{"content-origin" "LAMMPS package 22-Sep-2017" "content-other-locations" "https://openkim.org/id/Sim_LAMMPS_MEAM_LenoskySadighAlonso_2000_Si__SM_622320990752_000" "contributor-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77" "description" "We fit an empirical potential for silicon using the modified embedded atom (MEAM) functional form, which contains a nonlinear function of a sum of pairwise and three-body terms. The three-body term is similar to the Stillinger-Weber form. We parameterized our model using five cubic splines, each with 10 fitting parameters, and fitted the parameters to a large database using the force-matching method. Our model provides a reasonable description of energetics for all atomic coordination, Z, from the dimer (Z = 1) to fcc and hcp (Z = 12). It accurately reproduces phonons and elastic constants, as well as point defect energetics. It also provides a good description of reconstruction energetics for both the 30° and 90° partial dislocations. Unlike previous models, our model accurately predicts formation energies and geometries of interstitial complexes - small clusters, interstitial-chain, and planar {311} defects." "developer" ["57339548-c8c4-4b8b-a24b-6cecf2787096" "d08eaec4-2289-4e6a-9fc7-c28d98c4156f" "553f9aa4-98a2-477b-852f-a65cd9e1ace3" "6ee0e203-4072-42b5-97a0-cf937edf5de8" "d5c826b2-1048-431c-bab6-0347f1c80c45" "98b95738-bd12-4464-9ed8-862e8be644e9" "cce68d90-29c8-48fa-a6fd-f806fa6d0f76" "f15f5ddf-8896-4f23-a4de-d96898caab64"] "doi" "10.25950/b8dc8b23" "domain" "openkim.org" "executables" [] "extended-id" "MEAM_LAMMPS_LenoskySadighAlonso_2000_Si__MO_533426548156_001" "kim-api-version" "2.2" "maintainer-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77" "model-driver" "MEAM_LAMMPS__MD_249792265679_001" "potential-type" "meam" "publication-year" "2021" "source-citations" [{"author" "Lenosky, Thomas J and Sadigh, Babak and Alonso, Eduardo and Bulatov, Vasily V and de la Rubia, Tomas Diaz and Kim, Jeongnim and Voter, Arthur F and Kress, Joel D" "doi" "10.1088/0965-0393/8/6/305" "journal" "Modelling and Simulation in Materials Science and Engineering" "month" "Oct" "note" "" "number" "6" "pages" "825--841" "recordkey" "MO_533426548156_001a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Highly optimized empirical potential model of silicon" "volume" "8" "year" "2000"}] "species" ["Si"] "title" "MEAM potential for Si system developed by Lenosky et al. (2000) v001"}