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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Phosphorus diffusion and deactivation during SiGe oxidation

Dopant profiles near the semiconductor–oxide interface are critical for microelectronic device performance. As the incorporation of Si 1−x Ge x into transistors continues to increase, it is necessary to understand the behavior of dopants in Si 1−x Ge x . In this paper, the diffusion and electrical activation of phosphorus within a strained, single-crystal Si 0.7 Ge 0.3 layer on Si during oxidation are reported. Both layers were uniformly doped, in situ, with an average phosphorus concentration of 4 × 10 19 atoms/cm 3 . After high-temperature oxidation, secondary ion mass spectrometry measurements revealed that the bulk of the phosphorus diffuses out of only the SiGe layer and segregates at the oxidizing SiGe–SiO 2 interface. Hall effect measurements corroborate the observed phosphorus loss and show that the phosphorus diffusing to the oxidizing interface is electrically inactive. Through density functional theory (DFT) calculations, it is shown that phosphorus interstitials prefer sites near the SiGe–SiO 2 interface. Finally, based on a combination of experimental data and DFT calculations, we propose that the phosphorus atoms are displaced from their lattice sites by Ge interstitials that are generated during SiGe oxidation. The phosphorus atoms then migrate toward the SiGe–SiO 2 interface through a novel mechanism of hopping between Ge sites as P–Ge split interstitials. Once they reach the interface, they are electrically inactive, potentially in the form of interstitial clusters or as part of the reconstructed interface or oxide.

Thornton, Chappel S.↗
DOE OSTI2024

Initial Development of Fusion Magnet Simulation Capabilities for Performance and Safety Evaluation Using the MOOSE Framework

Fusion energy holds the promise of being a transformative technology as a carbon-neutral, sustainable source of energy. Whole device modeling and the development of fusion digital twins will be increasingly important for emerging fusion device concepts at both national laboratories and within the commercial fusion industry. However, meeting the challenge of whole device modeling of fusion energy devices requires robust, multiphysics, multiscale modeling and simulation technologies capable of running on large-scale supercomputers. Detailed analysis of individual systems at-scale is also required to ensure safe and efficient operation as well as provide the safety basis for future device designs and licensing activities. In a tokamak, toroidal and poloidal magnets confine and shape the fusion plasma to promote the fusion reaction. High plasma temperatures and high magnetic field requirements in modern design concepts (leading to high amounts of energy stored within each magnet) impose electrical, thermal, and mechanical loads on the magnet components, which in turn impacts the safety considerations of the magnet and their supporting systems. Idaho National Laboratory (INL) has a history of working in this space, including development and benchmarking of the Magnetic System Circuitry Analysis Program (MSCAP) and Magnet Arcing (MAGARC) codes to study magnet quench events; notably, MAGARC was used to study quenching during the ITER Engineering Design Activity. However, these legacy codes and capabilities are not parallel and scalable, and new tools are required for future advances in this area, which leads to the INL-developed Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Developed originally for fission reactor systems under United States Department of Energy, Office of Nuclear Energy modeling and simulation programs, the MOOSE framework has been well-suited to multiscale, multiphysics modeling and simulation needs for nuclear systems. The framework is open-source, well-tested, under continuous development and deployment, and developed to a Nuclear Quality Assurance, Level 1 software quality standard. MOOSE has also been used in the fusion space previously in several projects: INL’s Tritium Migration Analysis Program, Version 8 (TMAP8) for tritium migration, UK Atomic Energy Authority’s A Unified Resource for OpenMC (fusion) Reactor Applications (AURORA) code for fusion thermo-mechanical and neutronics analysis, and Argonne National Laboratory’s Cardinal for high-fidelity computational fluid dynamics and neutronics. However, to model superconducting magnets, several MOOSE enhancements are required: additions to the current MOOSE electromagnetic capabilities, new material libraries for superconductors of interest (such as YBCO), as well as fusion-specific models for thermo-mechanics. This talk will discuss initial development activities to build these capabilities in MOOSE, focusing on initial validation and benchmarking activities. Proposed coupling workflows and future work to support the simulation of fusion magnets and magnet structural assemblies for performance and safety evaluation in MOOSE will also be discussed.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Shear strain alters the structure and migration mechanism of self-interstitial atoms in copper

