Sputtering Yield Research Articles

A First-Principles Study of the Structural and Thermo-Mechanical Properties of Tungsten-Based Plasma-Facing Materials

Tungsten (W) and tungsten alloys are being considered as leading candidates for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for the design of magnetic and inertial fusion energy reactors are its high melting point, high thermal conductivity, low sputtering yield, and low long-term disposal radioactive footprint. Despite these relevant features, there is a lack of understanding of how the structural and mechanical properties of W-based alloys are affected by the temperature in fusion power plants. In this work, we present a study on the thermo-mechanical properties of five W-based plasma-facing materials. First-principles density functional theory (DFT) calculations are combined with the quasi-harmonic approximation (QHA) theory to investigate the electronic, structural, mechanical, and thermal properties of these W-based alloys as a function of temperature. The coefficient of thermal expansion, temperature-dependent elastic constants, and several elastic parameters, including bulk and Young’s modulus, are calculated. Our work advances the understanding of the structural and thermo-mechanical behavior of W-based materials, thus providing insights into the design and selection of candidate plasma-facing materials in fusion energy devices.

Radiofrequency sheath rectification on WEST: application of the sheath-equivalent dielectric layer technique in tokamak geometry*

Abstract Radiofrequency sheath rectification is a phenomenon relevant to the operation of Ion Cyclotron Range of Frequencies (ICRFs) actuators in tokamaks. Techniques to model the sheath rectification on 3D ICRF antenna geometries have only recently become available (Shiraiw et al 2023 Nucl. Fusion 63 026024; Beers et al 2021 Phys. Plasmas 28 093503). In this work, we apply the ‘sheath-equivalent dielectric layer’ technique, used previously only on linear devices (Beers et al 2021 Phys. Plasmas 28 103508), in tokamak geometry, computing rectified sheath potentials on the WEST ICRF antenna. Advancing the state of the art in sheath rectification modeling, we compute the sheath potentials not just on the limiters, but also on the Faraday Screen bars. The calculations show a peak rectified DC potential of 300 V on the limiters and 500 V on the Faraday screen. Assuming a typical sputtering yield curve, the RF sheath rectification increases the sputtering yield from the limiters by a factor of 2.6 w.r.t. the sputtering due to the non-rectified thermal sheath.

Mechanisms of nodule formation on Ni-Pt targets during sputtering

Ni-Pt alloys are employed in the formation of Ni-Pt silicide to facilitate contact and interconnection functions in semiconductor devices. However, the formation of nodules on the Ni-Pt target during sputtering results in a reduced deposition rate and abnormal discharge, significantly impacting the film quality. This study investigates the nodule formation mechanism on the surface of Ni-Pt targets during sputtering, utilizing field-emission scanning electron microscopy (FE-SEM), energy-dispersive spectroscopy (EDS), and electron backscatter diffraction (EBSD). The findings reveal that defects and inclusion areas in the target exhibit a slower sputtering rate compared to normal areas, ultimately leading to nodule formation. Notably, platinum-rich layers were observed on the surfaces of nodules, particularly those exceeding a height of 100 μm. The variations in target surface concentration, angular distribution, and sputter yield of Ni and Pt atoms, coupled with the blocking effect of the lateral areas of nodules, contribute to the formation and compositional variation of the Pt-rich layers on the nodule surfaces.

Analysis and prediction of sputtering yield using combined hierarchical clustering analysis and artificial neural network algorithms

Sputtering is a crucial technology in fields such as electric propulsion, materials processing and semiconductors. Modeling of sputtering is significant for improving thruster design and designing material processing control algorithms. In this study we use the hierarchical clustering analysis algorithm to perform cluster analysis on 17 descriptors related to sputtering. These descriptors are divided into four fundamental groups, with representative descriptors being the mass of the incident ion, the formation energy of the incident ion, the mass of the target and the formation energy of the target. We further discuss the possible physical processes and significance involved in the classification process, including cascade collisions, energy transfer and other processes. Finally, based on the analysis of the above descriptors, several neural network models are constructed for the regression of sputtering threshold E th, maximum sputtering energy E max and maximum sputtering yield SY max. In the regression model based on 267 samples, the four descriptor attributes showed higher accuracy than the 17 descriptors (R 2 evaluation) in the same neural network structure, with the 5×5 neural network structure achieving the highest accuracy, having an R 2 of 0.92. Additionally, simple sputtering test data also demonstrated the generalization ability of the 5×5 neural network model, the error in maximum sputtering yield being less than 5%.

