Network structures: from fundamentals to functionality

Lead Research Organisation: University of Bath
Department Name: Physics

Abstract

Disordered networks are at the heart of a multitude of materials with functional properties where examples range from the glasses used in optical communications technology to the role of water in geological processes. Establishing the network structure, and its relation to a system's physico-chemical and opto-electronic properties, is a prerequisite for making new materials through the principle of rational design. Here we tackle this issue by using an integrated approach to investigate the fundamentals of basic networks, using pressure to manipulate the bonding and network topology. Oxide and chalcogenide glasses along with water will be investigated, the systems chosen to be exemplars of network forming materials with different bonding mechanisms. The contrasting bonding schemes confer the networks with different characteristics and have the potential for making modified materials with tailored functional and structural properties. Applications include the recovery to ambient conditions of materials with novel characteristics, sequestration of the green house gas CO2 by geological fluids, and the effect of rare-earth clustering on the photonic properties of glass.

The inherent disorder of liquid and glassy network structures is a blessing, in delivering materials of unique scientific and technological importance, but is also a curse, in providing complexity on the atomic scale. The method of neutron diffraction with isotope substitution (NDIS) has played a pivotal role in unravelling the mysteries of disordered materials since it allows access to the so-called partial structure factors i.e. to the maximum information that can be extracted from a diffraction experiment. Over the last 3 years, Bath has led an initiative to develop the techniques for measuring accurate neutron diffraction patterns for glasses and liquids at high pressures using the Paris-Edinburgh press. Thus, the time is now ideal to exploit the NDIS method to make in situ high pressure and temperature investigations of structurally disordered materials.

We intend to investigate the mechanisms of structural collapse in three classes of system with different bonding schemes and concomitant network properties, namely oxide glasses (GeO2), chalcogenide glasses (e.g. GeSe2, As2Se3, AsSe) and water. These particular systems are chosen because they are archetypical materials for the study of disordered networks e.g. they either show or are anticipated to show polyamorphic phase transformations in which there is an abrupt change in their structure and physical properties with change of pressure and/or temperature. In the case of the chalcogenide glasses, the large structural variability leads to the possibility of recovering new materials with novel functional properties to ambient conditions.

The structure of two types of adapted networks will also be considered, namely salty water and rare-earth alumino silicate glasses. In the former, the experiments will be made under the high pressure and temperature conditions relevant for geological fluids where applications include the sequestration of CO2. In the latter, the phenomenon of rare-earth clustering will be investigated with a view to controlling the separation of nearest-neighbour ions and hence the optical properties of these materials.

Complementary information will be provided, where applicable, by NMR (Warwick), high energy x-ray diffraction, EXAFS spectroscopy and other experimental techniques. The NMR work will include well established nuclei (27Al and 29Si for the alumino silicates) but will extend the boundaries of the method by using 17O, 73Ge and 77Se. A combination of isotopic enrichment and NMR enhancement schemes will maximise the amount of structural information that can be extracted by using these nuclei as probes. Importantly, the experimental work will be enriched and complemented by molecular dynamics simulations made in collaboration with groups in Oxford, Cambridge and Strasbourg.

Planned Impact

Our proposal aims at understanding the fundamentals of the structure-function relationship for key network forming materials. The scope of the proposal is multi-disciplinary and the results will impact on areas that include materials, physics, chemistry and geology. For example, amorphous oxides play an essential role in most scientific and technological disciplines where examples include the glasses used for lasers and optical communications, the insulating oxide layers in silicon-based electronic devices, and molten silicates in planetary science. Rare-earth doped aluminosilicate glasses are at the heart of materials used as lasers and optical amplifiers for all-fibre optical systems. Chalcogenide glasses have wide application in infra-red optics and in re-writable optical disc technology where structural transformations govern the optical reflectivity and hence the functionality of the materials. Researchers from Corning Glass Inc. have a broad interest in chalcogenide materials as recovered from extreme conditions and many of their publications in recent years have been devoted to chalcogenide glasses.

Water and its adaptations when salt is added are of fundamental importance and have multiple applications as solvents in chemical and geological processes. For example, CO2 is an important greenhouse gas and several routes have been proposed for its sequestration by e.g. solubility trapping in deep aquifers and subsequent mineral trapping in carbonates. Key to these processes is the structure of so-called geological fluids e.g. the water network as modified by salts such as NaCl under geological (high pressure P and temperature T) conditions. The structure of geological fluids is also important for enhanced oil recovery, mass transfer within the Earth's crust by hydrothermal transport, and magma generation at convergent tectonic plate margins. Fluids under high P and T conditions can also be used to advantage in promoting the dissolution of reactants that are otherwise insoluble, leading to synthesis routes for new materials.

It is therefore plausible that our research will, in the medium to long term, impact on: -

(i) Commercialisation and exploitation of scientific knowledge - through the provision of new chalcogenide materials with novel functional properties, through the elucidation of the phenomenon of rare-earth clustering in photonic materials, and through the ability to make new materials via the principle of rational design.

(ii) Environmental sustainability, protection and impact reduction - through an enhanced understanding of geological fluids and their impact on issues like the sequestration of greenhouse gases such as CO2.

(iii) Evidence based policy making - through the creation of enhanced thermodynamic models of geological fluids to predict the fate of CO2 injected in deep aquifers in both the short- and long-term.

(iv) Increased public awareness and understanding of science, economic and societal issues - by exploiting preliminary contacts with local groups such as the Cafe Scientifique and the Bath Literary and Scientific Institution, which have a long standing tradition of hosting regular public discussions of topical scientific issues.

(v) Training of skilled people for non-academic professions - the Researcher Co-Investigator will gain the generic transferrable skills associated with the planning and realisation of a multi-faceted interdisciplinary project at all of its stages, from conception to conclusions.

Organisations


Publications


10 25 50
 
Description We have developed the method of neutron diffraction with isotope substitution for the investigation of disordered materials under pressures up to 8 GP. The pressure range for in situ neutron diffraction experiments on glassy and liquid materials has also been extended to 17.5 GPa. A topical review that describes this methodology has been published.

These new experimental methods have been applied to investigate the structures of the oxide glass GeO2 and the chalcogenide glasses GeSe2 and GeSe4. The pressure dependence of these materials has also been modelled by using appropriate molecular dynamics methods, yielding results that are in agreement with experiment. This combination of methods has provided detailed information on the mechanisms of network collapse e.g. from a tetrahedral to an octahedral glass in the case of GeO2. All of this work has been published in the Physical Review B and Journal of Physics: Condensed Matter.

The structure of B2O3 glass was investigated by in situ neutron diffraction at pressures up to 17.5 GPa, helping to rationalise the results obtained from other experiment methods. The pressure dependence of the structure, which involves the dissolution of boroxol rings, has also been investigated by using a newly developed aspherical ion model that is able to provide results of unprecedented accuracy at pressures up to at least 10 GPa. This work has been published in the Physical Review B.