Here, we use atomistic modeling to show that externally applied shear strain causes the lowest energy self-interstitial atom (SIA) structure in copper (Cu) to change from a <100>-type dumbbell to a <110>-type dumbbell. Concurrently, SIA migration switches from the 3-D random walk characteristic of <100>-type dumbbells to a 1-D mechanism analogous to that of crowdion SIAs. Furthermore, the relative energies of these two dumbbell structures as a function of strain are well predicted using elastic dipole tensors computed at zero strain, indicating that examination of these tensors may be used to assess the likelihood of strain-induced SIA structure transitions in other materials. Changes in lowest energy SIA structures and associated migration mechanisms stand to impact predictions of SIA behavior in irradiated solids.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Photoelectron Spectroscopy and Theoretical Study on Monosolvated Cyanate Analogue Clusters ECX-· Sol (ECX- = NCSe-, AsCSe- and AsCS-; Sol = H2O, CH3CN)

Six monosolvated cyanate analogue clusters ECX-?Sol (ECX– = NCSe-, AsCSe-, and AsCS-; Sol = H2O and CH3CN) were investigated using negative ion photoelectron spectroscopy (NIPES). NIPES experiments show that these clusters possess overall similar spectra compared to their respective isolated ECX- anions but shift to higher electron binding energy with solvent CH3CN stabilizing the excess electrons slightly more than H2O. For the ECX-·H2O series, vertical detachment energies and their increments relative to the bare species are measured to be 3.700 / 0.370, 3.085 / 0.425, 3.085 / 0.430 eV for NCSe-, AsCSe- and AsCS-, respectively, while the corresponding values in ECX-·CH3CN series are 3.835 / 0.505, 3.145 / 0.475, and 3.135 / 0.480 eV. Ab initio electronic structure calculations indicate the excess charges located at the terminal N and Se atoms in NCSe- and migrated to the central C atom in AsCSe- and AsCS-. For NCSe-, the solvation is driven by the interactions with the two negatively charged terminal ends, while for AsCSe- and AsCS-, the solvation revolves around the interactions with the central C atom, where all the excess negative charge is concentrated. Two nearly degenerate isomers for NCSe-·H2O are identified, one forming a single strong N…H-O hydrogen bond (HB) and the other featuring a bidentate HB with two hydroxyl H atoms pointing to N and Se ends. In contrast, the negative central C atom in AsCSe-/AsCS- allows the formation of a bifurcated HB with H2O. Similar effects are observed for the acetonitrile case, in which the three H atoms of methyl group interact with the two negatively charged terminal ends in NCSe-, while prefer binding to the central negative carbon atom in AsCSe-/AsCS-. The different binding motifs derived in this work may suggest distinctly different solvation properties in NCSe- versus AsCSe-/AsCS-, with the former anion leading to asymmetric solvation at the N end of the solute, while the latter species creating more ‘isotropic’ solvation around the central C equatorial plane. This work was supported by U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, and performed using EMSL, a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. The theoretical calculations were conducted on EMSL’s “Cascade” Supercomputer.

Yuan, Qinqin↗
DOE OSTI2021

Mechanism and kinetics of the oxidation of 1,3-butadien-1-yl (n-C 4 H 5 ): a theoretical study

