skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on December 9, 2020

Title: Microstructure evolution during near- T g annealing and its effect on shear banding in model alloys

Abstract

By performing extensive molecular dynamics simulations, we investigate herein the deformation behavior in A l 90 S m 10 and C u 64.5 Z r 35.5 alloys after elongated isothermal annealing in the vicinity of the glass-transition temperature ( T g ). Different microstructural response to the annealing process was observed: A l 90 S m 10 maintains the glassy structure with improved energetic stability, enhanced short-range order (SRO), and a more pronounced spatial network that extends beyond the first atomic shell, while C u 64.5 Z r 35.5 forms nanocrystalline Laves C u 2 Zr phases. Shear banding occurs in both annealed systems under shear loading. For A l 90 S m 10 , the spatial network formed by the local clusters characterizing the SRO of the system is significantly weakened but remains appreciable in the shear band. In contrast, the crystalline ordering in the C u 64.5 Z r 35.5 is completely destroyed during shear banding. Consequently, while displaying higher yield strength, the annealed C u 64.5 Z r 35.5 sample appears to be less ductile. By carefully examining the effect of microstructures on the structural ordering in the shear band and the consequent mechanical response, our work contributes to a better understanding of the deformation mechanism of amorphous alloys as compared with that in crystalline materials.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [1];  [1];  [3];  [1];  [1]
  1. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
  2. Tsinghua Univ., Beijing (China)
  3. China State Shipbuilding Corporation Limited, Beijing (China). Systems Engineering Research Inst.
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1599169
Report Number(s):
[IS-J-10103]
[Journal ID: ISSN 2475-9953; PRMHAR]
Grant/Contract Number:  
[AC02-07CH11358]
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
[ Journal Volume: 3; Journal Issue: 12]; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Yang, Meng-Hao, Cai, Bei, Sun, Yang, Zhang, Feng, Wang, Yi-Fan, Wang, Cai-Zhuang, and Ho, Kai-Ming. Microstructure evolution during near-Tg annealing and its effect on shear banding in model alloys. United States: N. p., 2019. Web. doi:10.1103/PhysRevMaterials.3.125602.
Yang, Meng-Hao, Cai, Bei, Sun, Yang, Zhang, Feng, Wang, Yi-Fan, Wang, Cai-Zhuang, & Ho, Kai-Ming. Microstructure evolution during near-Tg annealing and its effect on shear banding in model alloys. United States. doi:10.1103/PhysRevMaterials.3.125602.
Yang, Meng-Hao, Cai, Bei, Sun, Yang, Zhang, Feng, Wang, Yi-Fan, Wang, Cai-Zhuang, and Ho, Kai-Ming. Mon . "Microstructure evolution during near-Tg annealing and its effect on shear banding in model alloys". United States. doi:10.1103/PhysRevMaterials.3.125602.
@article{osti_1599169,
title = {Microstructure evolution during near-Tg annealing and its effect on shear banding in model alloys},
author = {Yang, Meng-Hao and Cai, Bei and Sun, Yang and Zhang, Feng and Wang, Yi-Fan and Wang, Cai-Zhuang and Ho, Kai-Ming},
abstractNote = {By performing extensive molecular dynamics simulations, we investigate herein the deformation behavior in Al90Sm10 and Cu64.5Zr35.5 alloys after elongated isothermal annealing in the vicinity of the glass-transition temperature (Tg). Different microstructural response to the annealing process was observed: Al90Sm10 maintains the glassy structure with improved energetic stability, enhanced short-range order (SRO), and a more pronounced spatial network that extends beyond the first atomic shell, while Cu64.5Zr35.5 forms nanocrystalline Laves Cu2Zr phases. Shear banding occurs in both annealed systems under shear loading. For Al90Sm10, the spatial network formed by the local clusters characterizing the SRO of the system is significantly weakened but remains appreciable in the shear band. In contrast, the crystalline ordering in the Cu64.5Zr35.5 is completely destroyed during shear banding. Consequently, while displaying higher yield strength, the annealed Cu64.5Zr35.5 sample appears to be less ductile. By carefully examining the effect of microstructures on the structural ordering in the shear band and the consequent mechanical response, our work contributes to a better understanding of the deformation mechanism of amorphous alloys as compared with that in crystalline materials.},
doi = {10.1103/PhysRevMaterials.3.125602},
journal = {Physical Review Materials},
number = [12],
volume = [3],
place = {United States},
year = {2019},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on December 9, 2020
Publisher's Version of Record