The structure of SiO2 glass was investigated by in situ neutron diffraction at pressures up to 17.5 GPa. The results were combined with x-ray diffraction and molecular dynamics simulations to develop a mechanism for network collapse that involves a successive closure of neighbouring primitive rings (the "zipper" mechanism). This work was been published in the Physical Review Letters.

The structures of a multitude of oxide materials under extreme conditions have been analysed, and the network transformations have been rationalised in terms of a structural map that involves the oxygen packing fraction. As the packing fraction reaches the value expected for a random lose packing of hard spheres, tetrahedral networks transform into octahedral networks. This analysis also holds for molten basalt under deep mantle conditions. The results have been published in the Proceedings of the National Academy of Sciences.

The in situ high pressure neutron diffraction method has also been developed to measure the structure of disordered materials at pressures up to 8 GPa and temperatures up to 150 deg C. The technique has been applied to measure the structure of both water and salty water. To aid in the interpretation of the results, we have also developed a cell for investigating these materials at pressures up to 0.2 GPa and temperatures up to 400 deg C. A full analysis of the results is under way.
Exploitation Route The instrument developments provide the means for employing the method of neutron diffraction to measure the structure of liquid and glassy materials in situ at pressures up to17.5 GPa and temperatures up to 150 deg C. All of the apparatus is available to the scientific community at the ILL and ISIS.

The structural maps for oxide materials should prove useful for the design of new materials by offering the means for predicting when structural transformations may occur. This information will also be important for the geophysics community because structural transformations alter the compressibility and transport properties (e.g. viscosity) of magma-related materials.

The molecular dynamics methods used to investigate the structure of the selected prototypical materials under high-pressure conditions should also be transferrable to other materials e.g. from silica to silicates.
Sectors Energy,Environment,Manufacturing, including Industrial Biotechology
URL http://people.bath.ac.uk/pyspss/
 
Description It is important to know where the atoms in a material sit relative to one another in order to understand e.g. its functional properties. We have developed new methods for obtaining this information in the case of liquid and glassy materials under high-pressure and high-temperature conditions. Beneficiaries: The new methodology has been described in detail in our publications, and the apparatus is now available to the user community at central facilities. Contribution Method: Researchers now have the ability to investigate the detailed structure of liquid and glassy materials under high-pressure and high-temperature conditions through the new development of the apparatus and experimental protocols. Fields in which this should impact include CO2 sequestration.
First Year Of Impact 2012
Sector Energy,Environment,Manufacturing, including Industrial Biotechology
Impact Types Economic
 
Description ESRF Review Committee C05 for beamlines BM01A, ID06-LVP, ID09A, ID18, ID27 and ID28 (Grenoble, France) (2012-2013)
Geographic Reach Asia 
Policy Influence Type Participation in advisory committee
URL http://www.esrf.eu/UsersAndScience/UserGuide/Applying
 
Description ISIS User Committee
Geographic Reach National 
Policy Influence Type Participation in a advisory committee
URL http://www.isis.stfc.ac.uk/user-office/user-committee/user-committee-9230.html
 
Description J-PARC proposal review panel, Materials and Life Science Facility, Japan (2014- )
Geographic Reach Europe 
Policy Influence Type Participation in advisory committee
 
Description AWE-Bath PhD Studentship
Amount £48,366 (GBP)
Organisation Atomic Weapons Establishment (AWE) 
Sector Private
Country United Kingdom of Great Britain & Northern Ireland (UK)
Start 09/2015 
End 03/2019
 
Description Corning Incorporated's Gordon S. Fulcher Distinguished Scholarship
Amount $40,000 (USD)
Organisation Corning Inc. 
Sector Private
Country United States of America
Start 08/2016 
End 01/2017
 
Description ILL PhD Studentship
Amount £51,553 (GBP)
Organisation Lohengrin (Institut Laue-Langevin) 
Sector Public
Country France, French Republic
Start 10/2013 
End 09/2016
 
Description Royal Society - EPSRC Dorothy Hodgkin Research Fellowship
Amount £469,203 (GBP)
Organisation The Royal Society 
Sector Academic/University
Country United Kingdom of Great Britain & Northern Ireland (UK)
Start 10/2015 
End 09/2020
 
Description University of Bath PhD studentship
Amount £56,970 (GBP)
Organisation University of Bath 
Sector Academic/University
Country United Kingdom of Great Britain & Northern Ireland (UK)
Start 10/2012 
End 09/2015
 
Title High-pressure neutron diffraction 
Description We have developed, over a period of several years, the method of in situ neutron diffraction to investigate the structure of liquid and glassy materials 
Type Of Material Improvements to research infrastructure 
Year Produced 2010 
Provided To Others? Yes  
Impact The results from the new technique haven been used extensively by theorists to develop realistic atomistic models for materials under compression. 
 
Description ANL - Benmore 
Organisation Argonne National Laboratory (ANL)
Country United States of America 
Sector Academic/University 
PI Contribution Complementary expertise on disordered materials from Bath and ANL
Collaborator Contribution Complementary expertise on disordered materials from Bath and ANL
Impact 1. Martin R A, Salmon P S, Benmore C J, Fischer H E and Cuello G J, "Structure of lanthanum and cerium phosphate glasses by the method of isomorphic substitution in neutron diffraction" 2003 Phys. Rev. B 68 054203-1,11. 2. Mei Q, Benmore C J, Hart R T, Bychkov E, Salmon P S, Martin C D, Michel F M, Antao S M, Chupas P J, Lee P L, Shastri S D, Parise J B, Leinenweber K, Amin S and Yarger J L "Topological changes in glassy GeSe2 at pressures up to 9.3 GPa determined by high energy x-ray and neutron diffraction measurements" 2006 Phys. Rev. B 74 014203-1,10. 3. Zeidler A, Drewitt J W E, Salmon P S, Barnes A C, Crichton W A, Klotz S, Fischer H E, Benmore C J, Ramos S and Hannon A C, "Establishing the structure of GeS2 at high pressures and temperatures: a combined approach using x-ray and neutron diffraction" 2009 J. Phys.: Condens. Matter 21 474217 4. Skinner L B, Barnes A C, Salmon P S, Hennet L, Fischer H E, Benmore C J, Kohara S, Weber J K R, Bytchkov A, Wilding M C, Parise J B, Farmer T O, Pozdnyakova I, Tumber S K and Ohara K. "Joint diffraction and modeling approach to the structure of liquid alumina" 2013 Phys. Rev. B 87 024201
 
Description Aberystwyth University - Wilding 
Organisation Aberystwyth University
Country United Kingdom of Great Britain & Northern Ireland (UK) 
Sector Academic/University 
PI Contribution Sample preparation and high pressure neutron diffraction expertise
Collaborator Contribution Geophysics expertise
Impact Two papers in PRB, one in PRL
Start Year 2010
 
