{"contributor-id" "26a9e85d-987a-4521-853f-a58cd16d665d"
 "description" "A second nearest-neighbor modified embedded-atom method interatomic potential improved with the mechanical properties of the bulk B2 and B19’ phases in shape-memory NiTi alloys is presented. The potential correctly predicts the phase transformations known so far in the temperature-stress-strain diagram of equiatomic NiTi. Bulk materials show the perfect reversibility between B2 and B19’ over many thermal cycles. The perfect reversibility showing superelasticity is also observed in the nanopillars under both tensile and compressive loadings. Most important, twinning naturally occurs in the nanopillars upon cooling below the transition temperature, and the subsequent tensile loading removes twinning irreversibly. The authors find that a potential based on accurate mechanics warrants the mechanical and thermomechanical behaviors in shape-memory NiTi necessary for a practical use."
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 "doi" "10.25950/bfda9dfc"
 "domain" "openkim.org"
 "executables" []
 "extended-id" "MEAM_LAMMPS_MurallesParkKim_NiTi__MO_182729415169_000"
 "funding" [{"funder-identifier" "https://doi.org/10.13039/501100003725"
             "funder-identifier-type" "Crossref Funder ID"
             "funder-name" "National Research Foundation of Korea"
             "scheme-uri" "http://doi.org/"}]
 "implementer" ["26a9e85d-987a-4521-853f-a58cd16d665d"]
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 "maintainer-id" "26a9e85d-987a-4521-853f-a58cd16d665d"
 "model-driver" "MEAM_LAMMPS__MD_249792265679_002"
 "potential-type" "meam"
 "publication-year" "2024"
 "source-citations" [{"abstract" "We present a second nearest-neighbor interatomic potential improved with the mechanical properties of the bulk B2 and B19’ phases in shape-memory NiTi alloys. The potential correctly predicts the phase transformations known so far in the temperature-stress-strain diagram of equiatomic NiTi. Bulk materials show the perfect reversibility between B2 and B19’ over many thermal cycles. The perfect reversibility showing superelasticity is also observed in the nanopillars under both tensile and compressive loadings. Most important, twinning naturally occurs in the nanopillars upon cooling below the transition temperature, and the subsequent tensile loading removes twinning irreversibly. We find that a potential based on accurate mechanics warrants the mechanical and thermomechanical behaviors in shape-memory NiTi necessary for a practical use."
                      "author" "Muralles, Mario and Park, Soon-Dong and Kim, Sung Youb and Lee, Byeongchan"
                      "doi" "10.1016/j.commatsci.2017.01.015"
                      "issn" "0927-0256"
                      "journal" "Computational Materials Science"
                      "keywords" "NiTi, Martensitic transformation, Detwinning, Elastic constants"
                      "pages" "138-143"
                      "recordkey" "MO_182729415169_000a"
                      "recordprimary" "recordprimary"
                      "recordtype" "article"
                      "title" "Phase transformations, detwinning and superelasticity of shape-memory {NiTi} from {MEAM} with practical capability"
                      "url" "https://www.sciencedirect.com/science/article/pii/S0927025617300228"
                      "volume" "130"
                      "year" "2017"}]
 "species" ["Ni" "Ti"]
 "title" "MEAM potential for Ni-Ti developed by Muralles et al. (2017) v000"}