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At least 217 records · Page 12

A spatially-resolved model of neutron-irradiated tungsten coupling stochastic cluster dynamics and finite deformation plasticity

Structural materials used in nuclear reactors face severe degradation in mechanical properties, such as hardening and embrittlement. At the microscopic scale, this occurs due to creation and accumulation of irradiation-induced defects and their interaction with system dislocations. Although techniques exist which can model evolution of irradiation defects, for instance kinetic transport theory-based models, their interaction with mechanical deformation of the bulk material has not been investigated extensively. In this work, we demonstrate a novel spatially-resolved multiscale coupling between microscopic irradiation defect evolution, modeled using Stochastic Cluster Dynamics (SCD) and macroscopic mechanical deformation modeled using a finite-deformation plasticity model. SCD is used to determine the statistically averaged defect cluster spacing, dependent on operating conditions such as irradiation dose and temperature. This acts as an initial condition that governs the critical resolved shear stress of dislocation glide in the macroscopic plasticity model. This framework is used to predict mechanical behavior in post-mortem test of irradiated Tungsten samples, which has found its importance as structural material used in nuclear reactors. The results obtained using the coupled approach are in good agreement with experimental data of uniaxial tension tests. The model is able to capture the effect of temperature and irradiation dose on the material hardening. Two methods are proposed to estimate hardness – using Tabor's Law relating uniaxial yield stress to hardness and from flat-punch simulations. The results are in reasonable agreement with hardness data from micro-indentation experiments of irradiated Tungsten samples. Finally, the model is also able to reveal microstructural details such as spatial variation in defect density and local stress.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Deformation band corrosion as a result of applied stress and cold-work in 304 stainless steel in simulated pressurized water reactor primary water conditions

Stainless steels like 304SS are commonly used in pressurized water reactor primary water environments due to their excellent resistance to stress corrosion cracking (SCC). However, SCC susceptibility has been observed in cold-worked 304SS. Cold-rolling introduces a high density of defects, such as deformation bands or dislocations, into the microstructure; applied stress, even if macroscopically below the yield stress, can result in regions with high localized stresses. Cold-worked and non-cold-worked samples were exposed to 360 °C simulated PWR primary water for 1500 h with and without active loading. Corrosion susceptibility of dislocations and deformation bands induced by cold-rolling and/or applied stress was studied using high-resolution (analytical) transmission electron microscopy. Deformation bands were generated in all specimens examined in the study. Penetrative oxidation was observed in some deformation bands in each specimen. The depth of penetrative deformation band oxidation frequently exceeded the depth of grain boundary oxidation in all specimens. However, deformation band oxides generally were narrowly confined to the deformation band plane. Highly Ni-rich regions were observed beyond all oxidation fronts. Surface oxides were thicker in the specimens exposed under active loading. In conclusion, the implications of these findings at surfaces for deformation bands intersecting stress corrosion crack paths are discussed.

EFTEM↗

Back to functional hydrides: Effects of neutron-irradiated microstructure on hydrogen retention in yttrium hydride

Functional hydrides are promising candidates for advanced nuclear reactors, particularly in portable or transportable applications, due to their high hydrogen-retention capabilities, enabling efficient neutron moderation, and compact reactor design. However, hydrogen mobility in hydrides at elevated irradiation temperatures poses significant technological challenges, necessitating a comprehensive understanding of their irradiation behavior. Furthermore, this study investigated the microstructural and chemical stability of neutron-irradiated yttrium hydrides to assess their hydrogen-retention capacity. A targeted literature review was also conducted to contextualize neutron-irradiation effects on functional hydrides with regards to structural stability and hydrogen retention. Experimental characterizations revealed that, at high temperatures, irradiated hydrides retained their phase stability, which was likely enhanced by irradiation-induced microstructure evolution. Notably, an amorphous yttrium and oxygen -rich surface layer was present at the free surface of the hydride. Its thickness decreased while a continuous crystalline Y-O-rich layer was formed with increasing neutron damage. Additionally, the number density of dislocation loops and cavities generally increased as a function of neutron dose. First-principles calculations of hydrogen behavior within yttrium vacancy clusters in yttrium hydrides demonstrated vacancy-size-dependent hydrogen stability and configuration, highlighting the role of vacancy geometry in regulating hydrogen retention. Thus, the presence of irradiation-induced dislocation loops and cavities were hypothesized to improve hydrogen retention. Collectively, these findings advance the understanding of hydride behavior under neutron irradiation as well as their technological readiness for portable or transportable nuclear reactors.