SiO2 sputtering by low-energy Ar+, Kr+, and Xe+ ions in plasma conditions

Modern plasma technologies applied for nm-size devices require localizing ions’ impact within up to atomic layer to avoid uncontrollable damage of underlying structures. The decrease in energy of ions incident on a surface is one of the ways to achieve this. In this work, SiO2 sputtering by Ar+, Kr+, and Xe+ ions at energies of 20–200 eV was studies in the low-pressure ICP-discharge at a plasma density typical for plasma processing. The rf-bias waveform tailoring due to high discharge asymmetry allowed generating and controlling ion narrow energy spectrum with FWHM 5±2 eV. Real time in-situ control over ion composition and flux as well as sputtering rate provided accurate determination of the SiO2 sputtering yield, . It is shown that at ion energy above ∼70 eV, the “classical” kinetic sputtering mechanism prevails. In this case, rapidly grows with ion energy, while decreasing with the decrease in ion mass. Below ∼70 eV, the change of is strongly slow down while the sputtering yield still stays high enough (>10-3), demonstrating the plasma impact on the sputtering mechanism. The obtained trends of under the plasma exposure are discussed in light of possible SiO2 surface modification studied by AFM and angular XPS analysis.

Simulation of ion beam sputtering with OKSANA and SRIM: A comparative study

The energy distributions and average energies of sputtered particles are calculated using simulation codes OKSANA and SRIM-2013. Most simulations refer to an amorphous Ni target bombarded by normally incident Ar ions of keV energies. Sputtering of Si, Ti, V and Nb targets is also considered. It is shown that SRIM can strongly overestimate the contribution of fast ejected atoms, especially for targets irradiated with lighter ions. The effect is amplified by using the surface binding energies found to fit the measured sputter yields. It is concluded that the enhanced ejection of fast particles is associated with sputtering due to backscattered ions. The role of the first collision of an incident ion with a target atom is particularly noted. A comparison of the OKSANA calculated results with the data of other codes (TRIM.SP, ACAT) and experimental data showed their reasonable agreement.

Sputtering of targets in high-intensity heavy-ion beam experiments

Based on available models and experimental data, the sputtering of target atoms in long-term experiments with intense heavy ion (HI) beams has been considered. The experiments on the synthesis of superheavy nuclei (SHN), which are carried out in laboratories around the world, are examples of such experiments encountering the target atoms sputtering in specific conditions. Rotating wheels with a relatively large target annulus area are used in these experiments to reduce the temperature and radiation loads on the target. Large areas of rotating targets allow one to reduce the sputtering yields of target atoms significantly. The question arises about the reliability of these yields in experiments on the synthesis of SHN with Z>118. These nuclei can be produced with extremely low cross sections, requiring HI beam doses exceeding 10 20 particles passed through the target to observe several decay events of the thus synthesized SHN. Estimates based on approximations and simulations considered in this work are presented and compared with some data on actinide target sputtering obtained in experiments performed on the synthesis of SHN.

Multi-physics modeling of tungsten collector probe samples during the WEST C4 He campaign

We describe the results of a multi-scale, multi-physics modeling assessment of SOLPS-ITER, hPIC2, RustBCA and Xolotl, in which five single-crystal tungsten (W) samples were placed in a reciprocating collector probe and exposed to helium (He) plasma in the WEST fusion device. In our models, we considered a pure (100 %) He plasma, as well as one with oxygen (O) present (95% He 5% O) corresponding to the impurity concentration estimated during the C4 He campaign in WEST. Our SOLPS simulations approximately match experimental reciprocating Langmuir probe plasma measurements of plasma density and temperature. Using these plasma parameters as input, hPIC2 and RustBCA predict that the presence of oxygen impurities lead to a 15%–20% decrease in ion and heat fluxes to the surface, and an order of magnitude higher sputtering yields (compared with a pure He plasma). Xolotl predictions for the response of tungsten to plasma surface interactions (PSIs) agree with experimental LAMS analysis, and indicate large near-surface He concentrations, which quickly decay with depth. Our model also shows an increasing role of erosion—in removing the near-surface He—with time. Overall, slightly higher retention is predicted for tungsten exposed to a pure He plasma, with the largest differences in the near-surface gas content caused by the large oxygen-induced erosion. This highlights the important role that impurities play in PSI. Therefore, future work will focus on providing a fully self-consistent description of oxygen (and oxides, etc.) in our models, through multi-species implementation in GITR and inclusion of oxygen and tungsten oxide formation in Xolotl.

