Published August 31, 2023 | Version v1
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Explaining the effect of in-plane strain on thermal degradation kinetics of Cu/W nano-multilayers

  • 1. Laboratory for Advanced Materials Processing, Empa - Swiss Federal Laboratories for Materials Science and Technology, Thun, Switzerland
  • 2. Laboratory for Joining Technologies and Corrosion, Empa - Swiss Federal Laboratories for Materials Science and Technology, Duebendorf, Switzerland
  • 3. National Centre for Computational Design and Discovery of Novel Materials MARVEL, Empa, Thun, Switzerland

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Description

Thermal annealing experiments evidence opposite effect on the degradation kinetics of Cu/W nano-multilayers from compressive to tensile in-plane strain. Besides higher activation energy, nano-multilayers with tensile strains degrade to nanocomposites faster than those with compressive strains. By assuming a vacancy-driven diffusion mechanism of degradation, we applied ab initio calculations to quantify different contributions to the corresponding diffusion coefficients in relation to in-plane strain. The average vacancy formation energy increases as the strain changes from compressive to tensile, which explains the higher experimental activation energy. The bulk in-plane and out-of-plane vacancy migration energies and corresponding diffusion prefactors highlight that enhanced transformation rate under tension can be explained by the segregation of non-equilibrium W vacancies to Cu/W interfaces. Our thermodynamic evaluation of grain boundary wetting and grooving by hybrid molecular dynamics/Monte Carlo method further supports this point, as both stress states enhance W grain separation to the same level.

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References

Preprint (Preprint where the data is discussed)
J.F. Troncoso, G. Lorenzin, C. Cancellieri, V. Turlo, doi: 10.2139/ssrn.4575644

Journal reference (Published paper)
J.F. Troncoso, G. Lorenzin, C. Cancellieri, V. Turlo, Scripta Materialia 242, 115902 (2024), doi: 10.1016/j.scriptamat.2023.115902

Journal reference (Published paper)
J.F. Troncoso, G. Lorenzin, C. Cancellieri, V. Turlo, Scripta Materialia 242, 115902 (2024)