Here, ab initio CCSD(T)-F12/cc-pVTZ-f12//B3LYP/6-311G(d,p) calculations of the C 4 H 5 O 2 potential energy surface have been combined with Rice–Ramsperger–Kassel–Marcus Master Equation (RRKM-ME) calculations of temperature- and pressure-dependent rate constants and product branching ratios to unravel the mechanism and kinetics of the n-C 4 H 5 + O 2 reaction. The results indicate that the reaction is fast, with the total rate constant being in the range of 3.4–5.6 × 10 –11 cm 3 molecule –1 s –1 . The main products include 1-oxo-n-butadienyl + O and acrolein + HCO, with their cumulative yield exceeding 90% at temperatures above 1500 K. Two conformers of 1-oxo-n-butadienyl + O are formed via a simple mechanism of O 2 addition to the radical site of n-C 4 H 5 followed by the cleavage of the O–O bond proceeding via a van der Waals C 4 H 5 O∙∙∙O complex. Alternatively, the pathways leading to acrolein + HCO involve significant reorganization of the heavy-atom skeleton either via formal migration of one O atom to the opposite end of the molecule or its insertion into the C1–C2 bond. Not counting thermal stabilization of the initial peroxy adducts, which prevails at low temperatures and high pressures, all other products share a minor yield of under 5%. Rate constants for the significant reaction channels have been fitted to modified Arrhenius expressions and are proposed for kinetic modeling of the oxidation of aromatic molecules and 1,3-butadiene. As a secondary reaction, n-C 4 H 5 + O 2 can be a source for the formation of acrolein observed experimentally in oxidation of the phenyl radical at low combustion temperatures, whereas another significant (secondary) product of the C 6 H 5 + O 2 reaction, furan, could be formed through unimolecular decomposition of 1-oxo-n-butadienyl. Both the n-C 4 H 5 + O 2 reaction and unimolecular decomposition of its 1-oxo-n-butadienyl primary product are shown not to be a substantial source of ketene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Thermal gradient effect on helium and self-interstitial transport in tungsten

First-wall materials in a fusion reactor are expected to withstand harsh conditions, with high heat and particle fluxes that modify the materials microstructure. These fluxes will create strong gradients of temperature and concentration of diverse species. Besides the He ash and the hydrogenic species, neutron particles generated in the fusion reaction will collide with the material creating intrinsic defects, such as vacancies, self-interstitials atoms (SIAs), and clusters of such point defects. These defects and the He atoms will then migrate in the presence of the aforementioned gradients. In this study, we use nonequilibrium molecular dynamics to analyze the transport of He and SIAs in the presence of a thermal gradient in tungsten. We observe that, in all cases, the defects and impurity atoms tend to migrate toward the hot regions of the tungsten sample. The resulting species concentration profiles are exponential distributions, rising toward the hot regions of the sample, in agreement with irreversible thermodynamics analysis. For both He atoms and SIAs, we find that the resulting species flux is directed opposite to the heat flux, indicating that species transport is governed by a Soret effect (thermal-gradient-driven diffusion) characterized by a negative heat of transport that drives species diffusion uphill (from the cooler to the hot regions of the sample). Here, we demonstrate that the steady-state species profiles obtained accounting for the Soret effect vary significantly from those where temperature-gradient-driven transport is not considered and discuss the implications of such a Soret effect on the response to plasma exposure of plasma-facing tungsten.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The effect of composition on helium bubble nucleation in complex concentrated alloys

Molecular dynamics simulations of helium implantation have been performed in the MoNbTaTi complex concentrated alloy (CCA) to determine the impact of composition on helium clustering and bubble nucleation. It was found that compositions with lower interstitial atomic volume resulted in smaller cluster sizes, higher helium-to-vacancy ratios, and larger migration barriers. As the atomic volume decreases, it is harder to accommodate additional helium in the lattice and for helium to diffuse between interstitial sites, resulting in smaller cluster sizes. In particular, increasing molybdenum directly correlated with a decreased interstitial atomic volume and increased migration barrier. Niobium exhibited the opposite trend, where more niobium in the material resulted in larger interstitial atomic volumes and cluster sizes but lower migration barriers. The atomic volume was determined to be an indicator of the susceptibility of the material to helium bubble growth and could potentially be used as a metric to screen compositions for resistance to helium damage. In this way, properties such as available interstitial volumes could be used to screen materials more rapidly given the vast compositional space of CCAs.

