文献类型：期刊文献

英文题名：Nontrivial nanostructure, stress relaxation mechanisms, and crystallography for pressure-induced Si-I → Si-II phase transformation

作者：Chen, Hao[1];Levitas, Valery, I[2,3,4];Popov, Dmitry[5];Velisavljevic, Nenad[5,6]

机构：[1]East China Univ Sci & Technol, Sch Mech & Power Engn, Key Lab Pressure Syst & Safety, Minist Educ, Shanghai 200237, Peoples R China;[2]Iowa State Univ, Dept Aerosp Engn, Ames, IA 50011 USA;[3]Iowa State Univ, Dept Mech Engn, Ames, IA 50011 USA;[4]Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA;[5]Argonne Natl Lab, Xray Sci Div, HPCAT, Lemont, IL 60439 USA;[6]Lawrence Livermore Natl Lab, Phys Div, Livermore, CA 94550 USA

年份：2022

卷号：13

期号：1

外文期刊名：NATURE COMMUNICATIONS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000759057400014)】；

基金：H.C. acknowledges support by NSFC of China (52005186) and Shanghai Sailing Program (20YF1409400). VIL work was sponsored by NSF (CMMI-1943710, MMN-1904830, and XSEDE TG-MSS170015), ONR (N00014-16-1-2079), and ISU (Vance Coffman Faculty Chair Professorship). DP and NV acknowledge High Pressure Collaborative Access Team (HPCAT) (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA's Office of Experimental Sciences. The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. NV work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

语种：英文

摘要：Crystallographic theory based on energy minimization suggests austenite-twinned martensite interfaces with specific orientation, which are confirmed experimentally for various materials. Pressure-induced phase transformation (PT) from semiconducting Si-I to metallic Si-II, due to very large and anisotropic transformation strain, may challenge this theory. Here, unexpected nanostructure evolution during Si-I -> Si-II PT is revealed by combining molecular dynamics (MD), crystallographic theory, generalized for strained crystals, and in situ real-time Laue X-ray diffraction (XRD). Twinned Si-II, consisting of two martensitic variants, and unexpected nanobands, consisting of alternating strongly deformed and rotated residual Si-I and third variant of Si-II, form {111} interface with Si-I and produce almost self-accommodated nanostructure despite the large transformation volumetric strain of -0.237. The interfacial bands arrest the {111} interfaces, leading to repeating nucleation-growth-arrest process and to growth by propagating {110} interface, which (as well as {111} interface) do not appear in traditional crystallographic theory.