DFT data for giant hardening response in AlMgZn(Cu) alloys

JSON Export

{
  "metadata": {
    "edited_by": 105, 
    "owner": 105, 
    "description": "AiiDA calculations for the publication Giant hardening response in AlMgZn(Cu) alloys. This study presents a thermomechanical processing concept which is capable of exploiting the full indus- trial application potential of recently introduced AlMgZn(Cu) alloys. The beneficial linkage of alloy design and processing allows not only to satisfy the long-standing trade-off between high mechanical strength in use and good formability during processing but also addresses the need for economically feasible processing times. After an only 3-hour short pre-aging treatment at 100 \u00b0C, the two investigated alloys, based on commercial EN AW-5182 and modified with additions of Zn and Zn + Cu respectively, show high formability due to increased work-hardening. Then, these alloys exhibit a giant hardening response of up to 184 MPa to reach a yield strength of 410 MPa after a 20-minute short final heat treatment at 185 \u00b0C, i.e. paint-baking. This rapid hardening response strongly depends on the number density, size distribution and constitution of precursors acting as preferential nucleation sites for T-phase precursor precipitation during the final high-temperature aging treatment and is significantly increased by the addition of Cu. Minor deformation (2%) after pre-aging and before final heat treatment further enhances the development of hardening precipitates additionally by activating dislocation-supported nucleation and growth. Tensile testing, quantitative and analytical electron-microscopy methods, atom probe analysis and DFT calculations were used to characterize the alloys investigated in this work over the thermomechanical processing route. The influence of pre-strain on the hardening response and the role of Cu additions in early-stage cluster nucleation are discussed in detail and supported by in-situ STEM experiments and first-principles calculations.", 
    "keywords": [
      "Aluminum", 
      "Metallurgy", 
      "MARVEL/DD2"
    ], 
    "is_last": true, 
    "title": "DFT data for giant hardening response in AlMgZn(Cu) alloys", 
    "status": "published", 
    "license_addendum": null, 
    "doi": "10.24435/materialscloud:2k-cy", 
    "conceptrecid": "1180", 
    "_files": [
      {
        "checksum": "md5:acc7ec8fe979dfd83e716a491eabb5ca", 
        "description": "AiiDA Group Dump Tphase antisite calculations", 
        "key": "Tphase-antisite_relax.aiida", 
        "size": 141631819
      }, 
      {
        "checksum": "md5:38ff559cf6a9bb7511689e33ca473083", 
        "description": "AiiDA Group Dumps for Tphase calculations", 
        "key": "Tphase_vc-relax.aiida", 
        "size": 136505286
      }, 
      {
        "checksum": "md5:680d26491d5f67e26fcbae59956ffb63", 
        "description": "AiiDA Group Dump Solute-Triplet calculations", 
        "key": "Triplet_relax.aiida", 
        "size": 315895785
      }, 
      {
        "checksum": "md5:0b9ae9808129f4d3282c60cdcd83729c", 
        "description": "AiiDA Group Dump Eta-Prime calculations", 
        "key": "etaPrime_relax.aiida", 
        "size": 645737688
      }, 
      {
        "checksum": "md5:09110ac97d716971c607c204542c9999", 
        "description": "Readme file", 
        "key": "README.txt", 
        "size": 204
      }
    ], 
    "references": [
      {
        "citation": "Stemper, L., Tunes, M. A., Dumitraschkewitz, P., Mendez-Martin, F., Tosone, R., Marchand, D., Curtin, W. A., Uggowitzer, P. J., & Pogatscher, S. (2020). Giant hardening response in AlMgZn(Cu) alloys. Acta Materialia, 206, 116617.", 
        "comment": "Paper with the published data", 
        "url": "https://www.sciencedirect.com/science/article/pii/S1359645420310545", 
        "doi": "https://doi.org/10.1016/j.actamat.2020.116617", 
        "type": "Journal reference"
      }
    ], 
    "contributors": [
      {
        "givennames": "Daniel", 
        "affiliations": [
          "LAMMM Laboratory for Multiscale Mechanics Modeling, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015, Vaud, Switzerland"
        ], 
        "familyname": "Marchand", 
        "email": "daniel.marchand@epfl.ch"
      }, 
      {
        "givennames": "Curtin", 
        "affiliations": [
          "LAMMM Laboratory for Multiscale Mechanics Modeling, \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, CH-1015, Vaud, Switzerland"
        ], 
        "familyname": "William", 
        "email": "william.curtin@epfl.ch"
      }
    ], 
    "_oai": {
      "id": "oai:materialscloud.org:1181"
    }, 
    "publication_date": "Dec 21, 2021, 17:35:42", 
    "mcid": "2021.227", 
    "version": 1, 
    "id": "1181", 
    "license": "Creative Commons Attribution 4.0 International"
  }, 
  "revision": 13, 
  "created": "2021-12-16T15:59:57.403545+00:00", 
  "id": "1181", 
  "updated": "2021-12-21T17:08:34.659460+00:00"
}