4.5 Article

Molecular Dynamics Study of Crystallization Behavior in the Solid State of Zr-Cu Amorphous Alloys

Related references

Note: Only part of the references are listed.
Article Materials Science, Multidisciplinary

Structural mechanisms of enhanced mechanical properties in amorphous-nanocrystalline ZrCu alloys under irradiation

Zong-yuan Gan et al.

Summary: This study uses molecular dynamics MD simulations to investigate the tensile deformation behavior of irradiated ZrCu amorphous-nanocrystalline (ANA) alloy. The results show that the precipitation of Zr2Cu nanocrystal grains in ANA models activated stress and stimulated shear transformation zones (STZs) at the interfaces. The difference in the formation and propagation of shear bands in as-constructed metallic glass (MG) and ANA models is evidenced by the distribution of STZs, with the ANA models exhibiting better mechanical performance due to the restriction of shear band propagation.

JOURNAL OF MATERIALS SCIENCE (2023)

Article Chemistry, Physical

Effect of annealing on crystallization behavior in Cu15Zr85 amorphous film

Xuan Li et al.

Summary: The study revealed that the crystallization behavior in Cu15Zr85 amorphous film increases initially and then decreases with the annealing temperature, while the Surface-A component shows a higher crystallization rate at low temperatures and a lower degree of crystallization at high temperatures due to faster atomic diffusion.

JOURNAL OF ALLOYS AND COMPOUNDS (2021)

Article Materials Science, Multidisciplinary

Effect of Fe doping on structural, elastic and electronic properties of B2-ZrCu phase under hydrostatic pressure: A first-principles study

Yujun Lin et al.

Summary: The study investigates the effects of Fe doping and applied hydrostatic pressure on the properties of Zr8Cu8-xFex (x = 0, 1, 2, 3) through first-principles calculations. The doping and pressure enhance phase stability and alter the relationship between hardness and ductility. Fe doping strengthens metallic characteristics and hydrostatic pressure promotes metallic character, resulting in Zr8Cu6Fe2 being the hardest and most brittle material.

MATERIALS CHEMISTRY AND PHYSICS (2021)

Article Nanoscience & Nanotechnology

A new deformation mechanism of amorphous/amorphous laminates at deep nanoscale

L. Huang et al.

Summary: As the individual layer thickness of ZrCu/ZrCuNiAlSi amorphous/amorphous nanolaminates decreases, the deformation behavior shifts from shear-banding events to homogeneous co-deformation of the layers, exhibiting a distinct mechanism from other materials. The interface affected zones play a dominant role in determining the homogeneous deformation and unusual thermally activated parameters in A/ANLs with minimum thickness, but not in those with higher thickness.

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING (2021)

Article Materials Science, Multidisciplinary

Mechanical response of ZrxCu100-x layer on Cu(001) substrate using molecular dynamics

Anh-Vu Pham et al.

Summary: Using molecular dynamics simulations, it is found that decreasing the Zr content in the ZrxCu100-x alloy increases structural stability and hardness, while increasing Zr content leads to increased surface roughness but improved smoothness after annealing.

THIN SOLID FILMS (2021)

Article Chemistry, Physical

Electrochemical micromachining of ZrCu-based amorphous alloy in ethylene glycol solution

Hang Yusen et al.

Summary: ZrCu-based amorphous alloys have great application prospects due to their excellent properties. This study focused on the WECMM of the Zr67Cu15Ni11Al4Ti3 amorphous alloy, analyzing its dissolution characteristics and processing in aqueous solutions. Unlike with Cu-free Zr-based amorphous alloys, Cu in this case is electrolyzed quickly and hinders the processing, while in glycol solution, the alloy's polarization process is controlled by both charge transfer and diffusion.

INTERMETALLICS (2021)

Article Materials Science, Multidisciplinary

Self-healing mechanisms of ZrCu nanocrystalline/amorphous laminated alloy under irradiation

Hai-yan Jing et al.

Summary: By conducting MD simulations, this study investigated the microstructural evolution and self-healing mechanisms of ZrCu nanocrystalline/amorphous laminated alloy, revealing that NALA has superior anti-irradiation performance and self-healing capabilities compared to NLA. These findings may contribute to the development of advanced materials with high-irradiation tolerance.

MATERIALIA (2021)

Article Chemistry, Physical

Crystallization mechanism of Zr55Cu30Al10Ni5 metallic glass in an extended range of heating rates

Yuanyuan Zhang et al.

