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

Title: Universal structural parameter to quantitatively predict metallic glass properties

Journal Article · · Nature Communications
DOI:https://doi.org/10.1038/ncomms13733· OSTI ID:1379609
 [1];  [2];  [3];  [4]; ORCiD logo [4];  [5]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Materials Science and Engineering
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
  3. George Mason Univ., Fairfax, VA (United States). Dept. of Physics and Astronomy
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
  5. Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Materials Science and Engineering

Quantitatively correlating the amorphous structure in metallic glasses (MGs) with their physical properties has been a long-sought goal. Here we introduce flexibility volume' as a universal indicator, to bridge the structural state the MG is in with its properties, on both atomic and macroscopic levels. The flexibility volume combines static atomic volume with dynamics information via atomic vibrations that probe local configurational space and interaction between neighbouring atoms. We demonstrate that flexibility volume is a physically appropriate parameter that can quantitatively predict the shear modulus, which is at the heart of many key properties of MGs. Moreover, the new parameter correlates strongly with atomic packing topology, and also with the activation energy for thermally activated relaxation and the propensity for stress-driven shear transformations. These correlations are expected to be robust across a very wide range of MG compositions, processing conditions and length scales.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-05CH11231; FG02-13ER46056
OSTI ID:
1379609
Journal Information:
Nature Communications, Vol. 7; ISSN 2041-1723
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 100 works
Citation information provided by
Web of Science

References (73)

Amorphous systems in athermal, quasistatic shear journal July 2006
Tuning order in disorder journal May 2015
The β relaxation in metallic glasses: an overview journal May 2013
Universal scaling between structural relaxation and vibrational dynamics in glass-forming liquids and polymers journal December 2007
Charge-transfer-enhanced prism-type local order in amorphous Mg65Cu25Y10: Short-to-medium-range structural evolution underlying liquid fragility and heat capacity journal May 2013
Full icosahedra dominate local order in Cu64Zr34 metallic glass and supercooled liquid journal May 2014
Critical fictive temperature for plasticity in metallic glasses journal February 2013
Configurational dependence of elastic modulus of metallic glass journal August 2009
Temperature dependence of the short-range order of Cu65Zr35 metallic glass journal January 2013
How Reproducible Are Dynamic Heterogeneities in a Supercooled Liquid? journal September 2004
Lindemann measures for the solid-liquid phase transition journal May 2007
Formation of monatomic metallic glasses through ultrafast liquid quenching journal August 2014
Mechanical behavior of amorphous alloys journal July 2007
Mechanical Behavior of Metallic Glasses: Microscopic Understanding of Strength and Ductility journal August 2008
The elastic properties, elastic models and elastic perspectives of metallic glasses journal April 2012
Rheology and Ultrasonic Properties of Metallic Glass-Forming Liquids: A Potential Energy Landscape Perspective journal August 2007
Interatomic repulsion softness directly controls the fragility of supercooled metallic melts journal October 2015
Structural behavior of Pd40Cu30Ni10P20 bulk metallic glass below and above the glass transition journal April 2003
Predicting the Long-Time Dynamic Heterogeneity in a Supercooled Liquid on the Basis of Short-Time Heterogeneities journal May 2006
Correlating local structure with inhomogeneous elastic deformation in a metallic glass journal September 2012
Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture I: The van Hove correlation function journal May 1995
Short-range structural signature of excess specific heat and fragility of metallic-glass-forming supercooled liquids journal February 2012
A Universal Criterion for Plastic Yielding of Metallic Glasses with a ( T / T g ) 2 / 3 Temperature Dependence journal November 2005
Activated Dynamics and Effective Temperature in a Steady State Sheared Glass journal November 2007
Elastic models for the non-Arrhenius viscosity of glass-forming liquids journal November 2006
Rejuvenation of metallic glasses by non-affine thermal strain journal August 2015
Scaling concepts for the dynamics of viscous liquids near an ideal glassy state journal July 1989
Inherent structure length in metallic glasses: simplicity behind complexity journal August 2015
Lack of a trans-cisoid phase in cis -polyacetylene journal January 1998
Compositional landscape for glass formation in metal alloys journal June 2014
Free volume cannot explain the spatial heterogeneity of Debye–Waller factors in a glass-forming binary alloy journal November 2006
The Latent Energy Remaining in a Metal after Cold Working journal January 1934
Atomic level stresses journal August 2011
Soft Modes and Nonaffine Rearrangements in the Inherent Structures of Supercooled Liquids journal March 2014
A damage-tolerant glass journal January 2011
Direct observation of local atomic order in a metallic glass journal November 2010
How thermally activated deformation starts in metallic glass journal September 2014
Shear bands in metallic glasses journal April 2013
Local elastic properties of a metallic glass journal May 2011
Poisson's ratio and the fragility of glass-forming liquids journal October 2004
Dynamics of Lennard-Jones clusters: A characterization of the activation-relaxation technique journal December 2000
Liquid-glass transition, a free-volume approach journal August 1979
Relationship between glass transition temperature and Debye temperature in bulk metallic glasses journal December 2003
Origin of embrittlement in metallic glasses journal August 2016
A microscopic mechanism for steady state inhomogeneous flow in metallic glasses journal April 1977
Plastic deformation in metallic glasses journal January 1979
Atomic-level structure and structure–property relationship in metallic glasses journal May 2011
Soft spots and their structural signature in a metallic glass journal September 2014
Atomic packing density and its influence on the properties of Cu–Zr amorphous alloys journal November 2007
Excess free volume in metallic glasses measured by X-ray diffraction journal April 2005
Dynamics of viscoplastic deformation in amorphous solids journal June 1998
Tailoring structural inhomogeneities in metallic glasses to enable tensile ductility at room temperature journal December 2016
Metallic glasses journal July 1984
Bulk metallic glasses journal June 2004
Dynamics of Lennard-Jones clusters: A characterization of the activation-relaxation technique journal January 2000
Bulk metallic glasses journal August 2001
Bulk metallic glasses journal June 2003
Metallic Glasses journal March 1995
Plasticity-induced structural anisotropy of silica glass text January 2009
Soft modes and non-affine rearrangements in the inherent structures of supercooled liquids text January 2014
Interatomic repulsion softness directly controls the fragility of supercooled metallic melts text January 2015
Elastic models for the non-Arrhenius viscosity of glass-forming liquids text January 2004
Dynamics of Viscoplastic Deformation in Amorphous Solids text January 1997
Dependence of the atomic dynamics of metallic glasses on quenched-in density fluctuations and on temperature journal November 2001
Bulk Metallic Glasses journal February 2013
Probing cooperative liquid dynamics with the mean square displacement journal October 2014
Plasticity-Induced Structural Anisotropy of Silica Glass journal May 2009
Distribution of Thermally Activated Plastic Events in a Flowing Glass journal June 2009
Atomic Level Structure in Multicomponent Bulk Metallic Glass journal June 2009
Vibrational Modes Identify Soft Spots in a Sheared Disordered Packing journal August 2011
Unified Criterion for Temperature-Induced and Strain-Driven Glass Transitions in Metallic Glass journal September 2015
Activated dynamics and effective temperature in a steady state sheared glass text January 2007
Predicting the long time dynamic heterogeneity in a supercooled liquid on the basis of short time heterogeneities text January 2005