Save / Share:

Works referenced in this record:

‘Crystal Genes’ in Metallic Liquids and Glasses
journal, March 2016

  • Sun, Yang; Zhang, Feng; Ye, Zhuo
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep23734

Cu-Zr (Copper-Zirconium)
journal, October 1990

  • Arias, D.; Abriata, J. P.
  • Journal of Phase Equilibria, Vol. 11, Issue 5
  • DOI: 10.1007/BF02898260

On the role of Sm in solidification of Al-Sm metallic glasses
journal, November 2016


Focus: Nucleation kinetics of shear bands in metallic glass
journal, December 2016

  • Wang, J. Q.; Perepezko, J. H.
  • The Journal of Chemical Physics, Vol. 145, Issue 21
  • DOI: 10.1063/1.4966662

Cooperative Shear Model for the Rheology of Glass-Forming Metallic Liquids
journal, August 2006


Full icosahedra dominate local order in Cu64Zr34 metallic glass and supercooled liquid
journal, May 2014


Effect of annealing on nanoindentation slips in a bulk metallic glass
journal, October 2017


Coupling grain boundary motion to shear deformation
journal, November 2006


Development of suitable interatomic potentials for simulation of liquid and amorphous Cu–Zr alloys
journal, April 2009


Structural ordering at solid-liquid interfaces in Al-Sm system: A molecular-dynamics study
journal, January 2017


Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995


Rapid solidification and metallic glass formation – Experimental and theoretical limits
journal, October 2007


Atomic packing and short-to-medium-range order in metallic glasses
journal, January 2006

  • Sheng, H. W.; Luo, W. K.; Alamgir, F. M.
  • Nature, Vol. 439, Issue 7075
  • DOI: 10.1038/nature04421

A simple empirical N -body potential for transition metals
journal, July 1984


Structural processes that initiate shear localization in metallic glass
journal, October 2009


Diffusion in a Cu-Zr metallic glass studied by microsecond-scale molecular dynamics simulations
journal, May 2015


Atomistic cluster alignment method for local order mining in liquids and glasses
journal, November 2010


Structural modification through pressurized sub-T g annealing of metallic glasses
journal, December 2017

  • Foroughi, A.; Ashuri, H.; Tavakoli, R.
  • Journal of Applied Physics, Vol. 122, Issue 21
  • DOI: 10.1063/1.5004058

Rheology and Ultrasonic Properties of Metallic Glass-Forming Liquids: A Potential Energy Landscape Perspective
journal, August 2007

  • Johnson, William L.; Demetriou, Marios D.; Harmon, John S.
  • MRS Bulletin, Vol. 32, Issue 8
  • DOI: 10.1557/mrs2007.127

The thermodynamic re-assessment of the Cu–Zr system
journal, December 2006


Dynamics of viscoplastic deformation in amorphous solids
journal, June 1998


Interactions between non-screw lattice dislocations and coherent twin boundaries in face-centered cubic metals
journal, March 2008


Local atomic arrangements and their topology in Ni–Zr and Cu–Zr glassy and crystalline alloys
journal, April 2013


Metallic Glasses
journal, March 1995


Beyond Finite-Size Scaling in Solidification Simulations
journal, June 2006


Fractal atomic-level percolation in metallic glasses
journal, September 2015


Correlation between structural relaxation and connectivity of icosahedral clusters in CuZr metallic glass-forming liquids
journal, August 2013


