Post-disruption runaway electron (RE) kinetic energy K and pitch angle sin ϑ are critical parameters for determining resulting first wall material damage during wall strikes, but are very challenging to measure experimentally. During the final loss instability, confined RE K and sin ϑ are reconstructed during center-post wall strikes for both high impurity (high-Z) and low impurity (low-Z) plasmas by combining soft x-ray, hard x-ray, synchrotron emission, and total radiated power measurements. Deconfined (wall impacting) RE sin ϑ is then reconstructed for these shots by using time-decay analysis of infra-red imaging. Additionally, deconfined RE K and sin ϑ are reconstructed for a low-Z downward loss shot by analyzing resulting damage to a sacrificial graphite dome limiter. The damage analysis uses multi-step modeling simulating plasma instability, RE loss orbits, energy deposition, and finally material expansion (MARS-F, KORC, GEANT-4, and finally COMSOL). Overall, mean kinetic energies are found to be in the range ⟨ K ⟩ ≈ 3 − 4 MeV for confined REs. KORC simulations indicate that the final loss instability process does not change individual RE kinetic energy K. Confined RE pitch angles are found to be fairly low initially pre-instability, ⟨ sin ϑ ⟩ ≈ 0.1 − 0.2 , but appear to increase roughly 2 × , to ⟨ sin ϑ ⟩ ≈ 0.3 − 0.4 for both confined and deconfined REs during instability onset in the low-Z case; this increase is not observed in the high-Z case.

The thermo-mechanical response of an ATJ graphite sample to controlled runaway electron (RE) dissipation, realized in DIII-D, is modelled with a novel work-flow that features the RE orbit code KORC, the Monte Carlo particle transport code Geant4 and the finite element multiphysics software COMSOL. KORC provides the RE striking positions and momenta, Geant4 calculates the volumetric energy deposition and COMSOL simulates the thermoelastic response. Brittle failure is predicted according to the maximum normal stress criterion, which is suitable for ATJ graphite owing to its linear elastic behavior up to fracture and its isotropic mechanical properties. Measurements of the conducted energy, damage topology, explosion timing and blown-off material volume, impose a number of empirical constraints that suffice to distinguish between different RE impact scenarios and to identify RE parameters which provide the best match to the observations.

To mitigate the impact of technical delays, provide a more rationalized approach to the safety demonstration and move forward as rapidly as possible to a reactor relevant materials choice, the ITER Organization embarked in 2023 on a significant re-baselining exercise. Central to this strategy is the elimination of beryllium (Be) first wall (FW) armour in favour of tungsten (W), placing plasma-wall interaction (PWI) centre stage of this new proposal. The switch to W comes with a modified Research Plan in which a first “Start of Research Operation” (SRO) campaign will use an inertially cooled, temporary FW, allowing experience to be gained with disruption mitigation without risking damage to the complex water-cooled panels to be installed for later DT operation. Conservative assessments of the W wall source, coupled with integrated modelling of W pedestal and core transport, demonstrate that the elimination of Be presents only a low risk to the achievement of the principal ITER Q = 10 DT burning plasma target. Primarily to reduce oxygen contamination in the limiter start-up phase, known to be a potential issue for current ramp-up on W surfaces, a conventional diborane-based glow discharge boronization system is included in the re-baseline. First-of-a-kind modelling of the boronization glow is used to provide the physics specification for this system. Erosion simulations accounting for the 3D wall geometry provide estimates both of the lifetime of boron (B) wall coatings and the subsequent B migration to remote areas, providing support to a simple evaluation which concludes that boronization, if it were to be used frequently, would dominate fuel retention in an all-W ITER. Boundary plasma (SOLPS-ITER) and integrated core–edge (JINTRAC) simulations, including W erosion and transport, clearly indicate the tendency for a self-regulating W sputter source in limiter configurations and highlight the importance of on-axis electron cyclotron power deposition to prevent W core accumulation in the early current ramp phase. These predicted trends are found experimentally in dedicated W limiter start-up experiments on the EAST tokamak. The SOLPS-ITER runs are used to formulate W source boundary conditions for 1.5D DINA code scenario design simulations which demonstrate that flattop durations of ∼100 s should be possible in hydrogen L-modes at nominal field and current (Ip = 15 MA, BT = 5.3 T) which are one of the principal SRO targets. Runaway electrons (RE) are considered to be a key threat to the integrity of the final, actively cooled FW panels. New simulations of RE deposition and subsequent thermal transport in W under conservative assumptions for the impact energy and spatial distribution, conclude that there is a strong argument to increase the W armour thickness in key FW areas to improve margins against cooling channel interface damage in the early DT operation phases when new RE seeds will be experienced for the first time.

