Leading UK Science facilities announce new five-year collaboration

A new five-year agreement to facilitate collaboration between two leading UK Science institutions has been announced.

Diamond Light Source, the UK’s synchrotron light source and the National Physical Laboratory (NPL) aim to bring the two organisations closer together to allow students to learn about each other’s science portfolio. This agreement will drive a closer collaboration through the formation of a Steering Committee that will help shape curriculum content to meet students’ needs.

Commenting on the signing of the Memorandum of Understanding (MoU), Chief Scientist at NPL, DR JT Janssen;

Our goal is to combine our expertise and facilities to accomplish momentous scientific impact.  We want to develop common specialised knowledge and increase the effective use of our facilities; as well as increasing cooperation and mutual support among our students and staff.

In addition to joint meetings, networking and training, the MoU will facilitate the identification of collaborative research and skills development opportunities of mutual or individual interest through a dedicated Steering Committee with representatives from both organisations.

Prof. Gianluigi Botton, Chief Executive Officer at Diamond Light Source adds;

This agreement is going to create great opportunities for new science and for both organisations’ scientists and students.  A key objective is to facilitate collaboration around student engagement activities, including using our respective expertise to accomplish valuable scientific training for each other’s student cohorts

Read more on Diamond website

Image: From L to R: (Front Row) CEOs Dr Peter Thompson (NPL) and Prof. Gianluigi Botton (Diamond), and (Second Row) Dr Richard Burguete Postgraduate Institute Director (NPL), Dr JT Janssen, Chief Scientist (NPL), Isabelle Boscaro-Clark, Head of Impact, Communications and Engagement (Diamond), Dr Adrian Mancuso, Physical Sciences Director (Diamond), and Prof. Sir Dave Stuart FRS, Life Sciences Director (Diamond)

Users of ALBA create the most porous zeolite to date

A team from the Materials Science Institute of Madrid -CSIC) leads an international research that synthetized a zeolite with extra-large pores by expanding and connecting silica chains. This material has applications in water and gas decontamination and catalysis. Experiments carried out at the MSPD beamline of the ALBA Synchrotron had a key role in determining the structure of the zeolite.

A team from the Materials Science Institute of Madrid (ICMM-CSIC) leads an international research that has succeeded in creating the world’s most porous zeolite. The study, published yesterday in the journal Nature, opens up new avenues for water and gas decontamination and “demonstrates that it is possible to make more porous materials that are stable,” says Miguel Camblor, researcher at the ICMM-CSIC and lead author of the study.

Zeolites are microporous crystalline silicates. These are materials with applications in decontamination, catalysis, gas adsorption, and cation exchange. For decades, obtaining stable zeolites with greater porosity and, therefore, capacity for absorption and processing of large molecules, has been an important scientific goal. However, this is not a simple challenge: “until recently, it challenged our synthetic capacity,” indicates Camblor.

The team already developed in recent years two zeolites with “extra-large” pores in the three spatial directions that also exhibited high stability. On this occasion, they have created a stable aluminosilicate zeolite with extra-large pores open through rings of more than 12 tetrahedra, capable of processing even larger molecules.

“The structure of this zeolite presents unprecedented characteristics and demonstrates that with different methods, things that were believed impossible can be found, such as this world record in porosity,” highlights Camblor, who indicates that they have already used the zeolite for the absorption of volatile organic compounds.

To determine the structure of the zeolite, the research team has combined electron diffraction techniques and powder X-ray diffraction, the latter available at the MSPD beamline of the ALBA Synchrotron. The X-rays produced at the ALBA’s accelerator provided crucial information on the position of the atoms in the zeolite structure.

Read more on the ALBA website

Image: Structure of the zeolite called ZEO-5

Credit: Nature

The Long Read: The AI revolution

For what was once a purely technical subject, machine learning has hardly been out of the news. Beginning in late 2022, the world has had to come to terms with the impact of a number of groundbreaking, generative artificial-intelligence (AI) models – notably the ChatGPT chatbot by the US company OpenAI, and text-to-image systems such as Midjourney, developed by the US company of the same name. Everyday conversations cannot avoid the debate over whether we are living amid a fantastic new industrial revolution – or the end of civilisation as we know it.

