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AbstractManaging, processing, and sharing research data and experimental context produced on modern scientific instrumentation all present challenges to the materials research community. To address these issues, two MaRDA Working Groups on FAIR Data in Materials Microscopy Metadata and Materials Laboratory Information Management Systems (LIMS) convened and generated recommended best practices regarding data handling in the materials research community. Overall, the Microscopy Metadata Group recommends (1) instruments should capture comprehensive metadata about operators, specimens/samples, instrument conditions, and data formation; and (2) microscopy data and metadata should use standardized vocabularies and community standard identifiers. The LIMS Group produced the following guides and recommendations: (1) a cost and benefit comparison when implementing LIMS; (2) summaries of prerequisite requirements, capabilities, and roles of LIMS stakeholders; and (3) a review of metadata schemas and information-storage best practices in LIMS. Together, the groups hope these recommendations will accelerate breakthrough scientific discoveries via FAIR data. Impact statementWith the deluge of data produced in today’s materials research laboratories, it is critical that researchers stay abreast of developments in modern research data management, particularly as it relates to the international effort to make data more FAIR – findable, accessible, interoperable, and reusable. Most crucially, being able to responsibly share research data is a foundational means to increase progress on the materials research problems of high importance to science and society. Operational data management and accessibility are pivotal in accelerating innovation in materials science and engineering and to address mounting challenges facing our world, but the materials research community generally lags behind its cognate disciplines in these areas. To address this issue, the Materials Research Coordination Network (MaRCN) convened two working groups comprised of experts from across the materials data landscape in order to make recommendations to the community related to improvements in materials microscopy metadata standards and the use of Laboratory Information Management Systems (LIMS) in materials research. This manuscript contains a set of recommendations from the working groups and reflects the culmination of their 18-month efforts, with the hope of promoting discussion and reflection within the broader materials research community in these areas. Graphical abstract 

Abstract In alignment with the Materials Genome Initiative and as the product of a workshop sponsored by the US National Science Foundation, we define a vision for materials laboratories of the future in alloys, amorphous materials, and composite materials; chart a roadmap for realizing this vision; identify technical bottlenecks and barriers to access; and propose pathways to equitable and democratic access to integrated toolsets in a manner that addresses urgent societal needs, accelerates technological innovation, and enhances manufacturing competitiveness. Spanning three important materials classes, this article summarizes the areas of alignment and unifying themes, distinctive needs of different materials research communities, key science drivers that cannot be accomplished within the capabilities of current materials laboratories, and open questions that need further community input. Here, we provide a broader context for the workshop, synopsize the salient findings, outline a shared vision for democratizing access and accelerating materials discovery, highlight some case studies across the three different materials classes, and identify significant issues that need further discussion. Graphical abstract 

AlxCoCrFeNi High Entropy Alloys (HEAs), also referred to as multiprincipal element alloys, have attracted significant interest due to their promising mechanical and structural properties. Despite these attributes, AlxCoCrFeNi HEAs are susceptible to phase separation, forming a wide range of secondary phases upon aging, including NiAl–B2 and Cr-rich phases. Controlling the formation of these phases will enable the design of age-hardenable alloys with optimized corrosion resistance. In this study, we examine the critical role of Al additions and their concentration on the stability of the CoCrFeNi base alloy, uncovering the connections between Al composition and the resulting microstructure. Addition of 0.1 mol fraction of Al destabilizes the single-phase microstructure and results in the formation of Cr-rich body-centered-cubic (bcc) phases. Increasing the composition of Al (0.3–0.5 mol fraction) results in the formation of more complex coprecipitates, NiAl–B2 and Cr-rich bcc. Interestingly, we find that the increase of the Al content stimulates the formation of NiAl–B2 phases, increases the overall density of secondary phases, and influences the content of Cr in Cr-rich bcc phases. Density functional theory calculations of simple decomposition reactions of AlxCoCrFeNi HEAs corroborate the tendency for precipitate formation of these phases upon increased Al composition. Additionally, these calculations support previous results, indicating the base CoCrFeNi alloy to be unstable at low temperature. This work provides a foundation for predictive understanding of phase evolution, opening the window toward designing innovative alloys for targeted applications. 

Abstract Control of surface functionalization of MXenes holds great potential, and in particular, may lead to tuning of magnetic and electronic order in the recently reported magnetic Cr₂TiC₂T_x. Here, vacuum annealing experiments of Cr₂TiC₂T_xare reported with in situ electron energy loss spectroscopy and novel in situ Cr K‐edge extended energy loss fine structure analysis, which directly tracks the evolution of the MXene surface coordination environment. These in situ probes are accompanied by benchmarking synchrotron X‐ray absorption fine structure measurements and density functional theory calculations. With the etching method used here, the MXene has an initial termination chemistry of Cr₂TiC₂O_1.3F_0.8. Annealing to 600 °C results in the complete loss of F, but O termination is thermally stable up to (at least) 700 °C. These findings demonstrate thermal control of F termination in Cr₂TiC₂T_xand offer a first step toward termination engineering this MXene for magnetic applications. Moreover, this work demonstrates high energy electron spectroscopy as a powerful approach for surface characterization in 2D materials.