McCarthy, Megan Jeanne [Sandia National Laboratori↗
DOE OSTI2021

Sluggish, chemical bias and percolation phenomena in atomic transport by vacancy and interstitial diffusion in Ni-Fe alloys

In this paper, we report the results of extended atomistic modeling of intrinsic mobility of point defects and associated atomic transport in Ni-Fe model binary alloys. We consider the effects of composition and temperature and present evidence of the sluggish and chemically biased diffusion, and percolation effects occurring in atomic transport via the vacancy and interstitial migration mechanisms. The results are analyzed and discussed in the light of previous studies and some experimental observations. It is demonstrated that the sluggish diffusion, the chemically biased diffusion, and the percolation are interlinked phenomena that are defined by the chemical complexity of particular alloys. Methods for predicting these phenomena in multicomponent alloys are discussed.We report a fundamental understanding of sluggish diffusion, chemically-biased diffusion, as well as percolation phenomena, in Ni-Fe random alloys for vacancy and interstitial atom migration mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermodynamic and kinetic properties of layered-CaCo2O4 for the Ca-ion batteries: a systematic first-principles study

One of the more promising directions in multivalent energy storage is systems based on Ca ion intercalation due to the potential for high voltage and capacity. A major challenge for enabling such a battery is to find cathode materials capable of fast ionic diffusion and reversible insertion of Ca ions. Here, on the basis of first-principles calculations, we have demonstrated that layered CaCo 2 O 4 exhibits favorable thermodynamic and kinetic properties that should enable topotactic Ca ion intercalation reactions. The P3-type layered Ca x Co 2 O 4 (0 < x < 1) with either of space groups of P 1 or P 2 1 / m are stable at multiple Ca concentrations and show a smooth voltage plateau higher than 3 V up to X = 0.5. The energy barriers of the single Ca ion migration are as low as 0.36 eV and 0.27 eV at the dilute and high vacancy concentration limits, respectively. Therefore, although varying the vacancy environments of the diffusing atom influences the migration barriers, they do not exceed 0.6 eV. Stochastic analysis of Ca hopping events performed by ab initio molecular dynamics (AIMD) simulation has shown that the migration barriers are lower than 0.32 eV. Therefore, the Ca diffusivity at room temperature extrapolated from the AIMD results is comparable to Li diffusivity (>10 -10 cm 2 s -1 ) in conventional Li cathode materials, suggesting the feasibility of layered Ca x Co 2 O 4 as multivalent cathode materials. Finally, the structural factors that enable fast diffusion are discussed.

25 ENERGY STORAGE↗
DOE OSTI2023

Mechanism of Nitrogen-Carbon Bond Formation from Iron(IV) Disilylhydrazido Intermediates during N 2 Reduction

We recently reported a reaction sequence that activates C–H bonds in simple arenes as well as the N–N triple bond in N 2 , delivering the aryl group to N 2 to form a new N–C bond ( Nature 2020 , 584, 221). This enables the transformation of abundant feedstocks (arenes and N 2 ) into N-containing organic compounds. The key N–C bond forming step occurs upon partial silylation of N 2 . However, the pathway through which reduction, silylation, and migration occurred was unknown. Here, in this work, we describe synthetic, structural, magnetic, spectroscopic, kinetic, and computational studies that elucidate the steps of this transformation. N 2 must be silylated twice at the distal N atom before aryl migration can occur, and sequential silyl radical and silyl cation addition is a kinetically competent pathway to a formally iron(IV)–NN(SiMe 3 ) 2 intermediate that can be isolated at low temperature. Kinetic studies show its first-order conversion to the migrated product, and DFT calculations indicate a concerted transition state for migration. The electronic structure of the formally iron(IV) intermediate is examined using DFT and CASSCF calculations, which reveal contributions from iron(II) and iron(III) resonance forms with oxidized NNSi 2 ligands. The depletion of electron density from the Fe-coordinated N atom makes it electrophilic enough to accept the incoming aryl group. This new pathway for the N–C bond formation offers a method for functionalizing N 2 using organometallic chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Strengthening of tungsten by coherent rhenium precipitates formed during low fluence irradiation