All this popular controversy can detract from a quieter – but no less important – machine-learning evolution taking place in the scientific realm. Arguably this began in the 1990s, with greater computing power and the development of so-called neural networks, which attempt to mimic the wiring of the brain, and which helped to popularise AI as an overarching term for machines that ape human thinking. The real acceleration, however, has taken place in the past decade or so, thanks to the storage and processing of “big data”, and experiments with layered neural networks – what has come to be called deep learning.

Of this revolution, synchrotron users – who are among the world’s largest producers of scientific data – stand to be great beneficiaries. Machine learning has the potential to streamline experiments, reduce data volumes, speed up data analysis and obtain results that would otherwise be beyond human insight. “We’ve been amazed in many ways by the results we could produce,” says Linus Pithan, a materials and data scientist based at the German synchrotron DESY, who ran an autonomous crystal-growth experiment at the ESRF’s ID10 beamline with colleagues last year. “The quality of the online data analysis was astonishing.”

Formerly a member of the ESRF’s Beamline Control Unit where he helped develop the new BLISS beamline control system, Pithan is well placed to test the potential of machine learning in synchrotron science. The flexibility of BLISS was necessary for him and his colleagues to integrate their own deep-learning algorithm, which they had trained beforehand to reconstruct scattering-length density (SLD) profiles from the X-ray reflectivity of molecular thin films. Unlike the forwards operation – calculating a reflectivity curve from an SLD profile – this inverse problem can be painfully tedious to solve even for an experienced analyst: the data are inherently ambiguous, because they do not include the phase of the scattered X-rays. Indeed, it is a demanding task for a machine too, which is why at the beamline Pithan’s group made use of an online service known as VISA to harness the ESRF’s central computer system.

The success of the automation was immediately apparent (Figure 1). From the reflectivity measurements, the deep-learning algorithm could output SLD profiles and thin-film properties such as layer thickness and surface roughness in real time, and thereby stop in-situ molecular beam deposition at any desired sample thickness between 80 Å and 640 Å, with an average accuracy of 2 Å [1]. “The machine-learning model was able to ‘predict’ results within milliseconds,” says Pithan. “In a way, we transferred the time that is traditionally needed for the manual fitting process to the point before the actual experiment where we trained the model. So by the time of the experiment, were able to get results instantaneously.”

The ESRF has been anticipating a rise in machine learning for many years. It forms part of the data strategy, and is one of the reasons for the ESRF’s engagement in various European projects that support the trend: PaNOSC, which is a cloud service to host publicly funded photon and neutron research data; DAPHNE, which aims to make photon and neutron data accord to “FAIR” (reusable) principles; and most recently OSCARS, which promotes European open science. Vincent Favre-Nicolin, the head of the ESRF algorithms and scientific data analysis group, is wary of claiming that machine learning is always a “magical” solution, and points out the toll it can take on computing resources. “But for some areas it makes a real difference,” he says.

Read more on ESRF website

Image: Painstaking manual segmentation of ESRF tomographic data reveals the vasculature of a human kidney for the Human Organ Atlas project. It also provides valuable training data for deep-learning algorithms that will be able to do the same job much faster 

Findings pave way for longer-lasting solid-state batteries

Lithium-ion batteries contain flammable materials that could pose a safety risk under certain conditions. Dr. Yaser Abu-Lebdeh is one of the researchers using the Canadian Light Source (CLS) at the University of Saskatchewan to develop a safer alternative: solid-state batteries.

Solid-state batteries replace the flammable liquid electrolyte in conventional batteries with a solid ceramic-based material to pass charge through the battery.

“These oxide-based ceramics or ceramic oxides, are intrinsically safe, meaning they’re not volatile, they’re not flammable,” says Dr. Abu-Lebdeh, a team leader with the National Research Council of Canada’s battery materials innovation team.

The batteries have another major advantage: they enable the use of lithium metal and hence are able to hold a great deal of charge in a small space, making them powerful energy storage devices.

