Solute misfit and solute interaction effects on strengthening: A case study in AuNi

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{
  "id": "2003", 
  "updated": "2023-12-01T16:22:53.108091+00:00", 
  "metadata": {
    "version": 1, 
    "contributors": [
      {
        "givennames": "Binglun", 
        "affiliations": [
          "Institute of Applied Mechanics and Center for X-Mechanics, Zhejiang University, 310027 Hangzhou, China"
        ], 
        "email": "binglun.yin@zju.edu.cn", 
        "familyname": "Yin"
      }, 
      {
        "givennames": "Linhan", 
        "affiliations": [
          "Institute of Applied Mechanics and Center for X-Mechanics, Zhejiang University, 310027 Hangzhou, China"
        ], 
        "familyname": "Li"
      }, 
      {
        "givennames": "Sophie", 
        "affiliations": [
          "Leibniz Institute for Solid State and Materials Research, 01069 Dresden, Germany"
        ], 
        "familyname": "Drescher"
      }, 
      {
        "givennames": "Sascha", 
        "affiliations": [
          "Institute for Applied Materials (IAM-WK), Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe, Germany", 
          "Karlsruhe Nano Micro Facility (KNMFi), Karlsruhe Institute of Technology (KIT), 76344 Eggenstein-Leopoldshafen, Germany"
        ], 
        "familyname": "Seils"
      }, 
      {
        "givennames": "Shankha", 
        "affiliations": [
          "Laboratory for Multiscale Mechanics Modeling (LAMMM), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne, 1015 Lausanne, Switzerland", 
          "Institute for Materials Science, Technical University of Darmstadt, 64287 Darmstadt, Germany"
        ], 
        "familyname": "Nag"
      }, 
      {
        "givennames": "Jens", 
        "affiliations": [
          "Leibniz Institute for Solid State and Materials Research, 01069 Dresden, Germany"
        ], 
        "familyname": "Freudenberger"
      }, 
      {
        "givennames": "William", 
        "affiliations": [
          "Laboratory for Multiscale Mechanics Modeling (LAMMM), \u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), 1015 Lausanne, Switzerland"
        ], 
        "familyname": "Curtin"
      }
    ], 
    "title": "Solute misfit and solute interaction effects on strengthening: A case study in AuNi", 
    "_oai": {
      "id": "oai:materialscloud.org:2003"
    }, 
    "keywords": [
      "Yield strength", 
      "Solute strengthening theory", 
      "Misfit volume", 
      "Stacking fault energy", 
      "AuNi", 
      "MARVEL"
    ], 
    "publication_date": "Dec 01, 2023, 17:22:53", 
    "_files": [
      {
        "key": "README.txt", 
        "description": "README", 
        "checksum": "md5:d7eaa76469ac433fdeb93ffe6deaf709", 
        "size": 806
      }, 
      {
        "key": "20220815_AuNi_NNP_111_o_422_96atoms_90s_least.tar.xz", 
        "description": "DFT calculations of the bulk structure in random AuNi alloy.", 
        "checksum": "md5:abf751b05f89e6ed94a314741bac71df", 
        "size": 27684144
      }, 
      {
        "key": "20221127_AuNi_NNP_111_o_422_96atoms_90s_ssf_tilt_least.tar.xz", 
        "description": "DFT calculations of the slip process in random AuNi alloy.", 
        "checksum": "md5:7f497994b56f43e5587b4dfc1f5adcd6", 
        "size": 28596220
      }
    ], 
    "references": [
      {
        "comment": "Paper where the data is discussed.", 
        "doi": "10.1016/j.actamat.2023.119118", 
        "citation": "B. Yin, et al., Acta Materialia 257, 119118 (2023)", 
        "url": "https://www.sciencedirect.com/science/article/pii/S1359645423004494?via%3Dihub", 
        "type": "Journal reference"
      }
    ], 
    "description": "AuNi is a classic long-studied fcc alloy combining a very \u201clarge\u201d atom (Au) and a very \u201csmall\u201d atom (Ni), and the large atomic size misfits suggest very high strengthening. Here, AuNi is used as a model alloy for the testing of new strengthening theories in random alloys that include the effects of both size misfits and solute\u2013solute interactions. Experimentally, AuNi samples are fabricated, characterized, and tested, and show no segregation after annealing at 900 \u00b0C and a very high yield strength of 769 MPa. Theoretically, the main inputs to the theory (alloy lattice and elastic constants, solute misfit volumes, energy fluctuations associated with slip in the presence of solute\u2013solute interactions) are extracted from experiments or computed using first-principles DFT. The parameter-free prediction of the yield strength is 809 MPa, in very good agreement with experiments. Solute\u2013solute interactions enhance the strength only moderately (13%), demonstrating that the strengthening is dominated by the solute misfit contribution. Various aspects of the full theory are discussed, the general methodology is presented in an easy-to-apply analytic framework, and a new analysis for strengthening in alloys with zero misfits but non-zero solute\u2013solute interactions is presented. These results provide support for the theories and point toward applications to many fcc complex concentrated alloys.", 
    "status": "published", 
    "license": "Creative Commons Attribution 4.0 International", 
    "conceptrecid": "2002", 
    "is_last": true, 
    "mcid": "2023.188", 
    "edited_by": 576, 
    "id": "2003", 
    "owner": 18, 
    "license_addendum": null, 
    "doi": "10.24435/materialscloud:tn-jh"
  }, 
  "revision": 11, 
  "created": "2023-11-30T15:40:44.445770+00:00"
}