Scientific Highlights NES

The European aviation sector stands at a pivotal juncture in its quest to achieve net-zero climate impacts. Focusing on flight CO₂ emissions overlooks up to 80% of the sector's climate repercussions.

Our research delves deep into the role of electricity-based synthetic jet fuels and direct air carbon capture and storage (DACCS) as potential game-changers. These solutions promise climate-neutral aviation, but there's a catch: the relentless rise in air traffic. Relying solely on renewables-derived synthetic fuels may strain both economic and natural resources. On the flip side, offsetting fossil jet fuel impacts via DACCS poses its own set of challenges. Our findings underscore one clear message: for a genuinely climate-neutral European aviation, we must reconsider the scale of air traffic.

The objective of this project was to determine the contribution from a variety of obstacles to moving dislocations to the nano-indentation stress necessary to initiate plastic flow. The obstacles are characterized by different length scales. Among these characteristic lengths, there are those associated with the material microstructure such as grain size, dislocations density, irradiation-induced defects, and those related to the size of the plastic zone beneath the indenter, or equivalently to the size of the indent. Thus, we can classify the size effects into two categories: structural size effect and indentation size effect (ISE). The underlying idea is to quantify and separate these two effects on the unirradiated material first to be able to properly isolate the contribution of the irradiation defect on the measured hardness from the tests on irradiated materials.

Chalk River Unidentified Deposits (CRUD) are dissolved and suspended solids, product of the corrosion of structural elements in water circuits of nuclear reactors.  

The chemical composition of CRUD is variable as it depends on the composition of the reactor’s structural material, as well as the types of refueling cycles.  Recent internal investigations have found unexpected but significant Si-amount in CRUD. The chemical composition of CRUD holds key information for an improved understanding of CRUD formation and possible impact in fuel reliability and contamination prevention.

The standard analytical methods available in the hot laboratory did not allow an easy quantitative determination of the Si-amount in CRUD. A new innovative procedure has been developed and tested with synthetic CRUD name Syntcrud.

The adapted flex-fusion digestion method presented here is able to provide reliable concentrations of several elements within CRUD, including Si, which was not possible in methods used previously for ICPMS measurement.

Mobility of water, sodium and gas molecules within a smectite nanopore

Various gases are produced by metal corrosion and organic material degradation in deep gelological repository for nuclear waste. To ensure repository safety, it's important to demonstrate that gases can be dissipated by diffusion in host rocks and prevent pressure buildup in repository near field. Smectite mineral particles form a pore network that is usually saturated with water, making gas diffusion the primary transport mechanism. Molecular simulations have shown that the diffusion of gases through the pore network depends on various factors, including pore size and temperature. For instance, smaller pores and lower temperatures tend to reduce gas diffusion. Interestingly, hydrogen and helium have been found to diffuse faster than argon, carbon dioxide, and methane, possibly due to interactions with the clay surface and water molecules. Ultimately, the diffusion coefficients for different gases and pore sizes can be predicted using an empirical relationship, which is useful for macroscopic simulations of gas transport.

During the last decades, computing power has been subject to tremendous progress due to the shrinking of transistor size as predicted by Moore’s law. However, as we approach the physical limits of this scaling, alternative techniques have to be deployed to increase computing performance. In this regard, the next big advance is envisioned to be the usage of approximate computing hardware based on field-programmable gate arrays and/or digital-analogue in-memory circuits. Such approximate computing can provide disproportional gain (x1000) in energy efficiency and/or execution time for acceptable loss of simulation accuracy. This could be highly beneficial in order to accelerate computational intensive simulations such as reactor core analyses with higher resolution multi-physics models. On the other hand, the execution of programming codes on low-precision hardware may result in inadequate outcomes due to quality degradation and/or algorithm divergence. To address these questions, studies on the stability and the performance of advanced reactor simulation algorithms as function of reduced floating-point arithmetic precision are being conducted at the laboratory for reactor physics and thermal-hydraulics. Results obtained so far indicate a large room for the acceleration of nuclear engineering applications using mixed-precision hardware. Therefore, research is now being enlarged towards assessing multiprecision computing methods for reactor core simulations with higher spatial resolution.

The increasing risk of extended electricity supply disruptions and severe electricity price fluctuations  strongly motivate an evaluation of electricity supply resilience. In this direction, this research proposes a multicriteria decision support framework to assess resilience at a country level, based on three major dimensions: Resist, Restabilize and Recover. In total, 35 European countries are ranked according to their performance on 17 indicators, through a synergy of MCDA methods, techniques and communication protocols. The assessment framework has been extended to incorporate the Choquet Integral method, in order to accommodate potentially interacting pairs of criteria and negate their arbitrary effects on the final evaluation results. The analysis incorporates country data from credible international databases, as well as the preference information of a European energy expert. The results are envisaged to support energy policymakers in Europe and provide guidelines and areas for improvement at a country level.

PSI has a unique (worldwide) environment for the investigation of highly radioactive / toxic materials:

> Materials (different fuel types, very high burn-up, different cladding materials, materials activated in SINQ).

> The hot lab with advanced tools for microsample analysis and preparation.