As with any new technology, there have been hiccups in the development.

“We’ve run into a problem where the batteries lose their capacity very quickly, meaning they die out very, very quickly,” says Dr. Abu-Lebdeh.

Standard lab techniques couldn’t pinpoint what was causing the early failure, so Dr. Abu-Lebdeh turned to his longtime collaborators at the CLS. Using synchrotron light — which is particularly well suited for studying batteries — they were able to identify the root causes of the battery’s premature failure: a combination of tiny structural changes and chemical changes happening in two different parts of the battery.

Dr. Abu-Lebdeh says the new insights will help them improve the mix of solid and liquid parts and how these batteries are put together. They published the results in the Journal of Physical Chemistry.

Read more on CLS website

Shedding Light on Sea Creatures’ Secrets

A nanoscale look at how shells and coral form revealed a mineral that, until now, had never been seen in living organisms – and indicates that biomineralization is more complex than we imagined.

Exactly how does coral make its skeleton, a sea urchin grow a spine, or an abalone form the mother-of-pearl in its shell? A new study at the Advanced Light Source at the Department of Energy’s Lawrence Berkeley National Laboratory (Berkeley Lab) revealed that this process of biomineralization, which sea creatures use to lock carbon away in their bodies, is more complex and diverse than previously thought.

Researchers studied the edges of samples from coral, sea urchin, and mollusks, where temporary building blocks known as “mineral precursors” start to form the new shell or skeleton. There, they found a surprise: Corals and mollusks produced a mineral precursor that had never been observed before in living organisms, and had only recently been created synthetically.

They also found variety in the types of building blocks present. Scientists expected to see “amorphous” precursors, minerals that lack a repeating atomic structure. They did – but they also found “crystalline” precursors, minerals that are more structured and orderly. The research is published in the journal Nature Communications.

Read more on the ALS website

Credit: LazingBee/iStock

 SLS 2.0 upgrade 

“The philosophy of the SLS has always been to explore novel techniques and use cutting-edge hardware, which has resulted in breakthroughs in areas such as imaging, X-ray spectroscopies, macro-molecular crystallography and detector technologies,” write Phil Willmott and Hans Braun in an article about the SLS 2.0 upgrade in Synchrotron Radiation News this month.

This philosophy of innovation underpins the comprehensive upgrade of the storage ring and X-ray sources of the Swiss Light Source SLS, which is currently underway. 

Better behaved electrons mean brighter X-ray light

The storage ring is the part of the facility where electrons zip around close to the speed of light, generating X-ray light as they go round the bends. The main parameter used to describe the quality of the X-ray light produced is brilliance, which effectively indicates how bright, compact, and well collimated the light is. 

For a more mathematical definition, brilliance is defined as the photon flux divided by the emittance – a parameter that describes how collimated the electron beam is and its cross-section in the storage ring. To maximise brilliance, the electron emittance should be as low as possible. 

This is the principle of a diffraction limited storage ring (DLSR): reducing electron emittance to the point that it is as small or smaller than that of the X-ray photons. The emittance of the X-ray photons is governed by fundamental diffraction phenomena. The performance of the synchrotron is thus limited by diffraction and no longer by the properties of the electron beam. 

The primary way in which this is achieved for SLS 2.0 is with an innovative arrangement of magnets for bending and focusing the electrons. By using more, smaller magnets, these smooth out the curves of the electrons round the storage ring, while keeping them close together. 

The new SLS 2.0 storage ring will allow the electron emittance to drop by a factor of thirty-five. With innovative new undulators enabling additional so-called radiation damping, the drop in electron emittance should exceed a factor of forty.

Read more on PSI website

Image: Work to install the new storage ring is already underway at the SLS. (Image: Paul Scherrer Institute

Credit: Markus Fischer

Discovery sets stage for vaccine against gastric cancer, ulcers

H. pylori is one of the most common disease-causing bacteria. More than half of the world’s population have the bacteria in their body; and while in Canada overall prevalence of H. pylori is between 20% and 30%, some groups – including Indigenous communities – have higher rates.