Description CNRS - Paris (Ferlat) 
Organisation Pierre and Marie Curie University - Paris 6
Country France, French Republic 
Sector Academic/University 
PI Contribution Experiment (Bath) versus computation (Paris)
Collaborator Contribution Experiment (Bath) versus computation (Paris)
Impact Zeidler A, Wezka K, Whittaker D A J, Salmon P S, Baroni A, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G, Salanne M, Ferlat G and Micoulaut M, "Density-driven structural transformations in B2O3 glass" 2014 Phys. Rev. B 90 024206
Start Year 2013
 
Description CNRS - Paris (Klotz) 
Organisation Pierre and Marie Curie University - Paris 6
Country France, French Republic 
Sector Academic/University 
PI Contribution Expertise in disordered materials
Collaborator Contribution Expertise in high pressure
Impact 1. Zeidler A, Drewitt J W E, Salmon P S, Barnes A C, Crichton W A, Klotz S, Fischer H E, Benmore C J, Ramos S and Hannon A C, "Establishing the structure of GeS2 at high pressures and temperatures: a combined approach using x-ray and neutron diffraction" 2009 J. Phys.: Condens. Matter 21 474217 2. Drewitt J W E, Salmon P S, Barnes A C, Klotz S, Fischer H E and Crichton W A, "Structure of GeO2 glass at pressures up to 8.6 GPa" 2010 Phys. Rev. B 81 014202 3. Wezka K, Salmon P S, Zeidler A, Whittaker D A J, Drewitt J W E, Klotz S, Fischer H E and Marrocchelli D, "Mechanisms of network collapse in GeO2 glass: High-pressure neutron diffraction with isotope substitution as arbitrator of competing models" 2012 J. Phys.: Condens. Matter 24 502101 4. Zeidler A, Wezka K, Whittaker D A J, Salmon P S, Baroni A, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G, Salanne M, Ferlat G and Micoulaut M, "Density-driven structural transformations in B2O3 glass" 2014 Phys. Rev. B 90 024206 5. Wezka K, Bouzid A, Pizzey K J, Salmon P S, Zeidler A, Klotz S, Fischer H E, Bull C L, Tucker M G, Boero M, Le Roux S, Tugène C and Massobrio C, "Density-driven defect-mediated network collapse of GeSe2 glass" 2014 Phys. Rev. B 90 054206 6. Zeidler A, Wezka K, Rowlands R F, Whittaker D A J, Salmon P S, Polidori A, Drewitt J W E, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G and Wilson M, "High-pressure transformation of SiO2 glass from a tetrahedral to an octahedral network: A joint approach using neutron diffraction and molecular dynamics." 2014 Phys. Rev. Lett. 113 135501
Start Year 2006
 
Description CNRS - Paris (Micoulaut) 
Organisation Pierre and Marie Curie University - Paris 6
Country France, French Republic 
Sector Academic/University 
PI Contribution Experiment (Bath) versus simulation (Paris)
Collaborator Contribution Experiment (Bath) versus simulation (Paris)
Impact 1. Massobrio C, Celino M, Salmon P S, Martin R A, Micoulaut M and Pasquarello A, "Atomic structure of the two intermediate phase glasses GeSe4 and SiSe4" 2009 Phys. Rev. B 79 174201 2. Massobrio C, Micoulaut M and Salmon P S, "Impact of the exchange-correlation functional on the structure of glassy GeSe2" 2010 Solid State Sciences 12 199-203. 3. Le Roux S, Zeidler A, Salmon P S, Boero M, Micoulaut M and Massobrio C, "Structural properties of liquid Ge2Se3: a first principles study" 2011 Phys. Rev. B 84 134203 4. Zeidler A, Wezka K, Whittaker D A J, Salmon P S, Baroni A, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G, Salanne M, Ferlat G and Micoulaut M, "Density-driven structural transformations in B2O3 glass" 2014 Phys. Rev. B 90 024206
Start Year 2008
 
Description CNRS - Paris (Salanne) 
Organisation Pierre and Marie Curie University - Paris 6
Country France, French Republic 
Sector Academic/University 
PI Contribution Experiment (Bath) versus simulation (Paris)
Collaborator Contribution Experiment (Bath) versus simulation (Paris)
Impact Zeidler A, Wezka K, Whittaker D A J, Salmon P S, Baroni A, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G, Salanne M, Ferlat G and Micoulaut M, "Density-driven structural transformations in B2O3 glass" 2014 Phys. Rev. B 90 024206
Start Year 2013
 
Description CNRS - Strasbourg 
Organisation National Center for Scientific Research (Centre National de la Recherche Scientifique CNRS)
Department The Institute of Physics and Chemistry of Materials of Strasbourg (IPCMS)
Country France, French Republic 
Sector Academic/University 
PI Contribution Experiment (Bath) versus first principles molecular dynamics (Strasbourg)
Collaborator Contribution Experiment (Bath) versus first principles molecular dynamics (Strasbourg)
Impact 1. Matsubara M, Celino M, Salmon P S and Massobrio C, "Atomic scale modelling of materials: a prerequisite for any multi-scale approach to structural and dynamical properties" 2008 Solid State Phenomena 139 141-150. 2. Massobrio C, Celino M, Salmon P S, Martin R A, Micoulaut M and Pasquarello A, "Atomic structure of the two intermediate phase glasses GeSe4 and SiSe4" 2009 Phys. Rev. B 79 174201 3. Massobrio C, Micoulaut M and Salmon P S, "Impact of the exchange-correlation functional on the structure of glassy GeSe2" 2010 Solid State Sciences 12 199-203. 4. Le Roux S, Zeidler A, Salmon P S, Boero M, Micoulaut M and Massobrio C, "Structural properties of liquid Ge2Se3: a first principles study" 2011 Phys. Rev. B 84 134203 5. Wezka K, Bouzid A, Pizzey K J, Salmon P S, Zeidler A, Klotz S, Fischer H E, Bull C L, Tucker M G, Boero M, Le Roux S, Tugène C and Massobrio C, "Density-driven defect-mediated network collapse of GeSe2 glass" 2014 Phys. Rev. B 90 054206
 
Description ESRF 
Organisation European Synchrotron Radiation Facility (ESRF)
Country European Union (EU) 
Sector Academic/University 
PI Contribution Complementary experimental skills
Collaborator Contribution Complementary experimental skills
Impact 1. Skinner L B, Barnes A C, Salmon P S and Crichton W A, "Phase separation, crystallization and polyamorphism in the Y2O3-Al2O3 system" 2008 J. Phys.: Condens. Matter 20 205103 2. Zeidler A, Drewitt J W E, Salmon P S, Barnes A C, Crichton W A, Klotz S, Fischer H E, Benmore C J, Ramos S and Hannon A C, "Establishing the structure of GeS2 at high pressures and temperatures: a combined approach using x-ray and neutron diffraction" 2009 J. Phys.: Condens. Matter 21 474217 3. Barnes A C, Skinner L B, Salmon P S, Bytchkov A, Pozdnyakova I, Farmer T O and Fischer H E "The liquid-liquid phase transition in supercooled yttria-alumina" 2009 Phys. Rev. Lett. 103 225702 4. Drewitt J W E, Salmon P S, Barnes A C, Klotz S, Fischer H E and Crichton W A, "Structure of GeO2 glass at pressures up to 8.6 GPa" 2010 Phys. Rev. B 81 014202 5. Barnes A C, Skinner L B, Salmon P S, Bytchkov A, Pozdnyakova I, Farmer T O and Fischer H E, "Reply to the Comment by Greaves et al." 2011 Phys. Rev. Lett. 106 119602 6. Skinner L B, Barnes A C, Salmon P S, Fischer H E, Drewitt J W E and Honkimäki V, "Structure and triclustering in Ba-Al-O glass" 2012 Phys. Rev. B 85 064201 7. Skinner L B, Barnes A C, Salmon P S, Hennet L, Fischer H E, Benmore C J, Kohara S, Weber J K R, Bytchkov A, Wilding M C, Parise J B, Farmer T O, Pozdnyakova I, Tumber S K and Ohara K. "Joint diffraction and modeling approach to the structure of liquid alumina" 2013 Phys. Rev. B 87 024201
 
