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Permanent magnets draw their properties from a complex interplay, across multiple length scales, of the composition and distribution of their constituting phases, that act as building blocks, each with their associated intrinsic properties. Gaining a fundamental understanding of these interactions is hence key to decipher the origins of their magnetic performance and facilitate the engineering of better-performing magnets, through unlocking the design of the "perfect defects" for ultimate pinning of magnetic domains. Here, we deployed advanced multiscale microscopy and microanalysis on a bulk Sm2(CoFeCuZr)17 pinning-type high-performance magnet with outstanding thermal and chemical stability. Making use of regions with different chemical compositions, we showcase how both a change in the composition and distribution of copper, along with the atomic arrangements enforce the pinning of magnetic domains, as imaged by nanoscale magnetic induction mapping. Micromagnetic simulations bridge the scales to provide an understanding of how these peculiarities of micro- and nanostructure change the hard magnetic behaviour of Sm2(CoFeCuZr)17 magnets. Unveiling the origins of the reduced coercivity allows us to propose an atomic-scale defect and chemistry manipulation strategy to define ways toward future hard magnets.

Climate change motivates the search for non-carbon-emitting energy generation and storage solutions. Metal hydrides show promising characteristics for this purpose. They can be further stabilized by tailoring the negative pressure of microstructural and structural defects. Using systematic ab initio and atomistic simulations, we demonstrate that an enhancement in the formation of hydrides at the negatively pressurized crack tip region is feasible by increasing the mechanical tensile load on the specimen. The theoretical predictions have been used to reassess and interpret atom probe tomography experiments for a high-strength 7XXX-aluminium alloy that show a substantial enhancement of hydrogen concentration at structural defects near a stress-corrosion crack tip. These results contain important implications for enhancing the capability of metals as H-storage materials., Comment: 22 pages, 9 figures

Hydrogen embrittlement in Zr alloy fuel cladding is a primary safety concern for water based nuclear reactors. Here we investigated the stabilisation of planar defects within the forming hydrides by Sn, the primary alloying element of Zircaloy-4 used in the cladding. In order to explain formation of hydrides and planar defects observed in our experiments, we performed atomic-scale ab initio calculations focusing on the solute interactions with generalized stacking faults in hcp $\alpha$-Zr and fcc zirconium hydrides. Our calculations showed that an increase in Sn concentration leads to a stabilisation of stacking faults in both $\alpha$-Zr and hydride phases. However, the solution enthalpy of Sn is lower in the $\alpha$-Zr as compared to the other hydride phases indicative of two competing processes of Sn depletion/enrichment at the Zr hydride/matrix interface. This is corroborated by experimental findings, where Sn is repelled by hydrides and is mostly found trapped at interfaces and planar defects indicative of stacking faults inside the hydride phases. Our systematic investigation enables us to understand the presence and distribution of solutes in the hydride phases, which provides a deeper insight into the microstructural evolution of such alloy's properties during its service lifetime., Comment: 17 pages, 8 figures

The original version of this Article omitted a reference to previous work in “Chae, B. G. et al. Evolution and expansion of Li concentration gradient during charge–discharge cycling. Nat Commun 12, 3814 (2021)”. This has been added as reference [14] at “Chae et al. combined... [14]”. This has been corrected in the PDF and HTML versions of the Article. © 2021 The Author(s).