Using the Canadian Light Source at the University of Saskatchewan (USask) researchers from Quebec’s National Institute of Scientific Research (INRS) have for the first time solved the structure of the protein that plays a key role in helping H. pylori stick to the lining of our stomach. Their research paves the way for developing a vaccine against the infection.

It is H. pylori’s ability to bind to the inside of the stomach that helps it survive and cause health problems. The pathogen is responsible for nearly all gastric cancers and peptic ulcers. Around one in 10 people who carry the common pathogen will develop an ulcer; almost 3% will get stomach cancer.

Professor Charles Calmettes, a biochemist at INRS, says that being able to see the structure of the protein HpaA helps scientists better understand H. pylori’s “stickiness” and why our body reacts by causing certain immune cells to cause inflammation. His team’s findings were published in the journal mBio.

Read more on CLS website

Fertilisation under the X-ray beam

After the egg has been fertilized by a sperm, the surrounding egg coat tightens, mechanically preventing the entry of additional sperm and the ensuing death of the embryo. A team from the Karolinska Institutet has now gained this new insight through measurements at the X-ray light sources BESSY II, DLS and ESRF. 

Fertilization in mammals begins when a sperm attaches to the egg coat, a filamentous extracellular envelope that sperm must penetrate in order to fuse with the egg. Now an international team of researchers has mapped in detail the structure and function of the protein ZP2, an egg coat filament component that plays a key role in regulating how egg and sperm interact with each other at fertilization.

“It was known that ZP2 is cleaved after the first sperm has entered the egg, and we explain how this event makes the egg coat harder and impermeable to other sperm,” says Luca Jovine, Professor at the Department of Biosciences and Nutrition, Karolinska Institutet, who led the study. “This prevents polyspermy – the fusion of multiple sperm with a single egg – which is a fatal condition for the embryo.”

The changes in the egg coat after fertilization are also crucial to female fertility by ensuring the protection of the developing embryo until this implants in the uterus. The new knowledge may therefore have implications for the development of non-hormonal contraceptives that interfere with the formation of the egg coat. Moreover, the study explains egg coat-associated forms of female infertility. 

“Mutations in the genes encoding egg coat proteins can cause female infertility, and more and more such mutations are being discovered,” explains Luca Jovine. “We hope that our study will contribute to the diagnosis of female infertility and, possibly, the prevention of unwanted pregnancies.”

Read more on HZB website

The special role of magnetic Ni ions in the electronic structure

Researcher from the Institute of Physics in Zagreb, in collaboration with scientists from AGH University of Krakow, Solaris synchrotron, Jagiellonian University, University of Zagreb, Institute of Nuclear Physics PN, and TU Wien, revealed the electronic structure of nickel intercalated 2H-NbS2. The collaboration between experiment and theory provided insight into the special role of magnetic Ni ions in the electronic structure. The measured spectra and theoretical analysis indicate zero algebraic sum of hybridization integrals of relevant Ni orbitals and the conducting planes of the host material.  

Two-dimensional magnetic materials are of great interest from the fundamental point of view and for applications. In particular, the magnetic sublayers, introduced by intercalation into the van der Waals gaps of the host transition metal dichalcogenides, are known to produce various magnetic states depending on the choice of magnetic intercalates, with some being tunable by pressure and doping. The magnetic intercalates strongly modify the electronic coupling between layers of the host compound. Understanding the origins of such variability, starting from the underlying electronic structure, is a significant challenge. By using angle-resolved photoelectron spectroscopy (ARPES) with various photon energies and ab initio electronic structure calculations, the study revealed the electronic structure of Ni1/3NbS2.

Read more on SOLARIS website

Image: Fig 1. Schematic image of strong spin-selective hybridization between NbS2 layers provided by intercalated magnetic ions (Ni, Co). The symmetries of dominant bridging orbitals in (a) Ni1/3NbS2 and (b) Co1/3NbS2. (c) The calculated band structures that show the type of magnetic ordering strongly affect the electronic structure. (d) The Fermi surface observed by ARPES. The magnetic fluctuations at bridging sites are prone to produce a strong electron correlation effect at the Fermi level (shallow electron pockets indicated by red arrows), which is inaccessible by DFT+U calculations.