Description Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, USA 
Organisation Carnegie Institution for Science (CIS)
Department Geophysical Laboratory
Country United States of America 
Sector Academic/University 
PI Contribution Provision of samples, data analysis skills
Collaborator Contribution High pressure x-ray diffraction expertise
Impact Paper in High Pressure Research (2015)
Start Year 2014
 
Description ILL 
Organisation Institut Laue–Langevin
Country France, French Republic 
Sector Public 
PI Contribution Complementary experimental skills
Collaborator Contribution Complementary experimental skills
Impact 1. Barnes A C, Lague S B, Salmon P S and Fisher H E, "A determination of the structure of liquid Ag2Se using neutron diffraction and isotopic substitution" 1997 J. Phys.: Condens. Matter 9 6159-6173. 2. van der Aart S A, Verkerk P, Barnes A C, Salmon P S, Winter R, Fischer H, de Graaf L A and van der Lugt W, "Structure in liquid KTl investigated by means of neutron diffraction using 205Tl isotope substitution" 1997 Physica B 241-243 961-963. 3. Salmon P S, Xin S and Fischer H E, "Structure of the Glassy Fast-ion Conductor AgPS3 by Neutron Diffraction" 1998 Phys. Rev. B 58 6115-6123. 4. Petri I, Salmon P S and Fischer H E, "Structure of molten GeSe by neutron diffraction: the Ge coordination environment" 1999 J. Non-Cryst. Sol. 250-252 405-409. 5. Petri I, Salmon P S and Fischer H E, "Structure of the liquid semiconductor GeSe" 1999 J. Phys.: Condens. Matter 11 7051-7060. 6. Petri I, Salmon P S and Fischer H E, "Defects in a disordered world: the structure of the binary network glass GeSe2" 2000 Phys. Rev. Lett. 84 2413-2416. 7. Pasquarello A, Petri I, Salmon P S, Parisel O, Car R, Tóth É, Powell D H, Fischer H E, Helm L and Merbach A E, "First solvation shell of the Cu(II) aqua ion: evidence for fivefold coordination" 2001 Science 291 856-859. 8. Martin R A, Salmon P S, Barnes A C and Cuello G J, "Structure of molten TbCl3 measured by using neutron diffraction" 2002 J. Phys.: Condens. Matter 14 L703-L707. 9. Martin R A, Salmon P S, Barnes A C and Cuello G J, "Structure of molten TbCl3 measured by using neutron diffraction" 2002 J. Phys.: Condens. Matter 14 L703-L707. 10. Martin R A, Salmon P S, Fischer H E and Cuello G J, "Identification of the relative distribution of rare-earth ions in phosphate glasses" 2003 Phys. Rev. Lett. 90 185501-1,4. 11. Martin R A, Salmon P S, Benmore C J, Fischer H E and Cuello G J, "Structure of lanthanum and cerium phosphate glasses by the method of isomorphic substitution in neutron diffraction" 2003 Phys. Rev. B 68 054203-1,11. 12. Martin R A, Salmon P S, Fischer H E and Cuello G J, "Structure of dysprosium and holmium phosphate glasses by the method of isomorphic substitution in neutron diffraction" 2003 J. Phys.: Condens. Matter 15 8235-8252. 13. Salmon P S, Petri I, de Jong P H K, Verkerk P, Fischer H E and Howells W S, "Structure of liquid lithium" 2004 J. Phys.: Condens. Matter 16 195-222. 14. Martin R A, Salmon P S, Fischer H E and Cuello G J, "Structure of rare-earth phosphate glasses by neutron diffraction" 2004 J. Non-Cryst. Solids 345-346 208-212. 15. Salmon P S, Martin R A, Mason P E and Cuello G J, "Topological versus chemical ordering in network glasses at intermediate and extended length scales" 2005 Nature 435 75-78. 16. Fischer H E, Barnes, A C and Salmon P S, "Neutron and x-ray diffraction studies of liquids and glasses" 2006 Reports on Progress in Physics 69 233-299. 17. Salmon P S, Barnes A C, Martin R A and Cuello G J, "Glass fragility and atomic ordering on the intermediate and extended range" 2006 Phys. Rev. Lett. 96 235502-1,4. 18. Salmon P S, Barnes A C, Martin R A and Cuello G J, "Structure of glassy GeO2" 2007 J. Phys.: Condens. Matter 19 415110 19. Zeidler A, Drewitt J W E, Salmon P S, Barnes A C, Crichton W A, Klotz S, Fischer H E, Benmore C J, Ramos S and Hannon A C, "Establishing the structure of GeS2 at high pressures and temperatures: a combined approach using x-ray and neutron diffraction" 2009 J. Phys.: Condens. Matter 21 474217 20. Barnes A C, Skinner L B, Salmon P S, Bytchkov A, Pozdnyakova I, Farmer T O and Fischer H E "The liquid-liquid phase transition in supercooled yttria-alumina" 2009 Phys. Rev. Lett. 103 225702 21. Drewitt J W E, Salmon P S, Barnes A C, Klotz S, Fischer H E and Crichton W A, "Structure of GeO2 glass at pressures up to 8.6 GPa" 2010 Phys. Rev. B 81 014202 22. Zeidler A, Salmon P S, Martin R A, Usuki T, Mason P E, Cuello G J, Kohara S and Fischer H E "Structure of liquid and glassy ZnCl2" 2010 Phys. Rev. B 82 104208 23. Chirawatkul P, Zeidler A, Salmon P S, Takeda S, Kawakita Y, Usuki T and Fischer H E, "Structure of eutectic liquids in the Au-Si, Au-Ge and Ag-Ge binary systems by neutron diffraction" 2011 Phys. Rev. B 83 014203 24. Barnes A C, Skinner L B, Salmon P S, Bytchkov A, Pozdnyakova I, Farmer T O and Fischer H E, "Reply to the Comment by Greaves et al." 2011 Phys. Rev. Lett. 106 119602 25. Wezka K, Zeidler A, Salmon P S, Kidkhunthod P, Barnes A C and Fischer H E, "Structure of praseodymium and neodymium gallate glasses" 2011 J. Non-Cryst. Solids 357 2511-2515. 26. Zeidler A, Salmon P S, Fischer H E, Neuefeind J C, Simonson J M, Lemmel H, Rauch H and Markland T E, "Oxygen as a site specific probe of the structure of water and oxide materials" 2011 Phys. Rev. Lett. 107 145501 27. Skinner L B, Barnes A C, Salmon P S, Fischer H E, Drewitt J W E and Honkimäki V, "Structure and triclustering in Ba-Al-O glass" 2012 Phys. Rev. B 85 064201 28. Zeidler A, Salmon P S, Fischer H E, Neuefeind J C, Simonson J M, Lemmel H, Rauch H and Markland T E, "Reply to the Comment by Soper and Benmore" 2012 Phys. Rev. Lett. 108 259604 29. Zeidler A, Salmon P S, Fischer H E, Markland T E, Neuefeind J C and Simonson J M, "Isotope effects in water as investigated by using neutron diffraction and path integral molecular dynamics" 2012 J. Phys.: Condens. Matter 24 284126 30. Wezka K, Salmon P S, Zeidler A, Whittaker D A J, Drewitt J W E, Klotz S, Fischer H E and Marrocchelli D, "Mechanisms of network collapse in GeO2 glass: High-pressure neutron diffraction with isotope substitution as arbitrator of competing models" 2012 J. Phys.: Condens. Matter 24 502101 31. Fischer H E, Simonson J M, Neuefeind J, Lemmel H, Rauch H, Zeidler A and Salmon P S, "The bound coherent neutron scattering lengths of the oxygen isotopes" 2012 J. Phys.: Condens. Matter 24, 505105 32. Drewitt J W E, Hennet L, Zeidler A, Jahn S, Salmon P S, Neuville D R and Fischer H E, "Structural transformations on vitrification in the fragile-glass forming system CaAl2O4" 2012 Phys. Rev. Lett. 109 235501 33. Skinner L B, Barnes A C, Salmon P S, Hennet L, Fischer H E, Benmore C J, Kohara S, Weber J K R, Bytchkov A, Wilding M C, Parise J B, Farmer T O, Pozdnyakova I, Tumber S K and Ohara K. "Joint diffraction and modeling approach to the structure of liquid alumina" 2013 Phys. Rev. B 87 024201 34. Zeidler A, Wezka K, Whittaker D A J, Salmon P S, Baroni A, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G, Salanne M, Ferlat G and Micoulaut M, "Density-driven structural transformations in B2O3 glass" 2014 Phys. Rev. B 90 024206 35. Wezka K, Bouzid A, Pizzey K J, Salmon P S, Zeidler A, Klotz S, Fischer H E, Bull C L, Tucker M G, Boero M, Le Roux S, Tugène C and Massobrio C, "Density-driven defect-mediated network collapse of GeSe2 glass" 2014 Phys. Rev. B 90 054206 36. Zeidler A, Wezka K, Rowlands R F, Whittaker D A J, Salmon P S, Polidori A, Drewitt J W E, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G and Wilson M, "High-pressure transformation of SiO2 glass from a tetrahedral to an octahedral network: A joint approach using neutron diffraction and molecular dynamics." 2014 Phys. Rev. Lett. 113 135501 37. Zeidler A, Chirawatkul P, Salmon P S, Usuki T, Kohara S, Fischer H E and Howells W S, "Structure of the network glass-former ZnCl2: From the boiling point to the glass" 2014 J. Non-Cryst. Solids (in press).
 