Defect clusters↗

High energy X-ray characterization of the microstructure of PuGa alloy samples at macroscopic depths and non-ambient conditions

High energy (95 keV) X-rays were utilized to characterize the microstructure of eight PuGa alloy samples at room temperature and during cooling to ∼10 K. The samples had different Ga content (nominally 0-3.4 at.%), age, and history. A ninth sample, similarly characterized with neutron diffraction, was included to extend the Ga range to 7 at.%. The samples span the range from single phase α (monoclinic) to δ (face-centered cubic) PuGa, as well as a two-phase α′/δ sample. The crystallographic textures, phase fractions, lattice parameters and dislocation densities of each sample were evaluated through distinct analysis techniques. The textures of the samples were modest. In each case, the dislocation densities were relatively high, comparable to cold worked metals and metals exposed to similar radiation dose. At room temperature, the lattice parameters determined in the predominantly single-phase samples were larger than expected based on the nominal Ga concentration. The observed lattice thermal expansions of the single-phase δ samples to 10 K are self-consistent across the samples and consistent with previous measurements reported in the literature. Significantly larger thermal lattice strain is observed in the δ phase of the two-phase material due to mechanical constraint from the α′ phase, which has a three times larger thermal expansion and is much harder than the δ phase. In conclusion, the results demonstrate the unique value of high-energy X-rays for relatively routine microstructural characterization of Pu alloy samples.

36 MATERIALS SCIENCE↗

The influence of kinematics of deformation on polycrystalline halite dynamic recrystallization: Full-field simulation of simple shear versus pure shear

Rock salt, composed mainly of halite, flows viscoplastically over a wide range of geological conditions, strongly impacting the dynamic evolution of sedimentary basins and orogens. Understanding how dislocation creep, which involves dislocation glide, intracrystalline recovery and dynamic recrystallization, influences the microstructure and rheology of halite under various deformation kinematics and temperatures is crucial for enhancing knowledge of salt flow dynamics. Here, this study employs a full-field numerical simulation method to compare the viscoplastic deformation of polycrystalline halite under simple shear and pure shear conditions up to a natural strain of ε = 1.5 at temperatures ranging from 100 °C to 300 °C. The results are presented in terms of crystallographic preferred orientation (CPO), grain shape preferred orientation (SPO), subgrain boundary direction, grain size and strain rate distribution. The results indicate that the crystallographic anisotropy of individual halite crystals is transferred to the polycrystalline scale, resulting in strain localization, particularly in simple shear simulations. The kinematics of deformation affect the evolution and distribution of high strain-rate bands, determining the direction of intragranular substructures and the morphology of strain-induced grain boundaries, with minimal impact on grain size. The intensity of grain boundary migration increases with temperature, significantly influencing grain morphology and size, thereby obscuring strain localization, while having little effect on CPOs. At low strain (ε < 1.0), CPOs relative to both the maximum shortening direction and the grain SPO are similar regardless of the deformation kinematics. At high strain (ε > 1.0), simple shear CPOs exhibit three stronger {100} maxima with a monoclinic symmetry relative to the grain SPO compared to the six {100} maxima with an orthotropic symmetry relative to the grain SPO generated under pure shear. Therefore, microstructures and CPOs can serve as indicators of the strain path in polycrystalline halite under various conditions, aiding in determining the shear sense and elucidating the deformation kinematics of salt structures.