Background

The permitted input power density of rotating anode x-ray sources is limited by the performance of available target materials. The commonly used simplified formulas for the focal spot surface temperature ignore the tube voltage despite its variation in clinical practice. Improved modeling of electron transport and target erosion, as proposed in this work, improves the prediction of x-ray output degradation by target erosion, the absolute x-ray dose output and the quality of diagnostic imaging and orthovolt cancer therapy for a wide range of technique factors.

Purpose

Improved modeling of electronic power absorption to include volume effects and surface erosion, to improve the understanding of x-ray output degradation, enhance the reliability of x-ray tubes, and safely widen their fields of use.

Methods

We combine Monte Carlo electron transport simulations, coupled thermoelasticity finite element modelling, erosion-induced surface granularity, and the temperature dependence of thermophysical and thermomechanical target properties. A semi-empirical thermomechanical criterion is proposed to predict the target erosion. We simulate the absorbed electronic power of an eroded tungsten-rhenium target, mimicked by a flat target topped with a monolayer of spheres, and compare with a pristine target.

Results

The absorbed electronic power and with it the conversion efficiency varies with tube voltage and the state of erosion. With reference to 80 kV (100%), the absorption of a severely eroded relative to a pristine target is 105% (30 kV), 99% (100 kV), 97% (120 kV), 96% (150 kV), 93% (200 kV), 87% (250 kV), and 79% (300 kV). We show that, although the simplistic Müller–Oosterkamp model of surface heating underestimates the benefit of higher tube voltages relative to operation at 80 kV, the error is limited to below −6% for 30 kV (reduction advised) and +13% for 300 kV (input power increase permitted).

Conclusions

Correcting the x-ray conversion efficiency of eroded target material, that is typically not accessible by measuring the tube current, may imply corrections to existing x-ray dose calculations. The relative increase of the allowable anode input power of rotating anode x-ray tubes with increasing tube voltage is substantially smaller than predicted by volume heating models that only rely on the focal spot surface temperature. The widely used voltage agnostic Müller–Oosterkamp formalism fails to predict the tube voltage dependency of the surface temperature of rotating anode targets, ignores the temperature dependency of the thermal diffusivity of tungsten-rhenium, and the granularity of the material. Nevertheless, we show theoretically why, backed by experience, the practical use of the Müller–Oosterkamp formalism is justified in medical imaging and provides a basis for comparison with new microparticle based targets. The reason for this surprising finding is that voltage dependent material erosion must be primarily considered as a precursor of thermal runaway effects.

The spatiotemporal resolution of diagnostic X-ray images is limited by the erosion and rupture of conventional stationary and rotating anodes of X-ray tubes from extreme density of input power and thermal cycling of the anode material. Conversely, detector technology has developed rapidly. Finer detector pixels demand improved output from brilliant keV-type X-ray sources with smaller X-ray focal spots than today and would be available to improve the efficacy of medical imaging. In addition, novel cancer therapy demands for greatly improved output from X-ray sources. However, since its advent in 1929, the technology of high-output compact X-ray tubes has relied upon focused electrons hitting a spinning rigid rotating anode; a technology that, despite of substantial investment in material technology, has become the primary bottleneck of further improvement. In the current study, an alternative target concept employing a stream of fast discrete metallic microparticles that intersect with the electron beam is explored by simulations that cover the most critical uncertainties. The concept is expected to have far-reaching impact in diagnostic imaging, radiation cancer therapy and non-destructive testing. We outline technical implementations that may become the basis of future X-ray source developments based on the suggested paradigm shift.

We present quasi-exact ab initio path integral Monte Carlo (PIMC) results for the partial static density responses and local field factors of hydrogen in the warm dense matter regime, from solid density conditions to the strongly compressed case. The full dynamic treatment of electrons and protons on the same footing allows us to rigorously quantify both electronic and ionic exchange-correlation effects in the system, and to compare the results with those of earlier incomplete models such as the archetypal uniform electron gas or electrons in a fixed ion snapshot potential that do not take into account the interplay between the two constituents. The full electronic density response is highly sensitive to electronic localization around the ions, and our results constitute unambiguous predictions for upcoming X-ray Thomson scattering experiments with hydrogen jets and fusion plasmas. All PIMC results are made freely available and can be used directly for a gamut of applications, including inertial confinement fusion calculations and the modeling of dense astrophysical objects. Moreover, they constitute invaluable benchmark data for approximate but computationally less demanding approaches such as density functional theory or PIMC within the fixed-node approximation.

