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Title: Structural ordering at solid-liquid interfaces in Al-Sm system: A molecular-dynamics study

Journal Article · · Materials Letters
 [1];  [2];  [2];  [3];  [2];  [2];  [4];  [5]
  1. Univ. of Science and Technology of China, Anhui (China); Ames Lab., Ames, IA (United States)
  2. Ames Lab., Ames, IA (United States)
  3. Univ. of Science and Technology of China, Anhui (China)
  4. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  5. Univ. of Science and Technology of China, Anhui (China); Ames Lab. and Iowa State Univ., Ames, IA (United States)
+ Show Author Affiliations

The structural ordering at solid-liquid interfaces far from equilibrium is studied with molecular dynamics simulations for the Al-Sm system. Using the van-Hove self-correlation function as the criterion to identify attachment/detachment events that occur at the interface, we are able to determine the time-dependent interface position, and characterize the detailed interfacial structure ordering surrounding the attached atoms. For the interface between an undercooled Al90Sm10 liquid and a metastable cubic structure, the solid induces the crystalline order of the cubic phase in the liquid layers, promoting the continuous growth of the crystal phase. When the same liquid is put in contact with f.c.c. Al, Sm from the liquid can still attach to the solid interface despite its insolubility in the Al lattice. Non-f.c.c. order is revealed surrounding the attached Sm atoms. Lastly, we show that the local structure ordering at interface is highly correlated to solid packing and liquid ordering.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
No. 11274288; 2011CB932801; 2012CB933702; AC02-07CH11358; AC02–07CH11358
OSTI ID:
1321965
Alternate ID(s):
OSTI ID: 1397517
Report Number(s):
IS-J-9027; PII: S0167577X16311399
Journal Information:
Materials Letters, Journal Name: Materials Letters; ISSN 0167-577X
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (5)

Controlling solid-liquid interfacial energy anisotropy through the isotropic liquid journal February 2020
Microstructure evolution during near- T g annealing and its effect on shear banding in model alloys journal December 2019
Atomic-Scale Simulation Study of Equilibrium Solute Adsorption at Alloy Solid-Liquid Interfaces journal July 2002
Controlling solid-liquid interfacial energy anisotropy through the isotropic liquid preprint January 2018
Controlling solid-liquid interfacial energy anisotropy through the isotropic liquid journal February 2020

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36 MATERIALS SCIENCE
solid-liquid interfaces
structural ordering
molecular dynamics simulations
Al-Sm