Description ISIS 
Organisation ISIS
Country United Kingdom of Great Britain & Northern Ireland (UK) 
Sector Public 
PI Contribution Complemenary experimental skills
Collaborator Contribution Complemenary experimental skills
Impact 1. Salmon P S, Howells W S and Mills R, "The dynamics of water molecules in ionic solution: II. Quasi-elastic neutron scattering and tracer diffusion studies of the proton and ion dynamics in concentrated Ni2+, Cu2+ and Nd3+ aqueous solutions" 1987 J. Phys. C: Solid State Phys. 20 5727-5747 2. Petri I, Salmon P S and Howells W S, "Change in topology of the glass forming liquid GeSe2 with increasing temperature" 1999 J. Phys.: Condens. Matter 11 10219-10227. 3. Salmon P S, Petri I, de Jong P H K, Verkerk P, Fischer H E and Howells W S, "Structure of liquid lithium" 2004 J. Phys.: Condens. Matter 16 195-222. 4. Martin R A, Salmon P S, Carroll D L, Smith M E and Hannon A C, "Structure and thermal properties of yttrium alumino-phosphate glasses" 2008 J. Phys.: Condens. Matter 20 115204 5. Zeidler A, Drewitt J W E, Salmon P S, Barnes A C, Crichton W A, Klotz S, Fischer H E, Benmore C J, Ramos S and Hannon A C, "Establishing the structure of GeS2 at high pressures and temperatures: a combined approach using x-ray and neutron diffraction" 2009 J. Phys.: Condens. Matter 21 474217 6. Salmon P S, Drewitt J W E, Whittaker D A J, Zeidler A, Wezka K, Bull C L, Tucker M G, Wilding M C, Guthrie M and Marrocchelli D, "Density-driven structural transformations in network forming glasses: A high-pressure neutron diffraction study of GeO2 glass up to 17.5 GPa" 2012 J. Phys.: Condens. Matter 24 415102 7. Zeidler A, Wezka K, Whittaker D A J, Salmon P S, Baroni A, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G, Salanne M, Ferlat G and Micoulaut M, "Density-driven structural transformations in B2O3 glass" 2014 Phys. Rev. B 90 024206 8. Wezka K, Bouzid A, Pizzey K J, Salmon P S, Zeidler A, Klotz S, Fischer H E, Bull C L, Tucker M G, Boero M, Le Roux S, Tugène C and Massobrio C, "Density-driven defect-mediated network collapse of GeSe2 glass" 2014 Phys. Rev. B 90 054206 9. Zeidler A, Wezka K, Rowlands R F, Whittaker D A J, Salmon P S, Polidori A, Drewitt J W E, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G and Wilson M, "High-pressure transformation of SiO2 glass from a tetrahedral to an octahedral network: A joint approach using neutron diffraction and molecular dynamics." 2014 Phys. Rev. Lett. 113 135501 10. Zeidler A, Chirawatkul P, Salmon P S, Usuki T, Kohara S, Fischer H E and Howells W S, "Structure of the network glass-former ZnCl2: From the boiling point to the glass" 2014 J. Non-Cryst. Solids (in press).
Start Year 2006
 
Description Institut Charles Gerhardt, UMR 5253 CNRS, CC 1503, Université de Montpellier 
Organisation University of Montpellier
Country France, French Republic 
Sector Academic/University 
PI Contribution Collaboration of mixed phase Ag-Ge-Se glasses. Neutron diffraction and glass preparation expertise
Collaborator Contribution Glass characterisation expertise
Impact Paper in Z. Phys. Chem. (in press, 2016)
Start Year 2010
 