The accurate description of non-ideal quantum many-body systems is of prime importance for a host of applications within physics, quantum chemistry, materials science, and related disciplines. At finite temperatures, the gold standard is given by ab initio path integral Monte Carlo (PIMC) simulations, which do not require any empirical input but exhibit an exponential increase in the required computation time for Fermionic systems with an increase in system size N. Very recently, computing Fermionic properties without this bottleneck based on PIMC simulations of fictitious identical particles has been suggested. In our work, we use this technique to perform very large (N <= 1000) PIMC simulations of the warm dense electron gas and demonstrate that it is capable of providing a highly accurate description of the investigated properties, i.e., the static structure factor, the static density response function, and the local field correction, over the entire range of length scales.

We present extensive new ab initio path integral Monte Carlo (PIMC) results for a variety of structural properties of warm dense hydrogen and beryllium. To deal with the fermion sign problem—an exponential computational bottleneck due to the antisymmetry of the electronic thermal density matrix—we employ the recently proposed [Y. Xiong and H. Xiong, J. Chem. Phys. 157, 094112 (2022); T. Dornheim et al., J. Chem. Phys. 159, 164113 (2023)] ξ-extrapolation method and find excellent agreement with the exact direct PIMC reference data where available. This opens up the intriguing possibility of studying a gamut of properties of light elements and potentially material mixtures over a substantial part of the warm dense matter regime, with direct relevance for astrophysics, material science, and inertial confinement fusion research.

An integral approach to plasma-wall interaction (PWI) modelling for DEMO is presented, which is part of the EUROfusion Theory and Advanced Simulation Coordination activities that were established to advance the understanding and predictive capabilities for the modelling of existing and future fusion devices using a modern advanced computing approach. In view of the DEMO design, the aim of PWI modelling activities is to assess safety-relevant information regarding the erosion of plasma-facing components (PFCs), including its impact on plasma contamination, dust production, fuel inventory, and material response to transient events. This is achieved using a set of powerful and validated computer codes that deal with particular PWI aspects and interact with each other by means of relevant data exchange. Steady state erosion of tungsten PFC and subsequent transport and re-deposition of eroded material are simulated with the ERO2.0 code using a DEMO plasma background produced by dedicated SOLPS-ITER simulations. Dust transport simulations in steady state plasma also rely on the respective SOLPS-ITER solutions and are performed with the MIGRAINe code. In order to improve simulations of tungsten erosion in the divertor of DEMO, relevant high density sheath models are being developed based on particle-in-cell (PIC) simulations with the state-of-the-art BIT code family. PIC codes of the SPICE code family, in turn, provide relevant information on multi-emissive sheath physics, such as semi-empirical scaling laws for field-assisted thermionic emission. These scaling laws are essential for simulations of material melting under transient heat loads that are performed with the recently developed MEMENTO code, the successor of MEMOS-U. Fuel retention simulations assess tritium retention in tungsten and structural materials, as well as fuel permeation to the coolant, accounting for neutron damage. Simulations for divertor monoblocks of different sizes are performed using the FESTIM code, while for the first wall the TESSIM code is applied. Respective code-code dependencies and interactions, as well as modelling results achieved to date are discussed in this contribution.

There is much debate on whether quantum computing on current NISQ devices, consisting of noisy hundred qubits and requiring a non-negligible usage of classical computing as part of the algorithms, has utility and will ever offer advantages for scientific and industrial applications with respect to traditional computing. In this position paper, we argue that while real-world NISQ quantum applications have yet to surpass their classical counterparts, strategic approaches can be used to facilitate advancements in both industrial and scientific applications. We have identified three key strategies to guide NISQ computing towards practical and useful implementations. Firstly, prioritizing the identification of a "killer app"is a key point. An application demonstrating the distinctive capabilities of NISQ devices can catalyze broader development. We suggest focusing on applications that are inherently quantum, e.g., pointing towards quantum chemistry and material science as promising domains. These fields hold the potential to exhibit benefits, setting benchmarks for other applications to follow. Secondly, integrating AI and deep-learning methods into NISQ computing is a promising approach. Examples such as quantum Physics-Informed Neural Networks and Differentiable Quantum Circuits (DQC) demonstrate the synergy between quantum computing and AI. Lastly, recognizing the interdisciplinary nature of NISQ computing, we advocate for a co-design approach. Achieving synergy between classical and quantum computing necessitates an effort in co-designing quantum applications, algorithms, and programming environments, and the integration of HPC with quantum hardware. The interoperability of these components is crucial for enabling the full potential of NISQ computing. In conclusion, through the usage of these three approaches, we argue that NISQ computing can surpass current limitations and evolve into a valuable tool for scientific and industrial applications. This requires an approach that integrates domain-specific killer apps, harnesses the power of quantum-enhanced AI, and embraces a collaborative co-design methodology.