Simple dynamical model that leads to sputter cone formation.

We introduce a model for sputter cone formation that includes only the angular dependence of the sputter yield and a fourth-order smoothing effect like surface diffusion. In one dimension, a sputter cone is a particular kind of shock wave that is known as an undercompressive shock. Simulations of our model show that a wide variety of initial conditions lead to the formation of sputter cones and that the opening angle of the cones does not depend on the detailed form of the initial condition. In two dimensions, a sputter cone is a higher-dimensional analog of an undercompressive shock. For two particularly simple choices of parameters, a sputter cone is a four-sided pyramid with rounded edges that is produced by the superposition of two orthogonal, one-dimensional undercompressive shocks.

Note on the low deposition rate during reactive magnetron sputtering

Previously published data on the metal partial sputter yield from a poisoned target during reactive magnetron sputtering is confronted with the metal partial sputter yield from the corresponding compound calculated based on an existing semi-empirical model validated with experimental ion beam data. Both yields are linearly correlated but the magnetron based sputter yields are approximately 8 times lower. The lower yield is explained from the formation of an oxygen rich top layer. This hypothesis is verified by binary collision approximation Monte Carlo simulations.

A tungsten-wall sputtering model for the plasma start-up simulation in tokamaks

Abstract Tungsten (W) is the most probable material for the plasma-facing components of fusion reactors due to its excellent thermal and physical properties. A W-wall sputtering model has been established to simulate the start-up of a tokamak plasma using the 0D simulation code DYON. This model incorporates the revised Bohdansky formula to calculate the sputtering yield and a modified formula for calculating the energy impacting the walls. This formula integrates the temporal behavior of electron and ion temperatures at the plasma edge, which has been partially verified by the Thomson scattering diagnostic data. With the new model in place, predictive simulations were conducted for KSTAR’s Ohmic plasma under two W-wall scenarios: one with the entire wall surface covered by W and the other with 95% coverage of W and 5% coverage of carbon (C). The results indicate that the full-W wall may perform better from the perspective of start-up performance. The disparity can primarily be attributed to impurities generated through sputtering and recycling on the C wall. The validity of this model will be finally confirmed when the Thomson diagnostic system is able to precisely measure the edge electron temperature during plasma start-up.

Comprehensive study of Kinetic Trajectory Simulation method for multi-component magnetized plasma-wall interaction process

For a wide range of plasma applications across diverse fields, a comprehensive understanding of the plasma-wall interaction mechanism is indispensable due to its inherent connection with confined plasma. This work compilation delves into the Kinetic Trajectory Simulation (KTS) method for the interaction of multi-component magnetized plasma with wall, specifically focusing on its implications for the tungsten wall sputtering model. In the evolution of the 1d3v (one dimensional spatial coordinates and three dimensional velocity coordinates) KTS method, the coupled set of kinetic equations has been solved under specified boundary conditions which yields results of higher accuracy. At the particle injection boundary, we have assumed the velocity distribution function of particle species to be cut-off Maxwellians, meeting essential requirements for plasma-wall transition processes: quasineutrality, sheath edge singularity, continuity of macroscopic fluid variables, and the kinetic Bohm sheath condition. The kinetic Bohm sheath condition, a fundamental criterion for plasma sheath formation, is extended for multi-component plasmas, accounting for the cut-off Maxwellian distribution of negatively charged particles. A comparative study of the kinetic Bohm sheath condition for cut-off and Boltzmann distributions reveals a deviation of less than 2.0% in magnitude. The concentration ratio of positive or negative ion species and the presheath side electron temperature influence various plasma-wall transition characteristics, including wall potential, Debye sheath thickness, particle densities, potential distribution, particle fluxes towards the surface, particle drift velocity, phase-space trajectory evolution, and physical sputtering of the tungsten surface. Although lighter ions possess higher energy when striking the surface, the physical sputtering yield of the tungsten surface is greater for heavier ions due to their lower threshold energy and larger collision cross-section. Furthermore, a comparative study of plasma-wall transition properties using kinetic and fluid approaches demonstrates qualitative similarities, with a notable deviation of approximately 4.0% in the magnitude in the vicinity of the material surface.