Description Materials Development, Inc. 
Organisation Materials Development, Inc.
Country United States of America 
Sector Private 
PI Contribution Our published work has benefitted from making multiple partnerships, including the company Materials Development, Inc., Arlington Heights, Illinois 60004, USA
Collaborator Contribution Personnel and equipment
Impact The collaboration has so far resulted in two publications: - 1. Skinner L B, Barnes A C, Salmon P S, Hennet L, Fischer H E, Benmore C J, Kohara S, Weber J K R, Bytchkov A, Wilding M C, Parise J B, Farmer T O, Pozdnyakova I, Tumber S K and Ohara K. "Joint diffraction and modeling approach to the structure of liquid alumina" 2013 Phys. Rev. B 87 024201 2. Zeidler A, Salmon P S and Skinner L B, "Packing and the structural transformations in liquid and amorphous oxides from ambient to extreme conditions" 2014 Proc. Natl. Acad. Sci. USA 111 10045-10048
Start Year 2012
 
Description ORNL 
Organisation U.S. Department of Energy
Department Oak Ridge National Laboratory (ORNL)
Country United States of America 
Sector Public 
PI Contribution Complementary experimental skills
Collaborator Contribution Complementary experimental skills
Impact 1. Zeidler A, Salmon P S, Fischer H E, Neuefeind J C, Simonson J M, Lemmel H, Rauch H and Markland T E, "Oxygen as a site specific probe of the structure of water and oxide materials" 2011 Phys. Rev. Lett. 107 145501 2. Zeidler A, Salmon P S, Fischer H E, Neuefeind J C, Simonson J M, Lemmel H, Rauch H and Markland T E, "Reply to the Comment by Soper and Benmore" 2012 Phys. Rev. Lett. 108 259604 3. Zeidler A, Salmon P S, Fischer H E, Markland T E, Neuefeind J C and Simonson J M, "Isotope effects in water as investigated by using neutron diffraction and path integral molecular dynamics" 2012 J. Phys.: Condens. Matter 24 284126 4. Fischer H E, Simonson J M, Neuefeind J, Lemmel H, Rauch H, Zeidler A and Salmon P S, "The bound coherent neutron scattering lengths of the oxygen isotopes" 2012 J. Phys.: Condens. Matter 24, 505105 (11 pages).
Start Year 2008
 
Description SPrinG-8 
Organisation RIKEN
Department SPring 8, Japan
Country Japan 
Sector Charity/Non Profit 
PI Contribution Complementary experimental expertise
Collaborator Contribution Complementary experimental expertise
Impact 1. Zeidler A, Salmon P S, Martin R A, Usuki T, Mason P E, Cuello G J, Kohara S and Fischer H E "Structure of liquid and glassy ZnCl2" 2010 Phys. Rev. B 82 104208 2. Skinner L B, Barnes A C, Salmon P S, Hennet L, Fischer H E, Benmore C J, Kohara S, Weber J K R, Bytchkov A, Wilding M C, Parise J B, Farmer T O, Pozdnyakova I, Tumber S K and Ohara K. "Joint diffraction and modeling approach to the structure of liquid alumina" 2013 Phys. Rev. B 87 024201 3. Zeidler A, Chirawatkul P, Salmon P S, Usuki T, Kohara S, Fischer H E and Howells W S, "Structure of the network glass-former ZnCl2: From the boiling point to the glass" 2014 J. Non-Cryst. Solids (in press).
Start Year 2008
 
Description Stanford University 
Organisation Stanford University
Country United States of America 
Sector Academic/University 
PI Contribution Experiment (Bath) vs path integral molecular dynamics (Stanford)
Collaborator Contribution Experiment (Bath) vs path integral molecular dynamics (Stanford)
Impact 1. Zeidler A, Salmon P S, Fischer H E, Neuefeind J C, Simonson J M, Lemmel H, Rauch H and Markland T E, "Oxygen as a site specific probe of the structure of water and oxide materials" 2011 Phys. Rev. Lett. 107 145501 2. Zeidler A, Salmon P S, Fischer H E, Neuefeind J C, Simonson J M, Lemmel H, Rauch H and Markland T E, "Reply to the Comment by Soper and Benmore" 2012 Phys. Rev. Lett. 108 259604 3. Zeidler A, Salmon P S, Fischer H E, Markland T E, Neuefeind J C and Simonson J M, "Isotope effects in water as investigated by using neutron diffraction and path integral molecular dynamics" 2012 J. Phys.: Condens. Matter 24 284126
Start Year 2010
 
Description Trinity College Dublin 
Organisation Queen's University of Belfast
Department Trinity College Dublin
Country Ireland, Republic of 
Sector Academic/University 
PI Contribution Experiment (Bath) versus molecular dynamics simulations (Dublin)
Collaborator Contribution Experiment (Bath) versus molecular dynamics simulations (Dublin)
Impact 1. Salmon P S, Drewitt J W E, Whittaker D A J, Zeidler A, Wezka K, Bull C L, Tucker M G, Wilding M C, Guthrie M and Marrocchelli D, "Density-driven structural transformations in network forming glasses: A high-pressure neutron diffraction study of GeO2 glass up to 17.5 GPa" 2012 J. Phys.: Condens. Matter 24 415102 2. Wezka K, Salmon P S, Zeidler A, Whittaker D A J, Drewitt J W E, Klotz S, Fischer H E and Marrocchelli D, "Mechanisms of network collapse in GeO2 glass: High-pressure neutron diffraction with isotope substitution as arbitrator of competing models" 2012 J. Phys.: Condens. Matter 24 502101
Start Year 2010
 
