skip to main content


Title: Misfit dislocation patterns of Mg-Nb interfaces

The role of heterogeneous interfaces in improving mechanical properties of polycrystalline aggregates and laminated composites has been well recognized with interface structure being of fundamental importance in designing composites containing multiple interfaces. In this paper, taking the Mg (hexagonal close-packed (hcp))/Nb (body-centered cubic (bcc)) interface as an example, we develop Mg-Nb interatomic potentials for predicting atomic configurations of Mg/Nb interfaces. We systematically characterize interface dislocations of Mg/Nb interfaces with Nishiyama-Wassermann (NW) and Kurdjumov-Sachs (KS) orientation relationships and propose a generalized procedure of characterizing interface structure by combining atomistic simulation and interface dislocation theory, which is applicable for not only hcp/bcc interfaces, but also other systems with complicated interface dislocation configurations.Here, in Mg/Nb, interface dislocation networks of two types of interfaces are significantly different although they originate from partial dislocations of similar character: the NW interface is composed of three sets of partial dislocations, while the KS interface is composed of four sets of interface dislocations - three sets of partial dislocations and one set of full dislocations that forms from the reaction of two close partial dislocations.
ORCiD logo [1] ;  [2] ; ORCiD logo [1] ;  [1] ; ORCiD logo [1] ; ORCiD logo [1] ;  [3]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Louisiana State Univ., Baton Rouge, LA (United States). Dept. of Mechanical and Industrial Engineering
  3. Univ. of Nebraska, Lincoln, NE (United States). Mechanical and Materials Engineering
Publication Date:
Report Number(s):
Journal ID: ISSN 1359-6454
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 126; Journal Issue: C; Journal ID: ISSN 1359-6454
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
36 MATERIALS SCIENCE; Hcp/bcc interface; Bimetal interface; Layered nanocomposite; Atomically informed Frank-Bilby
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1397830