Nucleation instability in supercooled Cu–Zr–Al glass-forming liquids
journal, October 2018

  • Ryltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M.
  • The Journal of Chemical Physics, Vol. 149, Issue 16
  • DOI: 10.1063/1.5054631

Fractal analysis on the cluster network in metallic liquid and glass
journal, August 2018


Distribution of Thermally Activated Plastic Events in a Flowing Glass
journal, June 2009


Atomic structure of shear bands in Cu64Zr36 metallic glasses studied by molecular dynamics simulations
journal, August 2015


Geometry of Slow Structural Fluctuations in a Supercooled Binary Alloy
journal, March 2010


Plastic flow softening in a bulk metallic glass
journal, September 2006


Embrittlement of a bulk metallic glass due to sub- annealing
journal, March 2005


Implementing molecular dynamics on hybrid high performance computers – short range forces
journal, April 2011

  • Brown, W. Michael; Wang, Peng; Plimpton, Steven J.
  • Computer Physics Communications, Vol. 182, Issue 4
  • DOI: 10.1016/j.cpc.2010.12.021

Cooling rate dependence of structural order in Al90Sm10 metallic glass
journal, July 2016

  • Sun, Yang; Zhang, Yue; Zhang, Feng
  • Journal of Applied Physics, Vol. 120, Issue 1
  • DOI: 10.1063/1.4955223

Structural Relaxation Made Simple
journal, October 2006


Icosahedral superclusters in Cu 64 Zr 36 metallic glass
journal, October 2014


Structure-property relationships in nanoporous metallic glasses
journal, March 2016


Crystal-Like Rearrangements of Icosahedra in Simulated Copper-Zirconium Metallic Glasses and their Effect on Mechanical Properties
journal, October 2015


Cooling rates dependence of medium-range order development in C u 64 . 5 Z r 35 . 5 metallic glass
journal, February 2015


Predicting the solid state phase diagram for glass-forming alloys of copper and zirconium
journal, May 2012


Atomic level stresses
journal, August 2011


Development of interatomic potentials appropriate for simulation of devitrification of Al 90 Sm 10 alloy
journal, April 2015

  • Mendelev, M. I.; Zhang, F.; Ye, Z.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 23, Issue 4
  • DOI: 10.1088/0965-0393/23/4/045013

Shear bands in metallic glasses
journal, April 2013

  • Greer, A. L.; Cheng, Y. Q.; Ma, E.
  • Materials Science and Engineering: R: Reports, Vol. 74, Issue 4
  • DOI: 10.1016/j.mser.2013.04.001

Bi-crystallographic lattice structure directs grain boundary motion under shear stress
journal, August 2015

  • Wan, Liang; Han, Weizhong; Chen, Kai
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep13441

An instability index of shear band for plasticity in metallic glasses
journal, March 2009


Phase stability, elastic and electronic properties of Cu–Zr binary system intermetallic compounds: A first-principles study
journal, March 2014


Cooling rate dependence of simulated Cu 64.5 Zr 35.5 metallic glass structure
journal, July 2016

  • Ryltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M.
  • The Journal of Chemical Physics, Vol. 145, Issue 3
  • DOI: 10.1063/1.4958631

Networked interpenetrating connections of icosahedra: Effects on shear transformations in metallic glass
journal, January 2011


Variation of glass transition temperature of Al90Sm10 metallic glass under pressurized cooling
journal, November 2018


Power-law scaling and fractal nature of medium-range order in metallic glasses
journal, December 2008

  • Ma, D.; Stoica, A. D.; Wang, X. -L.
  • Nature Materials, Vol. 8, Issue 1
  • DOI: 10.1038/nmat2340

Universal Fractional Noncubic Power Law for Density of Metallic Glasses
journal, May 2014