Low-pressure high-current magnetron discharge with electron injection: From self-sputtering with multiply charged metal ions to non-sputtering with “pure” gas ions

We report our experimental investigations of the effect on the ion composition, including the ion mass-to-charge composition, of electron injection into the plasma of a high-current pulsed magnetron discharge in the ultra-low operating pressure range. We show that changing the magnetron discharge voltage by injecting additional electrons with adjustable current allows implementation of two operating modes: one with a plasma in which metal ions dominate (including multiply charged ions for certain target materials with low sputtering yield), and the other a magnetron non-sputtering mode with plasma of only gaseous ions.

Nanoscale pattern formation on surfaces by cluster ion beam irradiation

Ion beam sputtering is a solid-surface nanostructuring procedure applicable to any type of material. In this study, we are interested in the bombardment of a metallic surface, specifically, of a Co(110) surface bombarded with Ar clusters at oblique incidence. The bombardment with clusters accentuates the effect of surface ripple formation. Sputter erosion and surface atomic redistribution are the processes that determine the morphological evolution of the surface from the collisional point of view. The importance of these processes was analyzed for different angles of incidence in the bombardment with very small clusters and atoms while always maintaining the same fluence. The sputter yield increases with the number of atoms in the cluster for angles greater than 50°; while for the rest, it barely experiences any increase. Unlike sputtering, displacements increase as the cluster size increases above the critical angle. Moreover, horizontal displacement only shows some sign of saturation for angles close to the normal. An analysis of redistributed volumes and previous data suggest that sputtering drives the ripple effect for grazing angles and ones close to these. It is also responsible for the enhancement effect in the cluster bombardment. For the rest of the angles, the weight of the redistribution is decisive. There is a proportional relationship between the emptied volume and the horizontal displacement.

Sputtering yield increase with fluence in low-energy argon plasma-tungsten interaction

The increase of tungsten sputtering yield with fluence was investigated during plasma (≤100 eV) irradiation. This analysis focused on the combined effects of surface binding energy and surface morphology caused by Ar retention. As post-mortem analysis, Ar concentration was measured with SIMS (Secondary Ion Mass Spectroscopy) and TDS (Thermal Desorption Spectroscopy). The Ar concentration saturated at 21 % of W number density during the sputtering process. The corresponding change in surface morphology causes a change in the local ion incident angle, which leads to a sputtering yield increase of 10 %. The increased Ar concentration leads to a decrease in surface binding energy and a change in surface morphology which increases W sputtering yield from 0.02 to 0.03 by ion energy 80 eV. Over time, W sputtering yield reaches saturation as a function of saturated Ar concentration. This result implies that the synergistic role of Ar concentration and surface morphology on sputtering yield. This sputtering yield enhancement occurs more seriously in the realistic condition of plasma-facing materials that face low-energy plasma.

SIMS analysis of the degradation pathways of methylammonium lead-halide perovskites

This study employed time-of-flight secondary ion mass spectrometry (TOF-SIMS) to investigate degradation pathways at the nanoscale, utilizing its capacity for in-depth chemical and structural analysis through various methods, including depth profiling and 3D analysis. A key focus is the matrix effect in ToF-SIMS, which alters secondary ion yields based on the sample matrix composition, influencing species identification and quantification. We show that this effect can be used to enhance the resolution of ToF-SIMS beyond its traditional limits, allowing for detailed imaging of the degradation process. Our findings indicate that the initial formation of PbI2 phases, a crucial step in the degradation pathway triggered by environmental factors, can be traced and visualized. By investigating the sputtering yields and secondary ion formation, we reveal the nonlinear sputtering regimes present in MAPI, contributing to our understanding of the mechanisms driving perovskite degradation. The application of this enhanced analytical technique paves the way for improved degradation studies.

Sputtering fabrication of isolated W nanocolumns: A possible alternative as plasma facing material for nuclear fusion reactors

Isolated tungsten nanocolumns (W-NCs) have been reported to exhibit a higher radiation resistance than coarse grained W samples, under radiation conditions similar to those that plasma facing materials would face in both magnetic and inertial confinement nuclear fusion approaches (MCF and ICF, respectively). This is so, because their ability to release He via the free surfaces and, the strong reduction of the sputtering yield under KeV Ar and D irradiation as well as, flattening of its angular dependence. The latter is very important for the divertor location in MCF.In this work, we investigate the capabilities of sputtering (an easy control, environmentally friendly, versatile, scalable and low-cost technique) to fabricate isolated W nanocolumns. We study the influence of sputtering parameters (plasma power and deposition angle) on the morphology, density and microstructure of the deposited coatings. Results show that stable α-phase 3D isolated W-NCs are produced at low plasma power (<100 W) and high deposition angles (θ ≥ 75°).

