Deformation processes in polycrystalline Zr by molecular dynamics simulations

Lu, Zizhe; Noordhoek, Mark J.; Chernatynskiy, Aleksandr; Sinnott, Susan B.; Phillpot, Simon R.

doi:10.1016/j.jnucmat.2015.03.048

Title: Deformation processes in polycrystalline Zr by molecular dynamics simulations

Full Record
Other Related Research

Authors:: Lu, Zizhe; Noordhoek, Mark J.; Chernatynskiy, Aleksandr; Sinnott, Susan B.; Phillpot, Simon R.

Publication Date:: Wed Jul 01 00:00:00 EDT 2015

Sponsoring Org.:: USDOE

OSTI Identifier:: 1246602

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Nuclear Materials

Additional Journal Information:: Journal Name: Journal of Nuclear Materials Journal Volume: 462 Journal Issue: C; Journal ID: ISSN 0022-3115

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Lu, Zizhe, Noordhoek, Mark J., Chernatynskiy, Aleksandr, Sinnott, Susan B., and Phillpot, Simon R. Deformation processes in polycrystalline Zr by molecular dynamics simulations.  Netherlands: N. p., 2015. 
Web.  doi:10.1016/j.jnucmat.2015.03.048.

Copy to clipboard


                    Lu, Zizhe, Noordhoek, Mark J., Chernatynskiy, Aleksandr, Sinnott, Susan B., & Phillpot, Simon R. Deformation processes in polycrystalline Zr by molecular dynamics simulations.  Netherlands.  https://doi.org/10.1016/j.jnucmat.2015.03.048

Copy to clipboard


                    Lu, Zizhe, Noordhoek, Mark J., Chernatynskiy, Aleksandr, Sinnott, Susan B., and Phillpot, Simon R. Wed .  
"Deformation processes in polycrystalline Zr by molecular dynamics simulations".  Netherlands.  https://doi.org/10.1016/j.jnucmat.2015.03.048.

Copy to clipboard


                    
@article{osti_1246602,

  title        = {Deformation processes in polycrystalline Zr by molecular dynamics simulations},

  author       = {Lu, Zizhe and Noordhoek, Mark J. and Chernatynskiy, Aleksandr and Sinnott, Susan B. and Phillpot, Simon R.},

  abstractNote = {},

  doi          = {10.1016/j.jnucmat.2015.03.048},

  journal      = {Journal of Nuclear Materials},

  number       = C,

  volume       = 462,

  place        = {Netherlands},

  year         = {Wed Jul 01 00:00:00 EDT 2015},

  month        = {Wed Jul 01 00:00:00 EDT 2015}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1016/j.jnucmat.2015.03.048

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 22 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Structural relaxation and self-repair behavior in nano-scaled Zr-Cu metallic glass under cyclic loading: Molecular-dynamics simulations

Journal Article Lo, Y. C. ; Chou, H. S. ; Cheng, Y. T. ; ... - Intermetallics

Bulk metallic glasses are generally regarded as highly brittle materials at room temperature, with deformation localized within a few principal shear bands. In this simulation work, it is demonstrated that when the Zr-Cu metallic glass is in a small size-scale, it can deform under cyclic loading in a semi-homogeneous manner without the occurrence of pronounced mature shear bands. Instead, the plastic deformation in simulated samples proceeds via the network-like shear-transition zones (STZs) by the reversible and irreversible structure-relaxations during cyclic loading. Dynamic recovery and reversible/irreversible structure rearrangements occur in the current model, along with annihilation/creation of excessive free volumes. Thismore »« less
https://doi.org/10.1016/j.intermet.2010.01.012
Defect substructure energy landscape in polycrystalline Al under large deformation: insights from molecular dynamics

Journal Article Chen, Nanjun ; Hu, Shenyang ; Setyawan, Wahyu ; ... - Journal of Materials Research and Technology

Tens-nanometer sized defect substructures such as dislocation network, nanotwin and new grain or phase may form during solid phase processing (SPP), which affect the energy landscape, hence, the stability and evolution of phase and structure. Developing non-equilibrium thermodynamic models needs the correlation among the energy, defect substructure and deformation. In the current work, we use molecular dynamics (MD) method to simulate defect substructure evolutions in polycrystalline Al under compress and shear stresses. The effect of local stresses on the formation and transformation of typical defect substructures were analyzed. It was found that transitions from FCC, nanotwin, HCP, BCC, HCP tomore »« less
https://doi.org/10.1016/j.jmrt.2022.12.131
Deformation behavior of annealed Cu64Zr36 metallic glass via molecular dynamics simulations

Journal Article Yue, Xingxing ; Brechtl, Jamieson ; Wang, Fajie ; ... - Materials & Design

In the present work, we investigate the isothermal annealing process of Cu₆₄Zr₃₆ metallic glass (MG) by means of molecular dynamics (MD) simulations, and characterize the compression properties under different temperatures and compressive rates. The pair distribution functions, the bond-orientational order, and the cluster-type index method are modeled and analyzed to characterize changes in the structure. Results of the modeling and analysis reveal that the MgZn₂-type Laves, MgCu₂-type Laves and five-fold local symmetry structures can be formed during the isothermal holding at 950 K. Study on the compression properties shows that at a fixed strain rate, the yield strength and yieldmore »« less
Cited by 7
https://doi.org/10.1016/j.matdes.2020.108660

Full Text Available
Dislocation processes in the deformation of nanocrystalline aluminum by molecular-dynamics simulation.

Journal Article Yamakov, V ; Wolf, D ; Phillpot, S R ; ... - Nature Mater.

The mechanical behaviour of nanocrystalline materials (that is, polycrystals with a grain size of less than 100 nm) remains controversial. Although it is commonly accepted that the intrinsic deformation behaviour of these materials arises from the interplay between dislocation and grain-boundary processes, little is known about the specific deformation mechanisms. Here we use large-scale molecular-dynamics simulations to elucidate this intricate interplay during room-temperature plastic deformation of model nanocrystalline Al microstructures. We demonstrate that, in contrast to coarse-grained Al, mechanical twinning may play an important role in the deformation behaviour of nanocrystalline Al. Our results illustrate that this type of simulationmore »« less
https://doi.org/10.1038/nmat700
Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

Journal Article Zhang, Y. ; Mendelev, M. I. ; Wang, C. Z. ; ... - Physical Review. B, Condensed Matter and Materials Physics

Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium-range order (MRO), remains difficult to describe. Specifically lacking is an understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this paper, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed Cu_64.5Zr_35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. The cluster alignment method was employed to characterize the icosahedral short-range order (ISRO) andmore »« less
Cited by 9
https://doi.org/10.1103/PhysRevB.90.174101

Full Text Available

Similar Records