Summary: The crystallization mechanisms of Zr55Cu30Al10Ni5 amorphous alloys from slow continuous heating to rapid laser heating were investigated. Different nanocrystalline structures were observed at different heating rates, and a numerical model was established to calculate the onset crystallization temperatures. The activation energy of dendritic crystallization was found to be smaller than that of multiphase nanocrystallization due to different diffusion distances and atomic diffusivity.

INTERMETALLICS (2021)

Article Materials Science, Multidisciplinary

Real-time high-temperature scanning indentation: Probing physical changes in thin-film metallic glasses

Solene Comby-Dassonneville et al.

Summary: This study reports the use of a new high-temperature scanning indentation technique to monitor the physical changes in thin-film metallic glasses in situ during heat treatment. The mechanical evolution and physical evolutions of ZrCu TFMG were successfully characterized, including the metallic glass-to-supercooled liquid transition and crystallization process. The HTSI results showed excellent agreement with other analytical methods and provided key kinetic information on small-scale systems.

APPLIED MATERIALS TODAY (2021)

Article Materials Science, Multidisciplinary

Effects of alloy composition, cavity aspect ratio, and temperature of imprinted ZrCu metallic glass films: a molecular dynamics study

Cheng-Da Wu et al.

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2020)

Article Materials Science, Multidisciplinary

In situ nanocrystals manipulate solidification behavior and microstructures of hypereutectic Al -Si alloys by Zr-based amorphous alloys

Shuan Liu et al.

JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T (2020)

Article Materials Science, Coatings & Films

Enhancing corrosion and mechanical properties of 304 stainless steel by depositing and annealing Zr75Cu25 thin-film metallic glass

Ran-ran He et al.

SURFACE & COATINGS TECHNOLOGY (2020)

Article Materials Science, Multidisciplinary

Irradiation-induced homogeneous plasticity in amorphous/amorphous nanolaminates

L. Huang et al.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2020)

Article Materials Science, Multidisciplinary

Microstructures in the joint of zirconium-based bulk metallic glass and copper

Xiaoquan Yu et al.

MATERIALS RESEARCH EXPRESS (2019)

Review Materials Science, Multidisciplinary

Fatigue and fracture behavior of bulk metallic glasses and their composites

Haoling Jia et al.

PROGRESS IN MATERIALS SCIENCE (2018)

Article Chemistry, Physical

Nucleation instability in supercooled Cu-Zr-Al glass-forming liquids

R. E. Ryltsev et al.

JOURNAL OF CHEMICAL PHYSICS (2018)

Article Chemistry, Physical

Amorphous Zr-Cu thin-film alloys with metallic glass behavior

P. Zeman et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2017)

Article Materials Science, Multidisciplinary

Medium-range structure and glass forming ability in Zr-Cu-Al bulk metallic glasses

Pei Zhang et al.

ACTA MATERIALIA (2016)

Article Materials Science, Multidisciplinary

Probing the structure of a liquid metal during vitrification

K. Georgarakis et al.

ACTA MATERIALIA (2015)

Article Multidisciplinary Sciences

Five-fold symmetry as indicator of dynamic arrest in metallic glass-forming liquids

Y. C. Hu et al.

NATURE COMMUNICATIONS (2015)

Article Materials Science, Multidisciplinary

Connectivity of icosahedral network and a dramatically growing static length scale in Cu-Zr binary metallic glasses

Ryan Soklaski et al.

PHYSICAL REVIEW B (2013)

Article Chemistry, Physical

Laser solid forming Zr-based bulk metallic glass

Gaolin Yang et al.

INTERMETALLICS (2012)

Article Chemistry, Physical

Interpenetrating networks in Zr-Cu-Al and Zr-Cu metallic glasses

C. C. Wang et al.

INTERMETALLICS (2012)

Review Materials Science, Multidisciplinary

A brief overview of bulk metallic glasses

Mingwei Chen

NPG ASIA MATERIALS (2011)

Article Materials Science, Multidisciplinary

Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool

Alexander Stukowski

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)

Article Chemistry, Physical

Biocompatibility of Ni-free Zr-based bulk metallic glasses

L. Liu et al.

INTERMETALLICS (2009)

Article Materials Science, Multidisciplinary

Ab initio simulations of geometrical frustration in supercooled liquid Fe and Fe-based metallic glass

P. Ganesh et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Signature of nearly icosahedral structures in liquid and supercooled liquid copper

P. Ganesh et al.

PHYSICAL REVIEW B (2006)

Review Chemistry, Physical

Bulk metallic glasses

JF Löffler

INTERMETALLICS (2003)

Article Physics, Applied

Repeated crystallization in undercooled Zr41Ti14Cu12Ni10Be23 liquids

J Schroers et al.

APPLIED PHYSICS LETTERS (2000)