Optimization of lithium vapor box divertor evaporator location on NSTX-U using SOLPS-ITER

Commercial fusion reactors will be faced with extremely high divertor target heat fluxes that will require mitigation. Simulations of detachment in an NSTX-U scenario projected to have 92 MW m−2 unmitigated peak target heat flux are presented, which reaches sub-10 MW m−2 target heat flux using a highly dissipating lithium vapor box divertor design. The lithium vapor box is a detached divertor design which employs lithium vapor evaporation and condensation to contain lithium below the X-point. Previous SOLPS modeling has indicated a lithium vapor box can reduce the heat flux down to 10 MW m−2 via simultaneous evaporation from the Private Flux Region (PFR) and the Common Flux Region (CFR) sides of the vapor box. It is found here that PFR evaporation has improved access to the separatrix leading to significantly more efficient power dissipation than CFR evaporation. Simulations of target evaporation with an evaporation distribution that is self-consistent with the temperature of a Capillary Porous System with Fast flowing liquid lithium could reach nLi / ne∼ 0.025–0.030 at the Last Closed Flux Surface (LCFS) depending on the liquid metal flow speeds and lithium sputtering yield, while PFR-side evaporation can reach acceptable heat fluxes with nLi / ne∼ 0.038 at the LCFS. However, PFR evaporator performance can be improved if the target is allowed to be hot enough such that it reflects lithium, reaching nLi / ne∼ 0.028 and reducing required lithium evaporation. Ultimately PFR evaporation and target evaporation are found to have similar ability to produce acceptable heat flux solutions with minimal upstream concentration.

Modifications of astrophysical ices induced by cosmic rays

Aims. Astrophysical ices on dust grain mantles in the interstellar medium (ISM) and dense circumstellar envelopes (CSEs) are continuously exposed to galactic cosmic rays (GCRs). In a laboratory setting, we studied the physical and chemical modifications of ice layers induced by energetic heavy ions as GCR analogues. The ice layers used have a molecular composition similar to that of icy grain mantles. Methods. Mixtures of H2O:CO:CH3OH molecules (percentages 73:24:3, 68:30:3, and 58:38:3) were condensed on a substrate at 15 K and irradiated with 40 MeV 58Ni11+ ion beams. Irradiation-induced modifications were followed using the mid-infrared absorption spectroscopy technique. Results. We observed the evolution of infrared bands of CO2, HCO, HCOOH, CH4, H2CO,H2O2, and more complex synthesised molecules. From the molecular column densities, cross-sections and sputtering yields were determined and compared to published results of water and carbon monoxide. Analysis of the chemical modifications reveals that the precursors are easily destroyed when they are in a molecular mixture, while others are desorbed. Conclusions. The main radiolitic modifications induced by GCR irradiations are molecular decomposition and sputtering. Extrapolation to astrophysical radiation conditions shows a strong dependence on the intensity of the GCR distributions at low energies, which allows the analysis of the ice evolution at timescales comparable to those of the ISM and CSE.

Comprehensive new insights on the potential use of SiC as plasma-facing materials in future fusion reactors

The performance of silicon carbide as an alternative plasma facing material (PFM) was studied at various irradiation conditions relevant to ion energies and fluxes of a fusion reactor. This analysis involves detailed modeling of subsurface plasma/material interactions, sputtered particle transport above the surface and redeposition, and related changes in material composition and microstructure induced by steady-state and Edge Localized Mode ion fluxes. Transition of a crystalline SiC surface to semi-crystalline and amorphous phases was analyzed based on advanced modeling of DIII-D tokamak experiments where SiC was irradiated in single- and multiple- L-mode and H-mode discharges. This analysis shows that displacement damage, particle deposition/redeposition, and D accumulation on the SiC divertor surface can lead to significant microstructural changes that result in enhanced sputtering erosion in comparison with the original crystalline material. However, the resulting total net erosion rate for a full-coverage, advanced tokamak, SiC coated divertor may well be acceptably low. Moreover, the C sputtering yield from the evolved SiC surface can be seven times lower than from a pure graphite surface; this would imply significantly reduced tritium co-deposition rates in a D-T tokamak reactor, compared with a pure carbon surface. It was also determined that chemical sputtering of both C and Si should not result in any noticeable effect on the net erosion, for attached plasma regimes. Our results thus show encouraging results overall for use of SiC as a PFM in tokamaks.