### Deviations from Born-Oppenheimer mass scaling in spectroscopy and ultracold molecular physics: research data

Jeremy M. Hutson & Jesse J. Lutz
We investigate Born-Oppenheimer breakdown (BOB) effects (beyond the usual mass scaling) for the electronic ground states of a series of homonuclear and heteronuclear alkali-metal diatoms, together with the Sr$_2$ and Yb$_2$ diatomics. Several widely available electronic structure software packages are used to calculate the leading contributions to the total isotope shift for commonly occurring isotopologs of each species. Computed quantities include diagonal Born-Oppenheimer corrections (mass shifts) and isotopic field shifts. Mass shifts dominate for light...

### Supporting Data for Pharmaceutical Polymorph Control in a Drug-Mimetic Supramolecular Gel

Jonathan A. Foster, Krishna K. Damodaran, Antoine Maurin, Graeme M. Day, Hugh P. G. Thompson, Gary S. Cameron, Jenifer Cuestra & Jonathan W. Steed
We report the synthesis of a bis(urea) gelator designed to specifically mimic the chemical structure of the highly polymorphic drug substance ROY. Crystallization of ROY from toluene gels of this gelator results in the formation of the metastable red form instead of the thermodynamic yellow polymorph. In contrast, all other gels and solution control experimetns give the yellow form. Conformational and crystal structure prediction methods have been used to propose the structure of the gel...

### Data_for_the_paper_HD-2D_Routine_high-dispersion two-dimensional NMR

Juan A. Aguilar, Raquel Belda, Alan M. Kenwright & Adolfo Botana
The present manuscript showcases how compressive sensing and pure shift techniques can be combined to produce two-dimensional NMR spectra with a resolving power far higher than can be achieved by conventional means in just a fraction of the time. Compressive sampling can be used to extend the resolving power of multidimensional experiments, but the effective resolution is ultimately limited by the presence of multiplets. Pure shift techniques can remove the multiplet problem but they are...

### Supporting data: Thesis "Creation of Ultracold Polar Ground-State RbCs Molecules", Peter K. Molony, 2016

Peter K. Molony
This thesis reports the creation and trapping of 87RbCs molecules in the absolute ground state with a temperature of 1 uK. We build a tunable narrow-linewidth laser system at 1550 nm and 980 nm, using a single high-finesse optical cavity as a reference for both colours. We use fibre-coupled electro-optic modulators to continuously tune both lasers. These allow a novel measurement of the free spectral range of the cavity to better than 1 part in...

### Vikki Bird thesis supplementary data: Structure and dynamics in polystyrene/single-walled carbon nanotube nanocomposites via neutron scattering techniques

Vikki Bird
The dataset archive contains Origin software project files (*.opj). A free viewer to inspect data can be downloaded form http://www.originlab.com

### Supporting data: Measurement of the binding energy of ultracold 87Rb133Cs molecules using an offset-free optical frequency comb

Peter K. Molony
Data for the above publication, and Excel spreadsheets of the main analysis and error calculations.

### Research data for "Testing the limits of NMR crystallography: the case of caffeine–citric acid hydrate"

Hannah E. Kerr
The crystal structure of a new 1:2 caffeine-citric acid hydrate cocrystal is presented. The caffeine molecules are disordered over two positions, with the nature of the disorder confirmed to be static by 13C solid-state NMR. NMR linewidths in statically disordered systems reflect the distribution of local chemical environments, and this study investigates whether the disorder contribution to 13C linewidths can be predicted computationally. The limits of NMR crystallography calculations using density functional theory are tested...

### Data for "Dressed-state electromagnetically induced transparency for light storage in uniform phase spin-waves"

Nikola Šibalić
We present, experimentally and theoretically, a scheme for dressed-state electromagnetically induced transparency (EIT) in a three-step cascade system where a four-level system is mapped into an effective three-level system. Theoretical analysis reveals that the scheme provides coherent state control via adiabatic following and provides a generalized protocol for light storage in uniform phase spin-waves that are insensitive to motional dephasing. The three-step driving enables a number of other features including spatial selectivity of the excitation...