Credit: Yuki Utsumi Boucher

“Stripy” algae tell us more about possibilities in material design

As we celebrate the 155th anniversary of the periodic table this March, we mark the milestone during British Science Week 2024 by shedding light on the chemical building blocks of an amazing sea creature.  

The light generated by Diamond Light Source is one of the most powerful in the world, able to detail almost all the elements on the periodic table at a molecular level. And a recent discovery about tiny organisms means big news for biogeochemists.  

The ability to see the elemental composition of microorganisms is only possible with the brilliant X-ray light available at synchrotrons like Diamond. When the elements were classified 155 years ago, with creation of the periodic table, it would have been impossible to imagine today’s groundbreaking technology. Being able to pinpoint the location of almost any element means scientists can discover things like the miniscule stripes of calcium and strontium on a sea-dwelling organism.  

And why is this level of detail important? By working at this atomic scale, learning how even the tiniest creature are formed, scientists can translate this knowledge to bigger things, like better medicines, cures for viruses, and advanced engineering possibilities.  

In a paper from the Environmental Science: Processes and Impacts of the Royal Society of Chemistry, users from Diamond Light Source, University of Sheffield and the Institute of Environmental Science and Technology (ICTA) at Universitat Autònoma de Barcelona studied marine algae on our I14 beamline. This study was part of a year in industry student project.  

With the high-resolution X-ray techniques, the scientists have learnt some interesting details about coccolithophores, which is a type of marine plankton.  

These organisms create their own outer shells called coccoliths, which are made up of calcium carbonate (the same material as chalk) as well as some other minor elements like strontium. The researchers created a high-resolution 3D image of the surprisingly stripy chemical makeup of these structures leading to new findings about how they are formed.  

This single-celled algae can be found in the sunlight zone of the ocean. They use chlorophyll to capture the sunlight and use photosynthesis to turn it into energy. This means they consume carbon dioxide and release oxygen.  

Coccolithophores are ecologically important and hugely contribute to the marine biological pump, the mechanism that takes carbon away from the atmosphere and the land, transporting it to the ocean interior and seafloor sediments.  

Read more on Diamond website  

Image : False colour scanning electron micrographs of different coccolithophore species

New imaging technique for deeper insights in breast cancer metastasis

A collaborative effort between researchers from DESY, the University Medical Center Hamburg-Eppendorf (UKE), Chalmers University in Sweden and the Paul Scherrer Institute in Switzerland has yielded a cutting-edge multimodal imaging approach to investigate breast cancer tissue. With the help of this technique, researchers can simultaneously extract information about the nanostructure of the tumor and quantify the chemical elements present in a millimeter-scale sample in all three dimensions. A unique combination of research possibilities at PETRA III and new analysis methods enables this high level of detail. 

Breast cancer caused 685 000 deaths globally in 2020 according to the WHO. It is not life-threatening in its earliest form. But if the cancer cells are able to spread further in the tissue to nearby lymph nodes or important organs, this metastasis can be fatal. In a recent pilot study published in Nature Scientific Reports, the team applied this revolutionary imaging approach to a breast cancer sample. The results show how key molecules collectively influence the metastatic mechanism. This breakthrough paves the way for an in-depth investigation of breast cancer metastasis, promising novel therapeutic approaches and personalised treatment strategies, which could ultimately improve patients’ lives if recognized early enough.

Traditional experimental models often fall short, relying on 2D cell cultures or animal models that do not faithfully replicate the complex physiological patterns of human tumor environments. The multimodal imaging approach presented in this study represents a significant step forward by providing simultaneous nanoscale morphological and physiological information from real samples, thus giving researchers information about the shape and composition of real cancer tissue.

André Conceição, the first author and beamline scientist at the PETRA III SAXSMAT beamline P62, emphasises, “Although demonstrated for breast cancer, this approach’s versatility extends to other organs and diseases.”