Description University of Bristol 
Organisation University of Bristol
Country United Kingdom of Great Britain & Northern Ireland (UK) 
Sector Academic/University 
PI Contribution Complementary experimental and computational skills
Collaborator Contribution Complementary experimental and computational skills
Impact 1. Hutchinson H J, Nye J F and Salmon P S, "The classification of isotropic points in stress fields" 1983 J. Struct. Mech. 11 371-381. 2. Salmon P S, "The dynamics of water molecules in ionic solution: I. The application of quasi-elastic neutron scattering to the study of translational diffusive proton motion" 1987 J. Phys. C: Solid State Phys. 20 1573-1587. 3. Salmon P S, Howells W S and Mills R, "The dynamics of water molecules in ionic solution: II. Quasi-elastic neutron scattering and tracer diffusion studies of the proton and ion dynamics in concentrated Ni2+, Cu2+ and Nd3+ aqueous solutions" 1987 J. Phys. C: Solid State Phys. 20 5727-5747. 4. Enderby J E, Cummings S, Herdman G J, Neilson G W, Salmon P S and Skipper N, "Diffraction and the study of aqua ions" 1987 J. Phys. Chem. 91 5851-5858 5. Salmon P S, Neilson G W and Enderby J E, "The structure of Cu2+ aqueous solutions" 1988 J. Phys. C: Solid State Phys. 21 1335-1349. 6. Powell D H, Barnes A C, Enderby J E, Neilson G W and Salmon P S, "The hydration structure around chloride ions in aqueous solution" 1988 Faraday Discuss. Chem. Soc. 85 137-146. 7. Salmon P S, Herdman G J, Lindgren J, Read M C and Sandström M, "An incoherent quasi-elastic neutron scattering study on the dynamics of aqueous Cr3+ perchlorate solutions" 1989 J. Phys: Condens. Matter 1 3459-3468. 8. Salmon P S and Neilson G W, "The coordination of Cu(II) in a concentrated copper nitrate solution" 1989 J. Phys: Condens. Matter 1 5291-5295. 9. Salmon P S and Neilson G W, "The coordination of Cu(II) in a concentrated copper nitrate solution" 1989 J. Phys: Condens. Matter 1 5291-5295. 10. Herdman G J and Salmon P S, "Dynamics of water- protons in concentrated Ga3+, Al3+, Fe3+ and Dy3+ Aqueous Solutions: A study using incoherent quasi-elastic neutron scattering" 1991 J. Am. Chem. Soc. 113 2930-2939. 11. Barnes A C, Lague S B, Salmon P S and Fisher H E, "A determination of the structure of liquid Ag2Se using neutron diffraction and isotopic substitution" 1997 J. Phys.: Condens. Matter 9 6159-6173. 12. van der Aart S A, Verkerk P, Barnes A C, Salmon P S, Winter R, Fischer H, de Graaf L A and van der Lugt W, "Structure in liquid KTl investigated by means of neutron diffraction using 205Tl isotope substitution" 1997 Physica B 241-243 961-963. 13. Martin R A, Salmon P S, Barnes A C and Cuello G J, "Structure of molten TbCl3 measured by using neutron diffraction" 2002 J. Phys.: Condens. Matter 14 L703-L707 14. Fischer H E, Salmon P S and Barnes A C, "La diffraction des neutrons et des rayons-x pour l'etude structurale des liquids et des verres" 2003 J. Phys. IV France 103 359-390. 15. Barnes A C, Fischer H E and Salmon P S, "La structure des systèmes désordonnés et sa mesure par diffraction" 2003 J. Phys. IV France 111 59-96. 16. Salmon P S, Martin R A, Mason P E and Cuello G J, "Topological versus chemical ordering in network glasses at intermediate and extended length scales" 2005 Nature 435 75-78. 17. Fischer H E, Barnes, A C and Salmon P S, "Neutron and x-ray diffraction studies of liquids and glasses" 2006 Reports on Progress in Physics 69 233-299. 18. Salmon P S, Barnes A C, Martin R A and Cuello G J, "Structure of glassy GeO2" 2007 J. Phys.: Condens. Matter 19 415110 19. Skinner L B, Barnes A C, Salmon P S and Crichton W A, "Phase separation, crystallization and polyamorphism in the Y2O3-Al2O3 system" 2008 J. Phys.: Condens. Matter 20 205103 20. Zeidler A, Drewitt J W E, Salmon P S, Barnes A C, Crichton W A, Klotz S, Fischer H E, Benmore C J, Ramos S and Hannon A C, "Establishing the structure of GeS2 at high pressures and temperatures: a combined approach using x-ray and neutron diffraction" 2009 J. Phys.: Condens. Matter 21 474217 21. Barnes A C, Skinner L B, Salmon P S, Bytchkov A, Pozdnyakova I, Farmer T O and Fischer H E "The liquid-liquid phase transition in supercooled yttria-alumina" 2009 Phys. Rev. Lett. 103 225702 22. Drewitt J W E, Salmon P S, Barnes A C, Klotz S, Fischer H E and Crichton W A, "Structure of GeO2 glass at pressures up to 8.6 GPa" 2010 Phys. Rev. B 81 014202 23. Barnes A C, Skinner L B, Salmon P S, Bytchkov A, Pozdnyakova I, Farmer T O and Fischer H E, "Reply to the Comment by Greaves et al." 2011 Phys. Rev. Lett. 106 119602 24. Wezka K, Zeidler A, Salmon P S, Kidkhunthod P, Barnes A C and Fischer H E, "Structure of praseodymium and neodymium gallate glasses" 2011 J. Non-Cryst. Solids 357 2511-2515. 25. Skinner L B, Barnes A C, Salmon P S, Fischer H E, Drewitt J W E and Honkimäki V, "Structure and triclustering in Ba-Al-O glass" 2012 Phys. Rev. B 85 064201 26. Skinner L B, Barnes A C, Salmon P S, Hennet L, Fischer H E, Benmore C J, Kohara S, Weber J K R, Bytchkov A, Wilding M C, Parise J B, Farmer T O, Pozdnyakova I, Tumber S K and Ohara K. "Joint diffraction and modeling approach to the structure of liquid alumina" 2013 Phys. Rev. B 87 024201
Start Year 2006
 
Description University of Edinburgh - Drewitt 
Organisation University of Edinburgh
Country United Kingdom of Great Britain & Northern Ireland (UK) 
Sector Academic/University 
PI Contribution Neutron diffraction expertise
Collaborator Contribution Levitation and high pressure expertise
Impact Two papers in PRL and other publications
Start Year 2011
 
Description University of Oxford - Wilson 
Organisation University of Oxford
Country United Kingdom of Great Britain & Northern Ireland (UK) 
Sector Academic/University 
PI Contribution Experiment (Bath) versus computer simulation (Oxford)
Collaborator Contribution Experiment (Bath) versus computer simulation (Oxford)
Impact 1. Hutchinson F, Rowley A J, Walters M K, Wilson M, Madden P A, Wasse J C and Salmon P S, "Structure of molten MCl3 systems from a polarizable ion simulation model" 1999 J. Chem. Phys. 111 2028 - 2037. 2. Wilson M and Salmon P S, "Network Topology and the Fragility of Tetrahedral Glass-Forming Liquids" 2009 Phys. Rev. Lett. 103 157801 3. Zeidler A, Wezka K, Rowlands R F, Whittaker D A J, Salmon P S, Polidori A, Drewitt J W E, Klotz S, Fischer H E, Wilding M C, Bull C L, Tucker M G and Wilson M, "High-pressure transformation of SiO2 glass from a tetrahedral to an octahedral network: A joint approach using neutron diffraction and molecular dynamics." 2014 Phys. Rev. Lett. 113 135501
Start Year 2006
 
Description University of Warwick 
Organisation University of Warwick
Country United Kingdom of Great Britain & Northern Ireland (UK) 
Sector Academic/University 
PI Contribution Joint work on the structure of materials using diffraction (Bath) and NMR (Warwick)
Collaborator Contribution Personnel and equipment
Impact Martin R A, Salmon P S, Carroll D L, Smith M E and Hannon A C, "Structure and thermal properties of yttrium alumino-phosphate glasses" 2008 J. Phys.: Condens. Matter 20 115204
Start Year 2006
 