58 GEOSCIENCES↗

Microstructural and material property changes in severely deformed Eurofer-97

Severe plastic deformation changes the microstructure and properties of steels, which may be favourable for their use in structural components of nuclear reactors. In this study, high-pressure torsion (HPT) was used to refine the grain structure of Eurofer-97, a ferritic/martensitic steel. Electron microscopy and X-ray diffraction were used to characterise the microstructural changes. Following HPT at room temperature to a maximum shear strain of 230, the average grain size reduced by a factor of ~30, with a marked increase in high-angle grain boundaries. Dislocation density also increased by more than one order of magnitude. The thermal stability of the deformed material was investigated via in-situ annealing during synchrotron X-ray diffraction. This revealed substantial recovery between 450 K – 800 K. Irradiation with 20 MeV Fe-ions to ~0.1 dpa caused a 20% reduction in dislocation density compared to the as-deformed material. However, HPT deformation prior to irradiation only had a minor effect in mitigating the irradiation-induced reductions in thermal diffusivity and surface acoustic wave velocity of the material. Microstructural and material property changes are dominated by deformation compared to irradiation. In light of this, the benefits of using HPT to improve the irradiation resistance of Eurofer-97 are limited. These results provide a multi-faceted view of the changes in ferritic/martensitic steels due to severe plastic deformation, and how these changes can be used to alter material properties.

ion-irradiation↗

The impact of nickel concentration and stacking fault energy on deformation mechanisms in high-purity austenitic Fe-Cr-Ni alloys

Understanding how composition affects deformation mechanisms in austenitic stainless steels is essential for developing accurate predictive models of stress-induced failures and stress corrosion cracking. Nickel (Ni), an element classified as a critical element, plays a crucial role in these processes. It is important to examine how Ni concentration influences stacking fault energy (SFE) and, consequently, the deformation mechanisms of austenitic stainless steels. However, in commercial stainless steels, the effects of other alloying elements and impurities can obscure Ni's role, complicating efforts to isolate its impact. Here, in this study, we use two high-purity Fe-Cr-Ni alloys to investigate how Ni concentration and SFE interact to alter deformation mechanisms and induce martensitic transformation. By combining in situ synchrotron X-ray diffraction (XRD) tensile testing and post-mortem electron microscopy with density functional theory simulations, we gain precise insights into these phenomena. We find that the Fe18Cr10Ni (wt%) alloy, with its low SFE, exhibits higher stacking fault probability, deformation-induced martensitic transformation, and a lesser increase in dislocation density with plastic strain. In contrast, the Fe18Cr14Ni (wt%) alloy, with its higher SFE, shows enhanced deformation twinning and greater dislocation density with increasing strain. These findings from high-purity ternary alloys provide valuable insights that can guide the search for alternative elements to replace Ni while achieving similar effects on phase stability and deformation behavior.

36 MATERIALS SCIENCE↗

Elucidating microstructural evolution and hardness variation across friction self-piercing riveted Al-7055 using synchrotron X-ray scattering and advanced microscopy techniques

Friction self-piercing riveting (FSPR) is a unique hybrid joining technique that combines the advantages of mechanical interlocking, frictional heat, and solid-state joining (if metallurgically compatible) to produce crack free joints in high strength and/or low-ductility alloys at room temperature. Here, in the current study, Al-7055 sheets were joined using FSPR for lightweight automotive applications and significant microhardness variations were observed across the joint cross-section. A detailed microstructural characterization at multiple length scales was carried out using advanced electron microscopy and X-ray scattering techniques to provide a fundamental understanding of the process-structure-property relationships. The relative contributions of microstructural characteristics at various length scales (i.e., grain size, dislocation density, solute concentration, precipitate nature) to strengthening were estimated using existent formulations (i.e., Hall-Petch, Taylor, precipitate bypass/shear equations) and correlated to the observed microhardness values across different regions. Small-angle X-ray scattering and scanning transmission electron microscopy revealed significant changes in the size and volume fraction of precipitate species, i.e., GP-I Zones, η′, and Mg/Zn solute co-clusters, depending on the process region. It was observed that the dissolution of the small η′/GP-I zones (T ∼ 150–200 °C) in the heat-affected zone were the key reason for the hardness drop. Further, it was shown that solid-solution, dislocation, grain size and solute co-cluster strengthening played a key role in the thermo-mechanically affected zone and grain-refined zone (GRZ). Finally, these observations were leveraged along with the Zener-Holloman relationship and grain size in the GRZ to estimate the peak joining temperature of the GRZ (∼ 350 °C) near the steel rivet.