> The large-scale equipment for advanced material analysis.

This unique combination at PSI allows us to meet the needs of our industrial partners to improve plant safety / efficiency, up to fundamental research.

The quantitative distribution of fission products over the cross-section of a pellet with a shielded electron probe microanalyzer (EPMA) used for verification analysis of the material behavior to validate the model. In this context, Xe behavior during transients/failure (LOCA, RIA) is an important safety parameter that can’t be measured with the EPMA at the periphery. Microstructural EBSD investigations on a microsample extend the information horizon, which is deepened at the microXAS beamline by detailed X-ray analyses.

Data science (DS) and artificial intelligence (AI) methods opens up an immense range of new opportunities and challenges in the context of continuously enhancing the complex methodologies used as basis for nuclear safety assessments. To this aim, following discussions in the ETSON Technical Board on Reactor Safety, the PSI laboratory for reactor physics and thermal-hydraulics organized on October 20-21, 2022, an international workshop to review and discuss DS/AI within ETSON, the network of European research and expert organizations providing scientific support to national nuclear authorities. With close to 40 participants, the workshop, organized as a hybrid meeting, allowed to put in evidence that similarly as at PSI, a wide and growing range of developments with integration of DS/AI methods are currently taking place in order to complement and/or inform nuclear safety analysis methodologies.  

Light Water Reactors (LWRs) such as the ones operating in Switzerland work at relatively high temperatures and pressures. As a consequence, thermal-hydraulics experiments investigating relevant LWRs phenomena at prototypical conditions require test sections with relatively thick steel walls. This poses significant challenges for the implementation of suitable instrumentation to capture phenomena of interest, such as the flow regimes during transition from liquid to steam. The characterization of flow regimes in the presence of boiling is rather complex, and their better understanding would allow to develop mathematical modeling tools that can be used to optimize equipment and better assess safety margins. To perform in-situ measurements of the boiling process under high-pressure conditions, the team of authors from PSI, ETH, and the University of Michigan has developed a new high-fidelity and high-speed imaging system based on x-ray radiography, which provides high-resolution details on the boiling process while being non-intrusive. Since the instrumentation is located outside of the test section, it has also the advantage that can be easily moved to take measurements in different region of the test sections. 

A new incrementally extendable thermodynamic model, CASH+, was developed, aimed at accurately describing equilibrium composition, solubility, and elemental uptake of C-A-S-H gel-like phases at varying chemical conditions in cement systems. Cement is widely used as matrix and backfill for low and intermediate level waste. Calcium-Aluminum-Silicate Hydrates (C-A-S-H) are the most important binding phases in cement. They are also responsible for the initial entrapment of radionuclides via sorption or solid solution formation mechanisms. Therefore, the thermodynamic modelling of C-A-S-H stability, solubility and interaction with radionuclides in cement porewater is crucial for understanding hydration, blending, degradation of cement-based materials and for the performance assessment of cementitious repositories.

The fuel used for nuclear energy production is normally enclosed in zirconium-based cladding tubes that constitute the first barrier between the radioactive material and the environment. In water-moderated reactors, cladding tubes tend to corrode, generating hydrogen as side product. The study of the hydrogen embrittlement in zirconium alloys is of high relevance for the industry.

Depending on temperature, local hydrogen concentration, and local stress conditions, different hydrogen-induced embrittlement mechanisms can be active in the cladding material: in certain conditions hydrogen in solid solution might cause material softening through a mechanism known as hydrogen enhanced localized plasticity (HELP).

With the goal of determining the conditions necessary to activate the HELP effect in zirconium alloys, samples have been evaluated by different micro-mechanical and macro-mechanical techniques. Results highlight the importance of the interplay between solid solution hydrogen and hydrides on the hardness and yield point of the tested materials.

This work aimed to produce intermetallic samples of platinoid metals (active metal matrix) and lanthanides (co-metal) and via the method of Coupled Reduction, i.e. a thermal treatment of the combination of the lanthanide oxide and noble metal at high temperature, as high as 1100 °C, under a constant flow of H₂. We have demonstrated by means of several techniques, such as Scanning Electron Microscope, Energy Dispersive X-Ray Spectroscopy, Alpha Spectrometry and Radiographic Imaging, that this method, at defined experimental conditions (temperature, pressure and concentration) yields a metallic lanthanide thin film when using platinum as active metal matrix. Conversely, the formation of a bulk intermetallic compound was obtained when using Pd as matrix. Those systems will have applications in different nuclear physic and radiochemistry studies, such as irradiation targets for production of superheavy elements and for nuclear data determination.

An international group of researchers led by the Paul Scherrer Institute has carried out in-depth analyses of the climate impact of blue hydrogen. This is produced from natural gas, with the CO₂ resulting from the process captured and permanently stored. The study concludes that blue hydrogen can play a positive role in the energy transition – under certain conditions.

