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Author: Fähler, Sebastian × Type: Text × Publisher: Amsterdam [u.a.] : Elsevier Science × WGL Institute: IFWD ×

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    Constrained incipient phase transformation in Ni-Mn-Ga films: A small-scale design challenge
    (Amsterdam [u.a.] : Elsevier Science, 2023) Fareed, Adnan; Rosalie, Julian M.; Kumar, Sourabh; Kar, Satyakam; Hickel, Tilmann; Fähler, Sebastian; Maaß, Robert
    Ni-Mn-Ga shape-memory alloys are promising candidates for large strain actuation and magnetocaloric cooling devices. In view of potential small-scale applications, we probe here nanomechanically the stress-induced austenite–martensite transition in single crystalline austenitic thin films as a function of temperature. In 0.5 µm thin films, a marked incipient phase transformation to martensite is observed during nanoindentation, leaving behind pockets of residual martensite after unloading. These nanomechanical instabilities occur irrespective of deformation rate and temperature, are Weibull distributed, and reveal large spatial variations in transformation stress. In contrast, at a larger film thickness of 2 μm fully reversible transformations occur, and mechanical loading remains entirely smooth. Ab-initio simulations demonstrate how an in-plane constraint can considerably increase the martensitic transformation stress, explaining the thickness-dependent nanomechanical behavior. These findings for a shape-memory Heusler alloy give insights into how reduced dimensions and constraints can lead to unexpectedly large transformation stresses that need to be considered in small-scale actuation design.
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    Structural transformations among austenite, ferrite and cementite in Fe-C alloys: A unified theory based on ab initio simulations
    (Amsterdam [u.a.] : Elsevier Science, 2015) Zhang, Xie; Hickel, Tilmann; Rogal, Jutta; Fähler, Sebastian; Drautz, Ralf; Neugebauer, Jörg
    Structural transformations in Fe–C alloys are decisive for the mechanical properties of steels, but their modeling remains a challenge due to the simultaneous changes in Fe lattice and redistribution of C. With a combination of the orientation relationships between austenite, ferrite and cementite, we identify a metastable intermediate structure (MIS), which can serve as a link between the three phases. Based on this framework, different mechanisms depending on the local conditions (C concentration, strain, magnetism) are revealed from ab initio nudged elastic band simulations, which allow us to construct a unified theory for the structural transformations among austenite, ferrite and cementite.