The study opens avenues for further exploration of breast cancer metastasis and pre-metastatic niches (PMNs). Advanced X-ray multimodal tomography can generate complementary 3D maps for different breast cancer molecular subtypes. It holds the potential to contribute to the development of more targeted and effective strategies for diagnosis and treatment.

Read more on DESY website

Image: 3D vector field of the collagen direction and degree of orientation obtained by SAXS-Tensor-Tomography

Argonne rapid cross-facility data processing

As the volume of data generated by large-scale experiments continues to grow, the need for rapid data analysis capabilities is becoming increasingly critical to new discoveries. 

At the U.S. Department of Energy’s (DOE) Argonne National Laboratory, the co-location of the Argonne Leadership Computing Facility (ALCF) and the Advanced Photon Source (APS) provides an ideal proving ground for developing and testing methods to closely integrate supercomputers and experiments for near-real-time data analysis.

For over a decade, the ALCF and APS, both DOE Office of Science user facilities, have been collaborating to build the infrastructure for integrated ALCF-APS research, including work to develop workflow management tools and enable secure access to on-demand computing. In 2023, the team deployed a fully automated pipeline that uses ALCF resources to rapidly process data obtained from the X-ray experiments at the APS. 

To demonstrate the capabilities of the pipeline, Argonne researchers carried out a study focused on a technique called Laue microdiffraction, which is employed at the APS and other light sources to analyze materials with crystalline structures. The team used the ALCF’s Polaris supercomputer to reconstruct data obtained from an APS experiment, returning reconstructed scans to the APS within 15 minutes of them being sent to the ALCF.

The researchers detailed their efforts in their article “Demonstrating Cross-Facility Data Processing at Scale With Laue Microdiffraction,” which was recognized with the Best Paper Award at the 5th Annual Workshop on Extreme-Scale Experiment-in-the-Loop Computing (XLOOP 2023) at the Supercomputing 2023 (SC23) conference in November. Led by APS software engineer Michael Prince, the team includes Doğa Gürsoy, Dina Sheyfer, Ryan Chard, Benoit Côtê, Hannah Paraga, Barbara Frosik, Jon Tischler and Nicholas Schwarz.

Read more on Argonne website

Image: Argonne researchers Hannah Parraga (far right), Michael Prince (second from right) and Nicholas Schwarz (third from right) lead a demo at the SC23 conference on using integrated computing resources to accelerate discoveries at the Advanced Photon Source.

Credit: Argonne National Laboratory

Paganini’s “Il Cannone” sophisticated X-ray analysis at the ESRF

The European Synchrotron, the ESRF, played host to the most famous violin in the world: ‘Il Cannone’ violin, crafted in 1743 and played by the great virtuoso Niccolò Paganini. The Municipality of Genoa and the Premio Paganini teamed up with ESRF scientists to use the world’s brightest synchrotron to carry out X-ray analysis of the iconic violin.

The conservation of ancient violins of historical and cultural high interest, such as “Il Cannone”, Niccolò Paganini’s favourite violin, which ranks among the most important musical instruments in the history of Western music, requires constant monitoring of their state of health. The Municipality of Genoa in Italy and the Premio Paganini have developed a programme with the ESRF for an in-depth monitoring and analysis of the behaviour of the violin in different situations, in order to better preserve and understand this precious historical artefact. In this context, the Municipality of Genoa and its conservators have teamed up with ESRF scientists to define a measurement protocol and perform a unique experimental X-ray study – using non-destructive X-ray techniques – of the structural status of the wood and the bonding parts of the violin. Working day and night, they used a technique called multi-resolution propagation phase-contrast X-ray microtomography at the ESRF’s new BM18 beamline to scan the violin.

