical transitions by more than the Doppler width, thereby...

Radiation trapping in a dense cold Rydberg gas: Supporting data

Daniel P. Sadler, Elizabeth M. Bridge, Danielle Boddy, Alistair D. Bounds, Niamh C. Keegan, Graham Lochead, Matthew P. A. Jones & Beatriz Olmos
Data files can be opened in Matlab. The authors used Matlab R2015a. If you do not have access to Matlab, Mathematica, Scilab (freeware) or similar applications should be able to open the files.

Exchange constants in molecule-based magnets derived from density functional methods

Tom Lancaster, Stewart Clark & Iori Thomas
Cu(pyz)(NO3)2 is a quasi-one-dimensional molecular antiferromagnet that exhibits three-dimensional long-range magnetic order below T N = 110 mK due to the presence of weak interchain exchange couplings. Here, we compare calculations of the three largest exchange coupling constants in this system using two techniques based on plane-wave basis-set density functional theory: (i) a dimer fragment approach and (ii) an approach using periodic boundary conditions. The calculated values of the large intrachain coupling constant are found...

Correlated magnetic oxides studied using muon-spin spectroscopy: Supporting data

Robert Williams & Tom Lancaster
Supporting data for the PhD thesis of R C Williams: "Correlated magnetic oxides studied using muon-spin spectroscopy"

(C6F6)n- and (C6F6)I- Study Complete Dataset

Joshua Rogers & Cate Anstoter
The primary electron attachment process in electron driven chemistry represents one of the most fundamental chemical transformations with wide-ranging importance in science and technology. However, the mechanistic detail of the seemingly simple reaction of an electron and a neutral to form an anion remains poorly understood, particularly at very low electron energies. Here, time-resolved photoelectron imaging was used to probe the electron attachment process to a non-polar molecule using time-resolved methods. An initially populated diffuse...

Thesis supplementary data: Laser cooling and optical trapping of Ytterbium

Stefan Kemp
This thesis presents the development of an experimental apparatus designed to investigate the ultracold collisional properties for mixtures of Cs and Yb, with a long-term view to the creation of ultracold CsYb molecules via indirect cooling methods. The unpaired electron spin that is inherent to molecules of this form gives rise to a magnetic dipole moment in addition to a ground state electric dipole moment. This enables extra control over molecular interactions and should enable...

Dataset and Software for "On the critical Casimir interaction between anisotropic inclusions on a membrane"

Jorge Benet, Fabien Paillusson & Halim Kusumaatmaja
Abstract from article: Using a lattice model and a versatile thermodynamic integration scheme, we study the critical Casimir interactions between inclusions embedded in a two-dimensional critical binary mixtures. For single-domain inclusions we demonstrate that the interactions are very long range, and their magnitudes strongly depend on the affinity of the inclusions with the species in the binary mixtures, ranging from repulsive when two inclusions have opposing affinities to attractive when they have the same affinities....

Registration Year

  • 2017
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