aluminum 7xxx alloy↗

Influence of high-strain-rate compression and subsequent heat treatment on (TiNbZr) 89 (AlTa) 11 refractory high-entropy alloys: Dynamic-mechanical behavior and microstructural changes

This study explored the dynamic-mechanical behavior of a novel low-density (TiNbZr) 89 (AlTa) 11 refractory high-entropy alloy (RHEA) across strain rates ranging from 1.0×10 3 to 3.5×10 3 s –1 . A significant increase in the yield and ultimate compressive strengths with rising strain rates up to 3.0×10 3 s –1 was observed and attributed to enhanced dislocation activities and stress-induced microstructural transformations. The formation of the B2 phase and Zr 5 Al 3 precipitates was found to be crucial in bolstering the alloy strength at high strain rates. Beyond strain rates of 3.0×10 3 s –1 , a decrease in strength occurred due to thermal softening and strain localization. Microstructural analyses at 3.5×10 3 s –1 revealed grain refinement, the development of micro shear bands, and dislocation tangles, which were indicative of dynamic recrystallization. Besides, the findings also revealed that the post-dynamic compression heat treatment further enhanced the hardness and microstructural stability of the alloy. These results highlight the potential of the (TiNbZr) 89 (AlTa) 11 RHEA for applications requiring materials with high strength-to-weight ratios, particularly in dynamically loaded environments. It is expected that the results of this study will further advance our fundamental understanding of the behavior of RHEAs under extreme conditions, thereby opening new avenues for material innovation.

36 MATERIALS SCIENCE↗

Quantification of solution annealing effects on microstructure and property in a laser powder bed fusion 316H stainless steel

Solution annealing (SA) is an effective way to mitigate microstructural heterogeneity and to optimize mechanical performance of alloys manufactured by laser powder bed fusion (LPBF). In this study, a comprehensive and quantitative understanding of the recovery and recrystallization processes in the SA temperature range of LPBF 316H stainless steel is provided using results from analytical electron microscopy and in-situ high-energy synchrotron x-ray scattering. The profound effect of dislocation structures and secondary phase particles on mechanical performance, particularly under tension and creep conditions, is rationalized using deformation models that incorporate microstructural inputs. This study, for the first time, quantifies the broad effect of nano oxide inclusions on dislocation recovery kinetics, on grain growth and recrystallization kinetics, and on tension strength and creep resistance. The fundamental differences between the LPBF and the conventional wrought materials are revealed. The findings address critical questions in post-build processing of AM materials and pave the way for their rapid qualification for high temperature applications.

In-situ X-ray diffraction↗

Machine learning-enabled multiscale modeling of mechanical deformation of aluminum and Al-SiC nanocomposites

A machine learning-enabled multiscale framework is developed for modeling the mechanical response of both pure metal and nanoparticle-reinforced metal matrix nanocomposites (MMNCs). Using aluminum–silicon carbide (Al-SiC) as an example MMNC, atomistic simulations reveal three distinct deformation mechanisms (i.e., defect-free, dislocation-based, and interface separation) governed by the interfaces between the Al matrix and SiC nanoparticles. As compared with single crystal Al, the lattice undergoes a more abrupt failure once the dislocation network becomes extensive and void nucleation initiates, whereas in Al-SiC, nanoparticle interfaces enable a more gradual progression of damage. These mechanisms are captured through a combined classification-regression neural network surrogate model that bridges atomic-scale insights with continuum-scale finite element analysis. Machine learning-enabled multiscale modeling of pure Al accurately predicted strain localization and confirmed by in-situ scanning electron microscopic tensile testing on perforated Al specimens. This study underscores the promise of integrating physics-informed machine learning with hierarchical modeling to capture the interface dominated phenomena and guide the design of advanced MMNCs.