### Bioinspired Breathable Architecture Data Archive

Rowan M Von Spreckelsen & Matthew T Harris
Abstract from paper: Thuja plicata is a coniferous tree which displays remarkable water channelling properties. In this article, an easily fabricated mesh inspired by the hierarchical macro surface structure of Thuja plicata branchlets is described which emulates this efficient water collection behaviour. The key parameters are shown to be the pore size, pore angle, mesh rotation, tilt angle (branch droop) and layering (branch overlap). Envisaged societal applications include water harvesting and low cost breathable architecture...

### Research data for "Nanoscale depth-resolved polymer dynamics probed by the implantation of low energy muons"

Tom Lancaster, Francis Pratt, Peter Baker, Stephen Blundell, Thomas Prokscha, Elvezio Morenzoni, Andreas Suter & Hazel Assender
The low energy muon (LEM) technique has been used to probe local changes in the dynamical spectrum of thin film polymer samples taking place as a function of the temperature and the implantation depth below the free surface. The studies have been made on samples of polydimethylsiloxane (PDMS) and polybutadiene (PB) using the transverse magnetic field (TF) configuration and diamagnetic probe muons. In PDMS evidence is found for suppression of the glass transition temperature near...

### Supporting data for: Optimal design of a toroidal field magnet system and cost of electricity implications for a tokamak using high temperature superconductors

T. S. Lee, I. Jenkins, Elizabeth Surrey & Damian Hampshire
The potential for reducing the Cost of Electricity (CoE) by using High Temperature Superconductors (HTS) in the Toroidal Field (TF) coils of a fusion tokamak power plant has been investigated using a new HTS module in the PROCESS systems code. We report the CoE and the design of HTS tokamaks that have been optimized by minimising the major radius of the plasma. Potential future improvements in both the superconducting properties and the structural materials for...

### Improved Raindrop Detection using Combined Shape and Saliency Descriptors with Scene Context Isolation - Evaluation Dataset

Toby P. Breckon & Dereck D. Webster
The presence of raindrop induced image distortion has a significant negative impact on the performance of a wide range of all-weather visual sensing applications including within the increasingly import contexts of visual surveillance and vehicle autonomy. A key part of this problem is robust raindrop detection such that the potential for performance degradation in effected image regions can be identified. Here we address the problem of raindrop detection in colour video imagery using an extended...

### Software and Dataset for "Phase Separation on Bicontinuous Cubic Membranes: Symmetry Breaking, Re-entrant and Domain Facetting"

Halim Kusumaatmaja, Fabien Paillusson & Matthew Pennington
We study the phase separation of binary lipid mixtures that form bicontinuous cubic phases. The competition between non-uniform Gaussian membrane curvature and line tension leads to a very rich phase diagram, where we observe symmetry breaking of the membrane morphologies and re- entrant phenomena due to the formation of bridges between segregated domains. Upon increasing the line tension contribution, we also find facetting of lipid domains that we explain using a simple argument based on...

### Data for: "Real-Time Near-Field Terahertz Imaging with Atomic Optical Fluorescence"

Christopher G. Wade, Nikola Šibalić, Natalia R. De Melo, Jorge M. Kondo, Charles S. Adams & Kevin J. Weatherill
Terahertz (THz) near-field imaging is a flourishing discipline, with applications from fundamental studies of beam propagation to the characterisation of metameterials and waveguides. Beating the diffraction limit typically involves rastering structures or detectors with length scale shorter than the radiation wavelength; in the THz domain this has been achieved using a number of techniques including scattering tips and apertures. Alternatively, mapping THz fields onto an optical wavelength and imaging the visible light removes the requirement...

### Durham RCUK Open Access Data Year 2 (Aug2014-Jul2015)

James Bisset
Data on compliance of Durham publications with RCUK Open Access policy, including APC spend from the RCUK block grant. Year 2: August 1st 2014 to July 31st 2015

### Direct measurement of excited-state dipole matrix elements using electromagnetically induced transparency in the hyperfine Paschen-Back regime

Daniel J Whiting, James Keaveney, Charles S Adams & Ifan G Hughes
The folder "transmission-spectra" contains the raw data files (in CSV format) for the transmission signal of the probe beam along with files named etalon and reference which were used in the frequency calibration of the transmission spectra. The folder "beam-profiles" contains the raw images of the probe and control beams in BMP format.