Experimental data show that the accumulation of rhenium and osmium from transmutation reactions severely affect the microstructural evolution and property degradation of tungsten-based materials under neutron irradiation. Theory and modeling have confirmed that Re atom transport in W is by irradiation-produced migrating self-interstitial atoms. With this diffusion mode in operation, a specific microstructure evolution is realized when at relatively low neutron fluence the Re-rich precipitates are formed, while the void and interstitial loop population development is suppressed, affecting the mechanical properties. Here, this research shows the effect of small coherent Re-rich precipitates on the dislocation glide under stress, investigated using the molecular dynamics approach with empirical interatomic potentials. The results are compared with an earlier simulation of void hardening in W. It is demonstrated that small coherent Re-rich precipitates of less than 6 nm diameter represent relatively weak obstacles for moving edge dislocations. The implication of these results on the interpretation of experimental results is discussed.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Cluster adsorption on amorphous and crystalline surfaces - A molecular dynamics study of model Pt on Cu and model Pd on Pt

Molecular dynamics was used to study the structure, dispersion and short-time behavior of ten-atom clusters adsorbed onto amorphous and crystalline substrates, in which the cluster atoms differed from the substrate atoms. Two adatom-substrate model systems were chosen; one, in which the interaction energy between adatom pairs was greater than that between substrate pairs, and the other, in which the reverse was true. At relatively low temperature ranges, increased dispersion of cluster atoms occurred: (a) on the amorphous substrate as compared to the FCC(100) surface, (b) with increasing reduced temperature, and (c) with adatom-substrate interaction energy stronger than adatom-adatom interaction. Two-dimensional clusters (rafts) on the FCC(100) surface displayed migration of edge atoms only, indicating a mechanism for the cluster rotation and shape changes found in experimental studies.

Garofalini, S. H.↗
DOE OSTI2025

Mo Atom Rearrangement Drives Layer-Dependent Reactivity in Two-Dimensional MoS 2

Two-dimensional (2D) materials offer a valuable platform for manipulating and studying chemical reactions at the atomic level, owing to the ease of controlling their microscopic structure at the nanometer scale. While extensive research has been conducted on the structure-dependent chemical activity of 2D materials, the influence of structural transformation during the reaction has remained largely unexplored. In this work, we report the layer-dependent chemical reactivity of MoS 2 during a nitridation atomic substitution reaction and attribute it to the rearrangement of Mo atoms. Our results show that the chemical reactivity of MoS 2 decreases as the number of layers is reduced in the few-layer regime. In particular, monolayer MoS 2 exhibits significantly lower reactivity compared with its few-layer and multilayer counterparts. Atomic-resolution transmission electron microscopy (TEM) reveals that MoN nanonetworks form as reaction products from monolayer and bilayer MoS 2 , with the continuity of the MoN crystals increasing with layer number, consistent with the local conductivity mapping data. The layer-dependent reactivity is attributed to the relative stability of the hypothetically formed MoN phase, which retains the number of Mo atomic layers present in the precursor. Specifically, the low chemical reactivity of monolayer MoS 2 is attributed to the high energy cost associated with Mo atom diffusion and migration necessary to form multilayer Mo lattices in the thermodynamically stable MoN phase. In conclusion, this study underscores the critical role of lattice rearrangement in governing chemical reactivity and highlights the potential of 2D materials as versatile platforms for advancing the understanding of materials chemistry at the atomic scale.

Chemical reactivity↗
NASA NTRS1998

Computational Studies of the Interaction of H/H2 with Diamond and Silicon Surfaces

The interaction of hydrogen atoms and molecules with diamond and silicon surfaces is important in several important applications. Two areas that we are interested are: 1) tribology (molecular level friction) and 2) the role of H atoms in silicon chemical vapor deposition (CVD). In the tribology area, H atoms can be used to tie off dangling bonds, which otherwise form bonds between adjacent surfaces, and lead to resistance to sliding the surfaces by each other. Processes which are important in understanding molecular level friction include barriers to addition of H/H2 to the surface and barriers to migration of H atoms on the surface. In the silicon CVD area, we have studied the process of H2 elimination from the 100 surface of silicon. Cluster models for the dime surfaces of diamond are presented. The unrelaxed 100 surface has carbene like surface carbon atoms; however, for the relaxed surface these dimerize to give rows of surface dimers and there is a significant amount of p bonding between the radical orbitals of the dimer. The 110 surface has zig-zag rows of carbon atoms with a dangling bond on each carbon atom. These dangling bonds are hybridized away from each other and thus interact less strongly than for the 100 surface. Finally, the 111 surface has surface C atoms arranged in a triangular pattern and the surface dangling bonds are well separated from each other (second nearest neighbor distance) leading to almost no interaction between adjacent dangling bonds. These qualitative features may be quantified by computing the overlap of adjacent dangling bonds in a GVB(pp) calculation. The overlaps are 0.462, 0.292, and 0.016 for the diamond 100, 110, and 111 surfaces, respectively.