This highlight presents a successful, in-house developed integration of an Electron Beam Ion Source (EBIS) able to ionize gases to high charge states with a customized commercial MC-ICP-MS. The successful joining of the two ion flight paths is a milestone towards comprehensive routine analyses of solids, liquids, and gases using THE SAME MASS SPECTROMETER, the latter analyses free from atmospheric contamination. After implementation of an introduction system for gas mass spectrometry, routine analyses will comprise isotope ratio and relative abundance determinations of fission gases in used nuclear fuel. In addition to the unique versatility of the MC-EBIS-ICP-MS, inclusion of the EBIS furthers opens the little-studied field of mass spectrometry of highly charged ions.

Water boiling control evolution of natural geothermal systems is widely exploited in industrial processes due to the unique non-linear thermophysical behavior. Even though the properties of water both in the liquid and gas state have been extensively studied experimentally and by numerical simulations, there is still a fundamental knowledge gap in understanding the mechanism of the heterogeneous nucleate boiling controlling evaporation and condensation. In this study, the molecular mechanism of bubble nucleation at the hydrophilic and hydrophobic solid–water interface was determined by performing unbiased molecular dynamics simulations using the transition path sampling scheme. Analyzing the liquid to vapor transition path, the initiation of small void cavities (vapor bubbles nuclei) and their subsequent merging mechanism, leading to successively growing vacuum domains (vapor phase), has been elucidated. The simulations reveal the impact of the surface functionality on the adsorbed thin water molecules film structuring and the location of high probability nucleation sites.

After several years of loyal and reliable services during heavy duty operation in a reactor, nuclear fuel must be discharged and go into retirement. For Switzerland, the final place of retirement is planned to consist of a deep geological repository where the used nuclear fuel will be disposed. Before the repository is constructed, the used fuel will need to be stored in wet pools and/or dry storage casks.

During all this time, safe handling of the fuel will remain the top priority for operators and regulators. To gain better knowledge on the relevant phenomena which could potentially affect the fuel thermo-mechanics and safety characteristics during long storage periods as well as to allow predicting their evolution, simulation models are being developed at PSI within the DRYstars project.

A first milestone was recently achieved with the development of models coupled to state-of-the-art fuel performance codes for each of the three main categories of phenomena considered as having high safety relevance for storage, namely helium behaviour, creep behaviour and hydrogen behaviour.

NZZ am Sonntag  has picked up this highlight in its issue on March 7th, 2021: The highlight refers to the analysis performed in SCCER Joint Activity Scenarios and Modelling, where PSI-LEA performed the analysis of the energy transition pathways.

The entire study is an investigation into the self-similarity behavior ^[1] of first and second order statistical quantities derived from a large-scale jet flow taken from one of the experiments in the PANDA facility using the Proper Orthogonal Decomposition (POD).

What is presented, are the merits, the potential and the characteristics of the corresponding underlying POD analysis. Proper Orthogonal Decomposition (POD) is a mathematical framework to extract large-scale structures which are otherwise eventually masked by the complexity of the fully turbulent flow; example: the meandering of a jet which is not so obvious for the original data.

CeRh₂As₂, a nonsymmorphic heavy fermion material, was recently reported to host a remarkable temperature versus z-axis magnetic-field phase diagram with two superconducting phases. In this material, the two inequivalent Ce sites per unit cell, related by inversion symmetry, introduce a sublattice structure corresponding to an extra internal degree of freedom. In this work, we propose a classification of the possible superconducting states in CeRh₂As₂ from the two Ce-sites' perspective.

In December 2020, the Swiss Academy of Sciences (SCNAT) published its white book on radiochemical education in Switzerland. The report was authored under the lead of Prof. Dr. Roger Alberto (University of Zurich), Dr. Mario Burgener (Spiez Laboratory), and Prof. em. Dr. Heinz W. Gäggeler (University of Bern/Paul Scherrer Institute) and comprises contributions from many experts on the topic from various institutions throughout Switzerland. The white book highlights the imminent loss of experts in the field of radiochemistry and provides solutions to counteract this development.

As of December 10, 2020, the ETH Zurich appointed PSI’s Prof. Dr. Patrick Steinegger as assistant professor of radiochemistry  (tenure track). Thus, the ETH domain took first counter  measures against the imminent loss of radiochemical expertise  in Switzerland, emphasized in the “Weissbuch Radiochemie  Schweiz” by the Swiss Academy of Sciences (SCNAT).  Furthermore, the December issue of CHIMIA (Swiss Chemical  Society) invited to present the diverse radiochemical activities  throughout the country.

The December issue of CHIMIA of the Swiss Chemical Society (SCS) focused on the radiochemical activities throughout Switzerland. Scientists of the Laboratory of Radiochemistry contributed with a number of articles ranging from topics of fundamental sciences to applied research, thereby reflecting on the diverse projects carried out in our laboratory.

A safe, economical and environmental friendly disposal of used nuclear fuel represents an essential objective of relevance for all. This guides the approach under development at the laboratory for reactor physics and thermal-hydraulics. Establish higher resolution simulation methods to gain more detailed knowledge on the content of each single nuclear fuel rod ever irradiated in a reactor. Thereafter, use this knowledge to explore optimization approaches that could potentially enlarge the range of disposal options allowing to fulfill the highest level of safety standards while reducing economical costs and geological footprints at the same time.