‘ll Cannone’ was built in 1743 by the great Cremonese luthier Bartolomeo Giuseppe Guarneri, also known as ‘del Gesù’. Paganini enjoyed an almost symbiotic relationship with what he called “my cannon violin” for its acoustic prowess. The ‘Cannone’ became an exceptional partner for the virtuosities of the musician, who developed new violin techniques by exploiting the instrument’s potential to the full. Niccolò Paganini left the ‘Cannone’ to his hometown, Genoa, “so that it may be perpetually preserved.” The violin has been kept in Palazzo Tursi, the seat of the Municipality of Genoa since 1851. The ‘Cannone’ is rarely played. Some famous violinists have performed with the ‘Cannone’ in concerts in Italy and abroad; however, playing the precious instrument remains a privilege reserved for the winner of Genoa’s biennial Premio Paganini International Violin Competition.

The technique applied at the ESRF has been widely used for palaeontology over the last two decades. This technique has reached a new level of sensitivity and resolution thanks to the ESRF’s new Extremely Brilliant Source, which, since its commissioning in August 2020, provides experimental performances at least 100 times better than before. Combined with the unique capabilities of the new BM18 beamline, it offers the unprecedented capability to reconstruct a 3D X-ray image of the complete violin at the wood cellular structure level, with the possibility to zoom in locally anywhere in the violin, down to the micrometric scale. As a result, the experiments carried out at the ESRF provide a full 3D vision of the conservation status of the violin, but also a super-precise representation of the details of the bold structure of “Il Cannone”, which possesses a uniquely powerful voice, and also full mapping of the previous interventions and reparations done in the past by lute makers.

Read more on ESRF website

Image: Close-up view of Paganini’s “Il Cannone” on the experimental station BM18 at the ESRF. 

Credit: ESRF/P. Jayet

Exploring Matter at or under Extreme Conditions at Diamond

We’re all familiar with ice – water frozen into its solid state, at or below 0°C at standard atmospheric pressure (1 atm, or 101.325 kPa). But this naturally occurring crystalline solid (officially known as ice Ih or ice one h) is just one of at least nineteen phases of ice, each with a different packing geometry. The less familiar phases (polymorphs) occur at different pressures and temperatures. The ice polymorphs have differing densities, crystalline structures, and proton ordering. These strange phases of ice are just one example of what happens to matter at extremely high pressures.

The physical and chemical properties of a material depend on its structure and the distances between its atoms. Pressure has far more of an effect on interatomic distances than temperature, so varying the pressure is a powerful tool for exploring the relationship between structure and properties. Fundamental insights can be used, for example, to inform the design of new materials or to help explain phenomena such as volcanic eruptions that originate from processes deep in the Earth. 

Further, the electronic structure of a material can be very different under pressure, giving rise to extraordinary effects. An insulator such as ice can become a metal or conductor (e.g. Ice XVII, or Superionic water), and metals can become insulators. E.g. Sodium, a pale grey, shiny metal transforms into a glass-like transparent insulator under pressure. Changing electron configurations at high pressure gives elements a different reactivity and chemistry, almost reinventing the periodic table.

Annette Kleppe, Principal Beamline Scientist on Diamond’s I15 beamline, said;

High-pressure devices are superbly suitable for tuning structural and electronic properties of materials. In fact, pressure can change the electronic properties so dramatically that it adds a whole new dimension to the periodic table. High-pressure, when combined with different experimental analysis techniques, is a powerful tool for understanding natural phenomena or designing novel materials, for example. High-pressure research topics range from low-temperature physics to high-temperature Earth and planetary science.

It’s no wonder researchers want to explore these extreme conditions, and Diamond has several facilities to accommodate them. I15 is our dedicated Extreme Conditions beamline, dedicated to X-ray powder diffraction experiments at extreme pressures and temperatures. Users can also carry out high-pressure experiments on beamline I18 (Microfocus Spectroscopy), I19 (Small Molecule Single Crystal Diffraction), and I22 (Small Angle Scattering and Diffraction). 

Dr Dominique Laniel from the University of Edinburgh said; 

Single crystal X-ray diffraction studies of organic molecular solids – the basic building blocks of life – have mostly been confined to pressures below 10 GPa. It is hypothesised that beyond that pressure (equivalent to 100,000 bar), the void space in these solids approaches zero, a turning point in the behaviour of molecular structures. Zero void space meaning that further compression is expected to change the intramolecular and intermolecular bonding interactions . A multidisciplinary team from the Centre for Science at Extreme Conditions at the University of Edinburgh set out to test this theory and push the boundary for high-pressure investigations on this type of molecular solid using the simple amino acid glycine.