Al-SiC↗

Crystal plasticity modeling and analysis for the transition from intergranular to transgranular failure in nickel-based alloy Inconel 740H at elevated temperature

The precipitation-strengthened Nickel alloy Inconel® 740H® (IN740H) exhibits increased ductility at higher applied strain rates during quasi-static tensile tests at an elevated temperature of 760°C. The examination of fracture surfaces in this context reveals a noteworthy transition of underlying fracture mechanisms from transgranular to intergranular fracture as the applied strain rate decreases from 1×10 -3 / s to 0.83×10 -4 / s . To thoroughly understand the mechanical response of IN740H under these conditions, this study develops a crystal plasticity finite element (CPFE) model. Further, this model incorporates various deformation mechanisms including dislocation slips, climb, and grain boundary sliding, which are relevant to the test conditions. The model is calibrated using data from both tensile tests at different strain rates and creep tests across a broad stress range at 760°C, enabling the accurate determination of model parameters for each mechanism. Simulation results well captured the experimental observations of different failure modes. At higher strain rates, the model shows a dominance of dislocation slip leading to heterogeneous plastic deformation and formation of transgranular shear bands causing the failure, while at lower strain rates, an increased activity of grain boundary sliding causes grain boundaries crack leading to intergranular failure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Co-, Ni- and Fe-rich grain-boundary phases enhance creep resistance in θ'-strengthened Al-Cu alloys

Here, microstructural evolution and creep response were investigated in the cast Al-5.0Cu-0.3Mn-0.2Zr (wt.%) alloy with and without addition of slow-diffusing, intermetallic-forming elements Fe, Ni, or Co. Baseline Al-5.0Cu-0.3Mn-0.2Zr alloy exhibits high creep resistance at 300 °C, up to ~75 MPa, which is attributed to high-aspect-ratio, intragranular θ'-Al 2 Cu precipitates that effectively suppress dislocation climb. However, θ'-Al 2 Cu precipitate-free zones form along grain boundaries upon heat treatment, whose extent is amplified during subsequent creep. Such weak regions experience dislocation creep, leading to strain localization and acceleration of grain-boundary sliding. Adding Ni and Co, individually or in combination, leads to the formation of grain-boundary precipitates (Al 9 Co 2 , Al 3 Ni 2 ) which are resistant to coarsening, thus suppressing the formation of θ'-Al 2 Cu precipitate-free zones. This microstructure provides high creep resistance at stresses up to 75–80 MPa, with strain rates much lower than in unmodified Al-5.0Cu-0.3Mn-0.2Zr. Adding Fe, which results in extensive decoration of grain boundaries with coarsening-resistant Al 7 Cu 2 Fe, and then increasing the Cu content to compensate for the Cu loss to this new phase, leads to a new Al-7.4Cu-1.6Fe-0.3Mn-0.2Zr alloy with creep resistance at 300 °C that surpasses known cast aluminum alloys. Adding Fe to improve the creep resistance of Al-Cu alloys is both cost-effective and sustainable. Our findings offer guidelines applicable to various alloy systems on controlling the evolution of precipitate-free zones and its ensuing effects on creep deformation.

36 MATERIALS SCIENCE↗

Mechanical properties and strengthening mechanisms of cold sprayed Al-Mg alloys

This paper investigates the mechanical properties and strengthening mechanisms of cold sprayed Al-Mg alloys as a function of Mg content. Cold spray (CS) is a solid-state deposition process that can be used as a repair technique for structural components. However, the limited ductility of cold sprayed materials is an unsettled issue in CS community. Herein, reproducible, and significantly increased elongation to failure (∼15%) in as-deposited conditions is reported in CS Al-Mg binary alloys with low Mg content (≤ 2.5 wt%). Furthermore, reducing Mg content down to 2.5 wt% in CS Al-Mg binary alloys demonstrated comparable mechanical strength to its wrought counterparts. Strengthening mechanisms were analyzed in wrought and CS Al-Mg alloys based upon microstructural characteristics, such as grain size, Mg solute concentration, and dislocation density. A quantitative evaluation of yield strength revealed that grain boundary strengthening is predominant in CS Al-Mg alloys as compared with their wrought counterparts. When comparing among CS Al-Mg binary alloys of different compositions, Mg solute concentration, and dislocation density governed mechanical strength. In conclusion, the underlying mechanism for the variation of mechanical properties and strengthening mechanisms is discussed in terms of these microstructural characteristics.