Description University of Yamagata 
Organisation University of Yamagata
Country Japan 
Sector Academic/University 
PI Contribution Complementary experimental skills. Professor Usuki spent a 1 year long sabbatical in Bath.
Collaborator Contribution Complementary experimental skills. Professor Usuki spent a 1 year long sabbatical in Bath.
Impact 1. Zeidler A, Salmon P S, Martin R A, Usuki T, Mason P E and Cuello G J, "Structure of liquid and glassy ZnCl2" 2010 Phys. Rev. B 82 104208 2. Chirawatkul P, Zeidler A, Salmon P S, Takeda S, Kawakita Y, Usuki T and Fischer H E, "Structure of eutectic liquids in the Au-Si, Au-Ge and Ag-Ge binary systems by neutron diffraction" 2011 Phys. Rev. B 83 014203 3. Zeidler A, Chirawatkul P, Salmon P S, Usuki T, Kohara S, Fischer H E and Howells W S, "Structure of the network glass-former ZnCl2: From the boiling point to the glass" 2014 J. Non-Cryst. Solids (in press).
 
Description Vienna University of Technology 
Organisation Vienna University of Technology
Country Austria, Republic of 
Sector Academic/University 
PI Contribution Complemenarty experimental skills
Collaborator Contribution Complemenarty experimental skills
Impact 1. Zeidler A, Salmon P S, Fischer H E, Neuefeind J C, Simonson J M, Lemmel H, Rauch H and Markland T E, "Oxygen as a site specific probe of the structure of water and oxide materials" 2011 Phys. Rev. Lett. 107 145501 2. Zeidler A, Salmon P S, Fischer H E, Neuefeind J C, Simonson J M, Lemmel H, Rauch H and Markland T E, "Reply to the Comment by Soper and Benmore" 2012 Phys. Rev. Lett. 108 259604 3. Fischer H E, Simonson J M, Neuefeind J, Lemmel H, Rauch H, Zeidler A and Salmon P S, "The bound coherent neutron scattering lengths of the oxygen isotopes" 2012 J. Phys.: Condens. Matter 24, 505105
Start Year 2007
 
Description Advanced Photon Source, Argonne National Laboratory (USA) 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Talk and discussions on future directions fro x-ray diffraction at the APS
Year(s) Of Engagement Activity 2015
 
Description Analysis of Diffraction Data in Real Space - ADD2013: Talk at the Training School, Institut Laue-Langevin, Grenoble, France (2013) 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Postgraduate students
Results and Impact Talk led to discussions with postgraduate students

PhD students were better informed
Year(s) Of Engagement Activity 2013
 
Description CECAM The role of local structure in dynamical arrest, Mainz, Germany 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Making links between hard and soft matter
Year(s) Of Engagement Activity 2015
 
Description Chair of session at the European Spallation Source (ESS) Science Symposium on Neutron Scattering at Extreme Conditions, CSEC, University of Edinburgh (2013) 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Other academic audiences (collaborators, peers etc.)
Results and Impact Stimulate discussion

An extreme conditions beam line may be built at the ESS
Year(s) Of Engagement Activity 2013
 
Description Corning Incorporated Sullivan Park Campus, Painted Post (USA), Invited talk 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Industry/Business
Results and Impact Visit and talk to at the R&D division of an internationally leading glass manufacturer
Year(s) Of Engagement Activity 2015
 
Description EPSRC Physical Sciences Physics/Materials Meeting 
Form Of Engagement Activity A formal working group, expert panel or dialogue
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Policymakers/politicians
Results and Impact Prioritisation of EPSRC grant proposals
Year(s) Of Engagement Activity 2015
 
Description EPSRC roving panel member for Physics, Chemistry and Materials (2012) 
Form Of Engagement Activity A formal working group, expert panel or dialogue
Part Of Official Scheme? Yes
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact Feedback to EPSRC about decision making processes

Grants were awarded
Year(s) Of Engagement Activity 2012
 
Description ILL General Seminar, Institut Laue-Langevin, Grenoble, France) (2012) 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Other academic audiences (collaborators, peers etc.)
Results and Impact The talk led to interesting and helpful discuissions

The talk helped to spotlight our cutting-edge research at the ILL
Year(s) Of Engagement Activity 2012
 
Description ISIS User Committee, RAL, UK (2010 - 2016) 
Form Of Engagement Activity A formal working group, expert panel or dialogue
Part Of Official Scheme? Yes
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Feedback to ISIS management from its User Goups

Facilities improved for ISIS users
Year(s) Of Engagement Activity 2010,2011,2012,2013,2014
 
Description Institut de Théorie des Phénomènes Physiques, École Polytechnique Fédérale de Lausanne, Switzerland (2012) 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Other academic audiences (collaborators, peers etc.)
Results and Impact Interesting and rewarding discussions followed

Helped to foster future collaboration
Year(s) Of Engagement Activity 2012
 
Description Lecture entitled 'What is glass?' to the general public at the BRLSI (2014) 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach Local
Primary Audience Public/other audiences
Results and Impact Talk sparked questions and discussions afterwards

The public was better informed about the science that we do
Year(s) Of Engagement Activity 2014
 
Description Materials Development, Inc., Arlington Heights, IL (USA) 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Discussions on the future directions of levitation methods
Year(s) Of Engagement Activity 2015
 
Description Organisation of the Liquids and Complex Fluids Winter School "Solutions in the Snow" (2006 - 2012) 
Form Of Engagement Activity A formal working group, expert panel or dialogue
Part Of Official Scheme? Yes
Geographic Reach National
Primary Audience Postgraduate students
Results and Impact Postgraduate students were given a broader education

Postgraduate students were better informed and better networked
Year(s) Of Engagement Activity 2006,2007,2008,2009,2010
 
Description Scientific Committee, 7th International Discussion Meeting on Relaxations in Complex Systems, Barcelona, Spain (2012-2013) 
Form Of Engagement Activity A formal working group, expert panel or dialogue
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Other academic audiences (collaborators, peers etc.)
Results and Impact Organisation of a symposium

Selected papers will appear as a special issue of the Journal of Non-Crystalline Solids
Year(s) Of Engagement Activity 2012,2013
 
Description Seminar at the Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic (2013) 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Other academic audiences (collaborators, peers etc.)
Results and Impact The talk led to lively discussions

Possibility of future work in biochemistry area
Year(s) Of Engagement Activity 2013
 
Description Séminaire, Institut de Mineralogie, de Physique des Materiaux et de Cosmochimie (IMPMC), Université Pierre et Marie Curie, Paris, France (2014) 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Other academic audiences (collaborators, peers etc.)
Results and Impact Talk led to some interesting questions

A publications has already resulted
Year(s) Of Engagement Activity 2014
 
Description XIV International Conference on the Physics of Non Crystalline Solids, Niagara Falls (USA) 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact Invited talk at an internationally leading conference
Year(s) Of Engagement Activity 2015