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Updated: May 28, 2026
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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Computer simulation of the matrix-inclusion interphase in bulk metallic glass based nanocomposites.
Summary
Atomistic models reveal amorphous interphase layers between nanocrystalline inclusions and amorphous matrices. These interphases have reduced density and lower elastic moduli, explaining shear band initiation during plastic deformation.
Area of Science:
- Materials Science
- Computational Materials Science
- Nanotechnology
Background:
- Matrix-inclusion systems are crucial in advanced materials.
- Understanding interphase behavior is key to material properties.
- Nanocrystalline inclusions in amorphous matrices present unique interfacial challenges.
Purpose of the Study:
- To atomistically model matrix-inclusion systems.
- To characterize the structure and properties of interphase layers.
- To elucidate the role of interphases in plastic deformation.
Main Methods:
- Generation of atomistic models for matrix-inclusion systems.
- Molecular dynamics (MD) simulations for monatomic hard sphere systems and a CuZrAl alloy.
- Simulated deformation to calculate elastic moduli of interphases.
Main Results:
- Finite-thickness amorphous interphase layers form at the nanocrystalline inclusion-amorphous matrix interface.
- Interphases exhibit reduced density compared to the matrix.
- Both elastic shear and bulk moduli decrease with density reduction, with shear modulus being more sensitive.
Conclusions:
- The formation of a distinct interphase layer is a general phenomenon in matrix-inclusion systems.
- Reduced interphase density and moduli are critical factors influencing material behavior.
- The findings explain shear band initiation at amorphous-crystalline interfaces during plastic deformation.
