Explaining the effect of in-plane strain on thermal degradation kinetics of Cu/W nano-multilayers
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{
"updated": "2023-11-14T12:43:54.462983+00:00",
"created": "2023-08-29T07:07:22.379779+00:00",
"id": "1878",
"metadata": {
"owner": 969,
"mcid": "2023.134",
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"contributors": [
{
"givennames": "Javier",
"affiliations": [
"Laboratory for Advanced Materials Processing, Empa - Swiss Federal Laboratories for Materials Science and Technology, Thun, Switzerland"
],
"familyname": "Fernandez Troncoso"
},
{
"givennames": "Giacomo",
"affiliations": [
"Laboratory for Joining Technologies and Corrosion, Empa - Swiss Federal Laboratories for Materials Science and Technology, Duebendorf, Switzerland"
],
"familyname": "Lorenzin"
},
{
"givennames": "Claudia",
"affiliations": [
"Laboratory for Joining Technologies and Corrosion, Empa - Swiss Federal Laboratories for Materials Science and Technology, Duebendorf, Switzerland"
],
"familyname": "Cancellieri"
},
{
"givennames": "Vladyslav",
"affiliations": [
"Laboratory for Advanced Materials Processing, Empa - Swiss Federal Laboratories for Materials Science and Technology, Thun, Switzerland",
"National Centre for Computational Design and Discovery of Novel Materials MARVEL, Empa, Thun, Switzerland"
],
"familyname": "Turlo",
"email": "vladyslav.turlo@empa.ch"
}
],
"status": "published",
"keywords": [
"nano-multilayers",
"degradation kinetics",
"Cu/W",
"in-plane strain",
"vacancy-driven diffusion",
"ab initio calculations"
],
"id": "1878",
"version": 1,
"license_addendum": null,
"conceptrecid": "1877",
"title": "Explaining the effect of in-plane strain on thermal degradation kinetics of Cu/W nano-multilayers",
"doi": "10.24435/materialscloud:ah-f4",
"is_last": true,
"publication_date": "Aug 31, 2023, 10:14:29",
"_oai": {
"id": "oai:materialscloud.org:1878"
},
"license": "Creative Commons Attribution 4.0 International",
"edited_by": 969,
"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.",
"references": [
{
"url": "https://ssrn.com/abstract=4575644",
"doi": "10.2139/ssrn.4575644",
"comment": "Preprint where the data is discussed",
"type": "Preprint",
"citation": "J.F. Troncoso, G. Lorenzin, C. Cancellieri, V. Turlo"
}
]
},
"revision": 5
}