Lewis Clough is a joint PhD student between Diamond and the University of Edinburgh. He worked with colleagues from Edinburgh, studying the behaviour of the alpha polymorph of glycine, which persists to at least 50 GPa. Using high-pressure single-crystal diffraction on I15, the team achieved the highest single-crystal pressure data set collected at Diamond on an organic material.

For the experiment, a tiny 50 μm-sized single crystal of α-glycine was loaded into a diamond anvil cell (DAC), a pocket-sized high-pressure apparatus, in which the crystal was compressed between the tips of two diamonds. Using an X-ray energy of 78 keV – significantly higher than standard for single crystal diffraction experiments – the team collected very high-quality data and solved the structure to the highest pressures of 51-52 GPa.

Read more on Diamond website

Image: Photograph of a single crystal of α-glycine compressed to 52.76 GPa in a diamond anvil cell. A section of the crystal structure determined at this pressure is overlaid on the crystal, showing the layers that increase in proximity upon compression, revealing a network of inter-layer hydrogen bonding interactions.

The future of BESSY

In autumn 2023, HZB celebrated 25 years of research at the BESSY II light source in Berlin-Adlershof. To continue offering scientists from all over the world the best research opportunities in the coming decades, it is important to have a vision for BESSY II. In addition, many light sources around the world are currently being modernised or even newly built to keep up with the latest research questions and contribute with state-of-the art research infrastructures.

The article “Material Discovery at BESSY” shows the relevance of BESSY light source for the research questions of the future. The HZB team describes the goals of the BESSY II+ upgrade programme. Among other things, the programme aims to expand operando techniques that are of great benefit in developing materials for the energy transition.

Read more on HZB website

Image: This is what the successor source BESSY III could look like in the future.

Credit: HZB

ANSTO’s Australian Synchrotron Goes Solar for a Greener Future

More than 3,200 solar panels have been installed across the rooftops of the Australian Nuclear Science and Technology Organisation’s (ANSTO) Australian Synchrotron in Clayton, offsetting enough power to light up the whole MCG for more than five years.

The panels, covering an area of nearly 6,600m², including the large and iconic circular roof of the main building that hosts the powerful particle accelerator, will save ANSTO over two million kWh per year while also reducing its carbon footprint by over 1,680 tonnes of CO2 per year.

Director for ANSTO’s Australian Synchrotron, Professor Michael James said the benefit of driving down operating costs is paralleled by ANSTO’s ongoing commitment to a greener future.

“This investment in renewable technology is just one way we can meet our own sustainability goals while also contributing to a cleaner and greener environment,” Prof. James said.

“Electricity is one of our largest operating costs, so our new solar plant will deliver substantial savings and also act as a buffer against increasing energy overheads in the future.

“The reduction in our carbon footprint is enough to offset the running of 367 family-sized cars each year.”

The installation of a 1,668 kWh system and inverter will supply part of the Australian Synchrotron’s total energy requirements and is expected to deliver savings of around $2 million over a five-year period to 2029.

“The saved running costs will be used to support operations as well as the expansion of our research capabilities and facilities,” Prof. James said.

“Going solar was a no-brainer. The size of our rooftops, paired with the ample, uninterrupted exposure to sunlight at our location within the Monash precinct, was a major incentive for us to become more energy efficient.

“While our science facility operates 24 hours per day, during daylight hours, the new solar plant provides a cyclical way to harness the power of light – from the sun to help power our facilities, that in turn, allows us to generate brilliant beams of synchrotron light that are more than a million times brighter than the light from the sun. 

“Some of those brilliant beams of synchrotron light are even used to undertake research into the next generation of solar cell technology.”

The solar panel installation, completed over a five-month period, covers the rooftops of the main Australian Synchrotron building, the Australian Synchrotron Guesthouse, and the Environmentally Controlled Storage Facility.

Read more on ANSTO website