Walch, Stephen P.↗
DOE OSTI2025

Nanocluster Active Sites Formed on Heterogeneous Thermal Catalysts and Electrocatalysts by Operando Reactive Environments

Here, in this Viewpoint, we summarize our recent studies in this endeavor, ending with a forward-looking perspective into the remaining challenges and open questions for consideration by the catalysis community. Through a computationally efficient framework of systematically investigating metal atom ejection from and migration onto metal surfaces, leading to the formation of metal atom clusters, we show that the surface of a metal catalyst is dynamic and much less rigid than previously thought. We suggest that the operando formed metal atom clusters are novel active sites, which can dominate the activity of steps or kinks (let aside terraces) from where their constituent atoms were ejected. Through more readily responding to reaction conditions by forming catalytically active clusters, solid metal catalysts approach not only homogeneous catalyst motifs, thus establishing a bridge between homogeneous and heterogeneous catalysis, but also liquid metals which have been suggested to be better than traditional heterogeneous catalysts.

adsorption↗
DOE OSTI2025

Selenium Migration and Local Structures in Cu‐Doped CdSeTe Solar Cells after Aging

Selenium grading plays a critical role in state-of-the-art Cadmium Telluride photovoltaic cells by enhancing long-wavelength absorption and extending minority carrier lifetimes —key to enabling the current performance record of 23.08%. However, very little is understood about selenium motion. In this study, a comprehensive, multimodal, and multiscale approach is employed to investigate Se migration and local structural changes in copper (Cu)-doped CdSeTe solar cells subjected to accelerated stress. X-ray fluorescence (XRF) microscopy shows unexpected levels of Se diffusion after 500 h under heat (75°C) and light (0.8 suns, 80 mW/cm 2 ), suggesting the coexistence of fast and slow diffusion channels even at low temperatures, with unexpectedly low activation energies (<0.85 eV). X-ray Absorption Near Edge Structure (XANES) analysis indicates a preferential migration of Se atoms to anionic lattice sites and a reduction in Se-Cl co-passivation at Te-terminated dislocation cores. Furthermore, these findings point to a reconfiguration of Se local environments and highlight the potential role of extended structural defects in enabling Se transport at low temperatures. Additionally, XANES results suggest that the presence of metallic Cu across the absorber layer may contribute to back-contact degradation and reduced hole density in both fresh and aged devices.

14 SOLAR ENERGY↗
DOE OSTI2020

Investigation of the structure and chemical nature of Pd fission product agglomerations in irradiated TRISO particle SiC

Tristructural-isotropic (TRISO)-coated fuel particles are used in high-temperature gas-cooled nuclear reactors. Although the polycrystalline 3C-SiC layer acts as the main barrier to fission product release, post-irradiation examinations have shown that certain metallic fission products are found outside of the TRISO coated particle, with no observable micro-cracks or other mechanical failure feature. In this study, an atomic resolution transmission electron microscopy investigation of a SiC layer of a neutron irradiated (19.38% fissions per initial metal atom average burnup; 1072°C time-averaged temperature) TRISO-coated particle from the first advanced gas reactor experiment at Idaho National Laboratory containing mainly Pd and U was conducted. The fission product Pd was found to be present at dislocation cores associated with twins, stacking faults, and their intersections. The Pd present at the dislocation cores were bonded to Si, suggesting that the diffusion of Pd along the SiC dislocation cores involves the formation of Pd-Si bonds. Evidence of single atom grain boundary migration was also found. Fission product agglomerations at grain boundaries most likely consist of a random solid solution containing Si-FP, Si-C, and C-C type bonding arrangements. No difference in the Si- or C-bonding environment is found for the unoccupied grain boundary adjacent to a fission product agglomeration compared to the bulk SiC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