Liquid lead (Pb)- and lead–bismuth eutectic (LBE)-cooled fast neutron reactors (Gen-IV LFRs) are one of the most technologically mature fission reactor technologies, due to their inherent safety, ...high power density, and ability to burn nuclear waste. Accelerator-driven systems (ADS), in particular, promise to address the issues of long-lived radiotoxic nuclear waste, emerging uranium ore shortages, and the ever-increasing demand for energy. However, the conditional compatibility of conventional structural materials, such as steels, with liquid Pb and liquid LBE is still an important concern for the deployment of these advanced nuclear reactor systems, making the environmental degradation of candidate structural and fuel cladding steels the main impediment to the construction of Gen-IV LFRs, including ADS. This article presents a comprehensive review of the current understanding of environmental degradation of materials in contact with liquid Pb and liquid LBE, with a focus on the underlying mechanisms and the factors affecting liquid metal corrosion (LMC) and liquid metal embrittlement (LME), which are the two most important materials degradation effects. Moreover, this article addresses the most promising LMC and LME mitigation approaches, which aim to suppress their adverse influence on materials performance. An outlook of the needed future work in this field is also provided.
While glasses are ubiquitous in natural and manufactured materials, the atomic-level mechanisms governing their deformation and how these mechanisms relate to rheological behavior are still open ...questions for fundamental understanding. Using atomistic simulations spanning nearly 10 orders of magnitude in the applied strain rate we probe the atomic rearrangements associated with 3 characteristic regimes of homogeneous and heterogeneous shear flow. In the low and high strain-rate limits, simulation results together with theoretical models reveal distinct scaling behavior in flow stress variation with strain rate, signifying a nonlinear coupling between thermally activated diffusion and stress-driven motion. Moreover, we find the emergence of flow heterogeneity is closely correlated with extreme values of local strain bursts that are not readily accommodated by immediate surroundings, acting as origins of shear localization. The atomistic mechanisms underlying the flow regimes are interpreted by analyzing a distance matrix of nonaffine particle displacements, yielding evidence of various barrier-hopping processes on a fractal potential energy landscape (PEL) in which shear transformations and liquid-like regions are triggered by the interplay of thermal and stress activations.
Molecular processes of creep in metallic glass thin films are simulated at experimental timescales using a metadynamics-based atomistic method. Space–time evolutions of the atomic strains and ...nonaffine atom displacements are analyzed to reveal details of the atomic-level deformation and flow processes of amorphous creep in response to stress and thermal activations. From the simulation results, resolved spatially on the nanoscale and temporally over time increments of fractions of a second, we derive a mechanistic explanation of the well-known variation of creep rate with stress. We also construct a deformation map delineating the predominant regimes of diffusional creep at low stress and high temperature and deformational creep at high stress. Our findings validate the relevance of two original models of the mechanisms of amorphous plasticity: one focusing on atomic diffusion via free volume and the other focusing on stress-induced shear deformation. These processes are found to be nonlinearly coupled through dynamically heterogeneous fluctuations that characterize the slow dynamics of systems out of equilibrium.
Structure–property relationships are the foundation of materials science and are essential for predicting material response to driving forces, managing in-service material degradation, and ...engineering materials for optimal performance. Elastic, thermal, and acoustic properties provide a convenient gateway to directly or indirectly probe materials structure across multiple length scales. This article will review how using the laser-induced transient grating spectroscopy (TGS) technique, which uses a transient diffraction grating to generate surface acoustic waves and temperature gratings on a material surface, nondestructively reveals the material’s elasticity, thermal diffusivity, and energy dissipation on the sub-microsecond time scale, within a tunable subsurface depth. This technique has already been applied to many challenging problems in materials characterization, from analysis of radiation damage, to colloidal crystals, to phonon-mediated thermal transport in nanostructured systems, to crystal orientation and lattice parameter determination. Examples of these applications, as well as inferring aspects of microstructural evolution, illustrate the wide potential reach of TGS to solve old materials challenges and to uncover new science. We conclude by looking ahead at the tremendous potential of TGS for materials discovery and optimization when applied in situ to dynamically evolving systems.