Additive manufacturing↗

Complexity of segregation behavior at localized deformation sites formed while in service in a 316 stainless steel baffle-former bolt

Here, post-irradiation evaluation was performed on a 316 stainless steel baffle former bolt harvested after 40 years of service in a pressurized water reactor. Microstructure analysis revealed the presence of defect-free dislocation channels and strain-induced twins, indicative of loading at a stress level close to yield stress at least once while in service. Primary radiation-induced Ni/Si precipitates were destroyed during channel and twin formation, and secondary, significantly coarser Ni/Si precipitates formed along newly formed Σ3 boundaries during the continued irradiation. Additionally, an elevated phosphorus level was observed inside the strain-induced twin. Complex chemistry inside the strain-induced feature may overlap with dislocation pileups and impact localized corrosion, material long-term performance, and safety.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

In situ TEM annealing of neutron-irradiated Ti reveals a two-stage mechanism for elevated temperature radiation damage recovery

Understanding how irradiation-induced defects evolve at elevated temperatures is of critical importance to predicting materials' behavior under steady-state and accident scenarios. However, such mechanistic insight into microstructural evolution is limited by the nature of ex situ annealing and subsequent imaging. Here we show direct observation and quantification of defect recovery in neutron-irradiated Ti using in situ transmission electron microscopy (TEM) annealing experiments. In agreement with our prior work, and at temperatures below the irradiation temperature (T irr = 300 °C), dislocation loops are observed to glide. At elevated temperatures (>500 °C), dislocation lines become mobile and promote significant recovery of the microstructure. These mechanisms challenge the established electron irradiation-based model for radiation damage recovery, which originally suggests dissolution of static defect clusters, and demonstrates the importance of in situ characterization in understanding defect evolution in irradiated materials.

Hirst, Charles A. [Univ. of Michigan, Ann Arbor, M↗

Response to the comments on creep-induced elemental redistribution at grain boundaries of 304L stainless steel – An experimental evidence for diffusional creep mechanisms

Sandström and He reanalyzed our 304L creep data (Acta Materialia 121137, 2025) at 10 MPa/750 °C and proposed that: (i) primary dislocation creep dominates based on the ϕ -model; (ii) measured creep rates deviate from published 304H data and Coble creep predictions using literature grain boundary (GB) diffusivity; and (iii) creep-induced elemental redistribution (CIER) could be explained by dislocation emission/absorption (DEAA) and GB creep (GBC), as opposed to diffusional creep. Here, in this response, we propose that: (i) the creep behavior at 15 MPa/750 °C—for which we demonstrated CIER—is only partially captured by the ϕ -model; (ii) direct comparison between 304L and 304H creep data is inappropriate due to carbides in 304H, and Coble creep predictions estimated from CALPHAD-based bulk diffusivity span experimental rates; and (iii) CIER exhibits distinct fingerprint for diffusional creep characterized by anisotropy and stress orientation dependence whereas neither DEAA nor GBC have been mechanistically substantiated.

36 - MATERIALS SCIENCE↗

Extending Interfaces in 3D to Achieve Superior Nanoscale Strength in Ti/Nb Nanolaminates

Tuning the atomic-level structure of nanolaminates enables high strength, increased deformability, and the ability to absorb and mitigate damage due to varied crystalline defects, including dislocations. Here, we present the enhanced strength of Ti/Nb nanolaminates containing thick 3D interfaces (3DIs), relative to their chemically abrupt 2D counterparts. We examine the effects of crystallographic alignment and compositional gradients on mechanical behavior via experiments and phase-field-dislocation dynamics (PFDD) modeling. Mechanical testing reveals that nanolaminates containing thicker 3DIs demonstrate a 28% hardness enhancement compared with sharp-interface nanolaminates. PFDD modeling shows that the critical resolved shear stress (CRSS) increases with the 3DI thickness. Gradual compositional transitions in 3DIs were confirmed via scanning transmission electron microscopy and high-resolution transmission electron microscopy, showing sharp crystallographic transitions and a heightened interface topography. The findings establish a positive function between the 3DI thickness and mechanical robustness for hexagonal-closest-packed-containing composites, emphasizing the role of defect–interface interactions in tailoring the mechanical performance and providing a foundation for future interfacial engineering.

36 MATERIALS SCIENCE↗