Advanced characterisation techniques were used on LPBF Ti-6Al-4V samples produced on a heated base plate. When the substrate temperature is 100{\deg}C the elongation is 6\%, which increases and peaks at 10\% at 570{\deg}C, then sharply decreases to zero ductility at 770{\deg}C. At 100{\deg}C, a heavily strained and twinned microstructure, primarily composed of {\alpha}+{\alpha}', was observed and it was comparable to asbuilt microstructures obtained by conventional LPBF methods. At higher temperatures, twins are no longer present and instead nano-scale {\beta} precipitates are observed within {\alpha}' and {\alpha}, as well as dislocation networks (570{\deg}C) and tangles (770{\deg}C). Solute segregation at crystal defects was observed in all pre-heating conditions. Al and V segregation at microtwins was observed in the 100{\deg}C sample, reporting for the first time `selective' and mutually exclusive Al- and V-rich regions forming in adjacent twins. V segregation at dislocations was observed in the 570{\deg}C and 770{\deg}C samples, consistent with the higher preheating temperatures. High O contents were measured in all samples but with apparent opposing effects. At 100{\deg}C and 570{\deg}C was estimated to be below the critical threshold for O embrittlement and locally aids in maintaining a strength high by solid solution strengthening, whereas at 770{\deg}C it was above the threshold, therefore failing in a brittle fashion. Based on these observations, the initial increase in ductility from 100{\deg}C to 570{\deg}C is attributed to a reduction in microtwins and the dislocation networks acting as `soft barriers' for slip within a coarser microstructure. The lack of ductility at 770{\deg}C was attributed to local solute redistribution causing dislocation pinning and an increase of O content in this sample.

The softening and strengthening contributions in pre-deformed and aged Al-Mg-Cu alloys containing 3wt.%Mg and 0.5wt.%Cu are evaluated by a combination of microscopy, mechanical testing and modelling. A refined phenomenological model for the work hardening response, accounting for the separate effects of recovery and precipitation, is shown to be suitable for an unambiguous determination of the precipitation hardening contribution in these alloys. Significantly, it is found that the mechanical response of these alloys is not strongly impacted by Cu content (in the low Cu content regime), pre-deformation level or aging temperature meaning that the alloys are robust with respect to variations in composition. This is interesting from the perspective of alloy design concepts based on `recycling friendly' compositions in applications that include paint-baking., Comment: 33 pages, 10 figures

To understand the mechanisms by which Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, a combination of experimental (atom probe tomography, x-ray diffraction and thermoelectric power measurements) and modelling (density functional theory) techniques are employed to investigate the non-equilibrium solubility and clustering of Fe and Cr in binary Zr alloys. Cr occupies both interstitial and substitutional sites in the ��-Zr lattice, Fe favours interstitial sites, and a low-symmetry site that was not previously modelled is found to be the most favourable for Fe. Lattice expansion as a function of alloying concentration (in the dilute regime) is strongly anisotropic for Fe additions, expanding the $c$-axis while contracting the $a$-axis. Defect clusters are observed at higher solution concentrations, which induce a smaller amount of lattice strain compared to the dilute defects. In the presence of a Zr vacancy, all two-atom clusters are more soluble than individual point defects and as many as four Fe or three Cr atoms could be accommodated in a single Zr vacancy. The Zr vacancy is critical for the increased solubility of defect clusters, the implications for irradiation induced microstructure changes in Zr alloys are discussed., 15 pages including figure, 9 figures, 2 tables. Submitted for publication in Acta Mater, Journal of Nuclear Materials (2015)

Due to their graphene-like properties after oxygen reduction, incorporation of graphene oxide (GO) sheets into correlated-electron materials offers a new pathway for tailoring their properties. Fabricating GO nanocomposites with polycrystalline MgB2 superconductors leads to an order of magnitude enhancement of the supercurrent at 5 K/8 T and 20 K/4 T. Herein, we introduce a novel experimental approach to overcome the formidable challenge of performing quantitative microscopy and microanalysis of such composites, so as to unveil how GO doping influences the structure and hence the material properties. Atom probe microscopy and electron microscopy were used to directly image the GO within the MgB2, and we combined these data with computational simulations to derive the property-enhancing mechanisms. Our results reveal synergetic effects of GO, namely, via localized atomic (carbon and oxygen) doping as well as texturing of the crystals, which provide both inter- and intra-granular flux pinning. This study opens up new insights into how low-dimensional nanostructures can be integrated into composites to modify the overall properties, using a methodology amenable to a wide range of applications. © 2014 the Partner Organisations.