scholarly journals Effects of cooling rate on the atomic structure and glass formation process ofCo90Zr10metallic glass investigated by molecular dynamics simulations

2019 ◽  
Vol 43 (1) ◽  
pp. 11-25 ◽  
Author(s):  
Murat ÇELTEK ◽  
Sedat ŞENGÜL
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Cooling Rate ◽  
Atomic Structure ◽  
Formation Process ◽  
Glass Formation ◽  
Dynamics Simulations

scholarly journals Microstructure formation and macroscopic dynamics of ferrofluid emulsion in rotating magnetic field

2018 ◽  
Vol 185 ◽  
pp. 09004 ◽  
Author(s):  
Anastasia Kolesnikova ◽  
Arthur Zakinyan ◽  
Yuri Dikansky
Keyword(s):  
Magnetic Field ◽  
Molecular Dynamics ◽  
Field Strength ◽  
Molecular Dynamics Simulations ◽  
Time Evolution ◽  
Formation Process ◽  
Rotating Magnetic Field ◽  
Microstructure Formation ◽  
Water Emulsion ◽  
Dynamics Simulations

The ferrofluid-in-water emulsion has been produced and studied. The microstructure formation in a flat layer of such emulsion under the action of in-plane rotating magnetic field has been observed. Several microstructure types have been found such as chain-like aggregates, disc-like clusters, branching and space-occupying structures. The time evolution of the formation process has been analysed. The revealed microstructures have been computationally investigated by molecular dynamics simulations. The microstructure dynamics in ferrofluid emulsions manifests itself in macroscopic mechanical effects. We analysed the appearance of macroscopic torque on a ferrofluid emulsion sample in a rotating magnetic field. The value of the torque has been measured as a function of magnetic field strength and frequency.

A model of density waves in atomic structure of nanodiamond by molecular dynamics simulations

2019 ◽  
Vol 91 ◽  
pp. 1-14 ◽  
Author(s):  
Kazimierz Skrobas ◽  
Svitlana Stelmakh ◽  
Stanislaw Gierlotka ◽  
Bogdan Palosz
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Atomic Structure ◽  
Density Waves ◽  
Dynamics Simulations

scholarly journals Realistic atomic structure of fly ash-based geopolymer gels: Insights from molecular dynamics simulations

2019 ◽  
Vol 151 (6) ◽  
pp. 064307 ◽  
Author(s):  
Gideon A. Lyngdoh ◽  
Rajesh Kumar ◽  
N. M. Anoop Krishnan ◽  
Sumanta Das
Keyword(s):  
Molecular Dynamics ◽  
Fly Ash ◽  
Molecular Dynamics Simulations ◽  
Atomic Structure ◽  
Dynamics Simulations

scholarly journals Modelling the local atomic structure of molybdenum in nuclear waste glasses with ab initio molecular dynamics simulations

2016 ◽  
Vol 18 (37) ◽  
pp. 26125-26132 ◽  
Author(s):  
Konstantinos Konstantinou ◽  
Peter V. Sushko ◽  
Dorothy M. Duffy
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Nuclear Waste ◽  
Atomic Structure ◽  
Chemical Nature ◽  
Glass Network ◽  
Local Atomic Structure ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations

The chemical nature and molar composition of nuclear glass affect the local atomic structure of Mo and its solubility within the glass network.

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