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Atomistic insights into tension–compression asymmetry of a V/Fe bilayer (with a semi-coherent interface)

S. Hamdani, S. Abdeslam, R. Janisch, A. Hartmaier

Computational Condensed Matter, 47, e01310, (2026)

DOI: 10.1016/j.cocom.2026.e01310

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Understanding how interfaces influence the mechanical behaviour of metallic multilayers has become fundamental to the rational design of materials at nano-scale. In this paper, we explore the effect of loading direction on the mechanical response of a V/Fe bi-layer with semi-coherent interfaces and single crystals, during in-plane uniaxial tension and compression using molecular dynamics simulations.

In the V/Fe bilayer system, tensile loading results in an apparent strengthening in comparison with the V single-crystal due to the simultaneous plastic deformation of both layers; dislocation slip originating from the decomposition of the <100> misfit dislocations into 1/2<111> dislocations inside the V layer and twinning/anti-twinning in Fe. In contrast, plastic deformation during compression initiates in the vanadium layer via a structural phase transition, while iron layer, on the other hand, undergoes slip activation after the decomposition of misfit dislocations inside it.

This tension-compression asymmetry is driven by differences in the shear strain evolution at the interface for both loading conditions. Interfacial shear strains in the V layer is dominant under tension, facilitating the decomposition of misfit dislocations inside the V layer. Whereas, higher interfacial shear strains occur in the Fe layer under compression leading to the decomposition of misfit dislocations inside the Fe layer. Similar observation is seen for V/Fe multilayers with different modulation periods λ. This study provides novel insights into the role of semi-coherent interfaces in controlling tension–compression asymmetry in nanoscale metallic multilayers.

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{"type":"article", "name":"s.hamdani20267", "author":"S. Hamdani and S. Abdeslam and R. Janisch and A. Hartmaier", "title":"Atomistic insights into tension–compression asymmetry of a V/Fe bilayer (with a semicoherent interface)", "journal":"Computational Condensed Matter", "volume":"47", "OPTnumber":"", "OPTmonth":"7", "year":"2026", "OPTpages":"e01310", "OPTnote":"", "OPTkey":"Semi-coherent interface; Deformation mechanism; Misfit dislocation; Tension-compression asymmetry; Atomistic simulation; Mechanical behaviour", "DOI":"10.1016/j.cocom.2026.e01310"}
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