Cited By (19)

Mechanical glass transition revealed by the fracture toughness of metallic glasses journal August 2018
Spatial heterogeneity as the structure feature for structure–property relationship of metallic glasses journal September 2018
A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses journal December 2019
Nanometer-scale gradient atomic packing structure surrounding soft spots in metallic glasses journal July 2018
Structural modification through pressurized sub-T g annealing of metallic glasses journal December 2017
Universal nature of dynamic heterogeneity in glass-forming liquids: A comparative study of metallic and polymeric glass-forming liquids journal November 2019
Potential energy landscape activations governing plastic flows in glass rheology journal September 2019
Making glassy solids ductile at room temperature by imparting flexibility into their amorphous structure journal August 2018
Precursors to plastic failure in a numerical simulation of CuZr metallic glass journal January 2020
Effect of composition on the microstructure of Mg (100− x ) Cu x alloys during rapid solidification journal September 2019
Atomistic structural mechanism for the glass transition: Entropic contribution journal January 2020
Revisiting the structure–property relationship of metallic glasses: Common spatial correlation revealed as a hidden rule journal January 2019
Local yield stress statistics in model amorphous solids journal March 2018
Machine learning characterization of structural defects in amorphous packings of dimers and ellipses journal February 2019
Correlation between Local Structure Order and Spatial Heterogeneity in a Metallic Glass journal November 2017
Making glassy solids ductile at room temperature by imparting flexibility into their amorphous structure [Supplemental Data] preprint August 2018
Machine Learning Characterization of Structural Defects in Amorphous Packings of Dimers and Ellipses text January 2018
A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses text January 2019
Precursors to plastic failure in a numerical simulation of CuZr metallic glass text January 2019

Similar Records

Correlating the properties of amorphous silicon with its flexibility volume
Journal Article · Fri Apr 28 00:00:00 EDT 2017 · Physical Review B · OSTI ID:1379609

Machine learning bridges local static structure with multiple properties in metallic glasses
Journal Article · Sat Jun 20 00:00:00 EDT 2020 · Materials Today · OSTI ID:1379609

Predicting the propensity for thermally activated β events in metallic glasses via interpretable machine learning
Journal Article · Tue Dec 15 00:00:00 EST 2020 · npj Computational Materials · OSTI ID:1379609