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Creators/Authors contains: "An, Ke"

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  1. Abstract Laser powder-bed fusion (L-PBF) additive manufacturing presents ample opportunities to produce net-shape parts. The complex laser-powder interactions result in high cooling rates that often lead to unique microstructures and excellent mechanical properties. Refractory high-entropy alloys show great potential for high-temperature applications but are notoriously difficult to process by additive processes due to their sensitivity to cracking and defects, such as un-melted powders and keyholes. Here, we present a method based on a normalized model-based processing diagram to achieve a nearly defect-free TiZrNbTa alloy via in-situ alloying of elemental powders during L-PBF. Compared to its as-cast counterpart, the as-printed TiZrNbTa exhibits comparable mechanical properties but with enhanced elastic isotropy. This method has good potential for other refractory alloy systems based on in-situ alloying of elemental powders, thereby creating new opportunities to rapidly expand the collection of processable refractory materials via L-PBF. 
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    Free, publicly-accessible full text available December 1, 2025
  2. Homomeric dimerization of metabotropic glutamate receptors (mGlus) is essential for the modulation of their functions and represents a promising avenue for the development of novel therapeutic approaches to address central nervous system diseases. Yet, the scarcity of detailed molecular and energetic data on mGlu2 impedes our in-depth comprehension of their activation process. Here, we employ computational simulation methods to elucidate the activation process and key events associated with the mGlu2, including a detailed analysis of its conformational transitions, the binding of agonists, Giprotein coupling, and the guanosine diphosphate (GDP) release. Our results demonstrate that the activation of mGlu2 is a stepwise process and several energy barriers need to be overcome. Moreover, we also identify the rate-determining step of the mGlu2’s transition from the agonist-bound state to its active state. From the perspective of free-energy analysis, we find that the conformational dynamics of mGlu2’s subunit follow coupled rather than discrete, independent actions. Asymmetric dimerization is critical for receptor activation. Our calculation results are consistent with the observation of cross-linking and fluorescent-labeled blot experiments, thus illustrating the reliability of our calculations. Besides, we also identify potential key residues in the Giprotein binding position on mGlu2, mGlu2 dimer’s TM6–TM6 interface, and Gi α5 helix by the change of energy barriers after mutation. The implications of our findings could lead to a more comprehensive grasp of class C G protein-coupled receptor activation. 
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  3. In situ neutron diffraction experiments have been performed to investigate the deformation mechanisms on CoCrFeNi high entropy alloys (HEAs) with various amounts of doped Cu. Lattice strain evolution and diffraction peak analysis were used to derive the stacking fault probability, stacking fault energy, and dislocation densities. Such diffraction analyses indirectly uncovered that a lower degree of Cu doping retained the twinning behavior in undoped CoCrFeNi HEAs, while increasing the Cu content increased the Cu clusterings which suppressed twinning and exhibited prominent dislocation strengthening. These results agree with direct observations by transmission electron microscopy. 
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  4. Coarse-grained materials are widely accepted to display the highest strain hardening and the best tensile ductility. We experimentally report an attractive strain hardening rate throughout the deformation stage at 77 kelvin in a stable single-phase alloy with gradient dislocation cells that even surpasses its coarse-grained counterparts. Contrary to conventional understanding, the exceptional strain hardening arises from a distinctive dynamic structural refinement mechanism facilitated by the emission and motion of massive multiorientational tiny stacking faults (planar defects), which are fundamentally distinct from the traditional linear dislocation–mediated deformation. The dominance of atomic-scale planar deformation faulting in plastic deformation introduces a different approach for strengthening and hardening metallic materials, offering promising properties and potential applications. 
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