### Data for "Superconducting Properties of Titanium Alloys (Ti-64 and Ti-6242) for Critical Current Barrels"

F. J. Ridgeon, M. J. Raine, D. P. Halliday, M. Lakrimi, A. Thomas & Damian Hampshire
Abstract fro paper — We have measured the superconducting properties of the titanium alloy Ti-6Al-4V (Ti-64) as-supplied and following two of the heat treatment schedules used for the Nb3Sn strands in the ITER tokamak. The Ti-64 alloy is the standard choice in the superconducting community for the barrels used to make critical current (IC) measurements in high magnetic fields at cryogenic temperatures. Ti-64, which has a two-phase alpha + beta microstructure and contains vanadium (nb...

### Supporting data for: Soldered joints—an essential component of demountable high temperature superconducting fusion magnets

Yeekin Tsui, Elizabeth Surrey & Damian Hampshire

### Data for "Rationalising heteronuclear decoupling in refocussing applications of solid-state NMR"

Paul Hodgkinson & Ilya Frantsuzov
Factors affecting the performance of 1H heteronuclear decoupling sequences for magic-angle spinning (MAS) NMR of organic solids are explored, as observed by time constants for the decay of nuclear magnetisation under a spin-echo (T2'). Using a common protocol over a wide range of experimental conditions, including very high magnetic fields and very high radio-frequency (RF) nutation rates, decoupling performance is observed to degrade consistently with increasing magnetic field. Inhomogeneity of the RF field is found...

### Progress towards quantum-enhanced interferometry with harmonically trapped quantum matter-wave bright solitons: Supporting data V2

Bettina Gerjerenken, Timothy P. Wiles & Christoph Weiss
Data supporting the publication http://arxiv.org/abs/1508.00656 Replaces http://dx.doi.org/10.15128/44558d349

### Sildenafil citrate data bundle

Paul Hodgkinson
A combination of solid-state NMR techniques, including 13C/1H correlation, 2H magic-angle spinning NMR and first principles calculation are employed to characterise the role of water in different hydration states of sildenafil citrate. The 13C spectrum is fully assigned for the first time and direct correlations made with respect to the crystal structure. 2H magic-angle spinning NMR is demonstrated to be a powerful tool for the study of dynamic and exchange processes in complex hydrate systems,...

### Data for "Driven-dissipative many-body systems with mixed power-law interactions: Bistabilities and temperature-driven nonequilibrium phase transitions"

Nikola Šibalić
We investigate the nonequilibrium dynamics of a driven-dissipative spin ensemble with competing power-law interactions. We demonstrate that dynamical phase transitions as well as bistabilities can emerge for asymptotic van der Waals interactions, but critically rely on the presence of a slower decaying potential core. Upon introducing random particle motion, we show that a finite gas temperature can drive a phase transition with regards to the spin degree of freedom and eventually leads to mean-field behavior...

### A tunable CW UV laser with <35kHz absolute frequency instability for precision spectroscopy of Sr Rydberg states: supporting data

Elizabeth M. Bridge, Niamh C. Keegan, Alistair D. Bounds, Danielle Boddy, Daniel P. Sadler & Matthew P. A. Jones
We present a solid-state laser system that generates over 200 mW of continuous-wave, narrowband light, tunable from 316.3 nm - 317.7 nm and 318.0 nm - 319.3 nm. The laser is based on commercially available fiber amplifiers and optical frequency doubling technology, along with sum frequency generation in a periodically poled stoichiometric lithium tantalate crystal. The laser frequency is stabilized to an atomic-referenced high finesse optical transfer cavity. Using a GPS-referenced optical frequency comb we...

### Excitation of knotted vortex lines in matter waves: Supporting data

F. Maucher, Simon A. Gardiner & Ifan G. Hughes
Supporting data for the publication http://arxiv.org/abs/1512.01012, "Excitation of knotted vortex lines in matter waves". Authors: Fabian Maucher, Simon A. Gardiner, Ifan G. Hughes.

### Supporting data for Trimeric Cyclamers: Solution Aggregation and High Z′ Crystals Based on Guest Structure and Basicity

Jonathan W. Steed, Stuart R. Kennedy, Adeline Miquelot & Juan A. Aguilar
Ureidosalicylic acid forms remarkable trimeric cyclamer-like crystal structures with either three or six independent molecules in the asymmetric unit as a result of the excess of hydrogen bond donors and guest inclusion within the centre of the cyclamer. The structures persist in solution in hydrogen bond acceptor solvents suggesting a role in solution pre-association in forming high Z′ structures.

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