The challenge to link understanding and manipulation at the microscale to functional behaviour at the macroscale defines the frontiers of mesoscale science.
The effects of ionizing radiation on materials often reduce to "bad news". Radiation damage usually leads to detrimental effects such as embrittlement, accelerated creep, phase instability, and ...radiation-altered corrosion. Here we report that proton irradiation decelerates intergranular corrosion of Ni-Cr alloys in molten fluoride salt at 650 °C. We demonstrate this by showing that the depth of intergranular voids resulting from Cr leaching into the salt is reduced by proton irradiation alone. Interstitial defects generated from irradiation enhance diffusion, more rapidly replenishing corrosion-injected vacancies with alloy constituents, thus playing the crucial role in decelerating corrosion. Our results show that irradiation can have a positive impact on materials performance, challenging our view that radiation damage usually results in negative effects.
Radiation-induced void swelling is a serious mode of degradation in nuclear structural materials. Much effort has been spent to predict swelling resistance, with the goal of increasing the void ...swelling incubation dose so as to postpone the consequences of radiation damage. However, this trial-and-error approach is highly inefficient due to the time- and resource-intensive nature of both experiments and physics-based multiscale simulations. In this work, as a first attempt, machine learning is applied to perform this prediction based on available experimental data. Of the multiple techniques applied, the gradient boosting ensemble method best predicts experimental onset doses for swelling in test datasets, and identifies the main contributing factors such as temperature, Fe and Cr content, and dose rate, which are consistent with established understanding. This work demonstrates the feasibility of machine learning to predict macroscale radiation effects based on material and environmental parameters, and has practical significance in guiding further material optimization for nuclear applications.
●First application of machine learning (ML) to predict the onset of swelling.●ML delivers promising results just based on material and environmental parameters.●Model determined key factors are consistent with established understandings.
Nanocrystalline materials with a high density of grain boundaries have long been reported to alleviate radiation damage. However, a full mechanistic understanding of defect reduction, particularly ...the interaction mechanisms between grain boundaries and clustered defects during irradiation, remains an open question. Here we present atomistic simulations of prolonged radiation damage evolution in Cu bicrystals with increasing radiation dose. Our results reveal the atomic details of defect nucleation and migration, and the mechanisms for the annihilation of defect clusters during irradiation. Stacking fault tetrahedra formed due to radiation damage cascades show preferential migration to irradiated grain boundary. Interstitial-loaded grain boundaries are observed to be dynamically resilient, and persistently interact with the stacking fault tetrahedra, revealing a self-healing response to radiation damage. The results show a synergistic effect of grain boundaries on defect annihilation at small grain spacings of less than 6 nm, giving rise to a drastic decrease in the density of defect clusters. These findings, along with the mechanistic insights, present an integrated perspective on interface-mediated damage reduction in radiation-resistant nanomaterials.
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Nanostructured materials with amorphous intergranular films (AIFs) have demonstrated superior strength and ductility. Their radiation tolerance is expected to be high as the large ...fraction of interfacial volume efficiently sinks radiation-induced defects. Here we demonstrate how a crystalline-amorphous system (nanocrystalline Cu with Zr-doped AIFs) responds to continuous irradiation with molecular dynamics simulations. We propose a diffusion model that well characterizes the cascade-driven mixing process, and reveal that the spread of Zr distribution scales linearly with the damage level. The exceptional radiation resistance is attributed to the interfaces acting as sustainable defect sinks, Zr mixing into the bulk to enhance local defect annihilation due to solute-interstitial dragging, and Zr impeding radiation-enhanced grain growth by restraining AIFs from migration and maintaining interface stiffness. These findings suggest that AIF-engineered systems hold promise as highly radiation-tolerant materials with strong structural stability and self-healing capability under radiation damage.
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