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Title: The Role of Phase Separation on Rayleigh-Plateau Type Instabilities in Alloys

Abstract

Classical molecular dynamics (MD) simulations are used to investigate the role of phase separation (PS) on the Rayleigh-Plateau (RP) instability. Ni–Ag bulk structures are created at temperatures (2000 K and 1400 K) that generate different PS length scales, λPS, relative to the RP instability length scale, λRP. Rectanguloids are then cut from the bulk structures and patterned with a perturbation of certain amplitude and wavelength, λRP. It is found that when λPS << λRP (2000 K), the patterned rectanguloids break up into nanoparticles in a manner consistent with classical RP theory, whereas when λPS << λRP (1400 K), soluto-capillarity affects the RP instability significantly. Specifically, since Ag has a lower surface energy than Ni, Ag migrates to cover neighboring Ni regions, therefore modifying the RP instability. Thus, we demonstrate that the phase separation length scale of an immiscible alloy can be exploited to direct the assembly of functional bimetallic alloys.

Authors:
 [1]; ORCiD logo [1];  [1]; ORCiD logo [2]; ORCiD logo [3]
  1. New Jersey Institute of Technology, Newark, NJ (United States)
  2. Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division
OSTI Identifier:
1818735
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 125; Journal Issue: 10; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemical structure; Quantum mechanics; Liquids; Electron correlation; Nanoparticles

Citation Formats

Allaire, Ryan H., Kondic, Lou, Cummings, Linda J., Rack, Philip D., and Fuentes-Cabrera, Miguel. The Role of Phase Separation on Rayleigh-Plateau Type Instabilities in Alloys. United States: N. p., 2021. Web. doi:10.1021/acs.jpcc.0c08720.
Allaire, Ryan H., Kondic, Lou, Cummings, Linda J., Rack, Philip D., & Fuentes-Cabrera, Miguel. The Role of Phase Separation on Rayleigh-Plateau Type Instabilities in Alloys. United States. https://doi.org/10.1021/acs.jpcc.0c08720
Allaire, Ryan H., Kondic, Lou, Cummings, Linda J., Rack, Philip D., and Fuentes-Cabrera, Miguel. Tue . "The Role of Phase Separation on Rayleigh-Plateau Type Instabilities in Alloys". United States. https://doi.org/10.1021/acs.jpcc.0c08720. https://www.osti.gov/servlets/purl/1818735.
@article{osti_1818735,
title = {The Role of Phase Separation on Rayleigh-Plateau Type Instabilities in Alloys},
author = {Allaire, Ryan H. and Kondic, Lou and Cummings, Linda J. and Rack, Philip D. and Fuentes-Cabrera, Miguel},
abstractNote = {Classical molecular dynamics (MD) simulations are used to investigate the role of phase separation (PS) on the Rayleigh-Plateau (RP) instability. Ni–Ag bulk structures are created at temperatures (2000 K and 1400 K) that generate different PS length scales, λPS, relative to the RP instability length scale, λRP. Rectanguloids are then cut from the bulk structures and patterned with a perturbation of certain amplitude and wavelength, λRP. It is found that when λPS << λRP (2000 K), the patterned rectanguloids break up into nanoparticles in a manner consistent with classical RP theory, whereas when λPS << λRP (1400 K), soluto-capillarity affects the RP instability significantly. Specifically, since Ag has a lower surface energy than Ni, Ag migrates to cover neighboring Ni regions, therefore modifying the RP instability. Thus, we demonstrate that the phase separation length scale of an immiscible alloy can be exploited to direct the assembly of functional bimetallic alloys.},
doi = {10.1021/acs.jpcc.0c08720},
journal = {Journal of Physical Chemistry. C},
number = 10,
volume = 125,
place = {United States},
year = {Tue Mar 09 00:00:00 EST 2021},
month = {Tue Mar 09 00:00:00 EST 2021}
}

Works referenced in this record:

Dynamics of Dewetting at the Nanoscale Using Molecular Dynamics
journal, March 2007

  • Bertrand, E.; Blake, T. D.; Ledauphin, V.
  • Langmuir, Vol. 23, Issue 7
  • DOI: 10.1021/la062920m

Random close packing of hard spheres and disks
journal, February 1983


Wetting and Molecular Dynamics Simulations of Simple Liquids
journal, August 2008


Fabrication of Ag-Au bimetallic nanoparticles by laser-induced dewetting of bilayer films
journal, March 2018


Nanometer-scale phase separation in Al60Ge30Mn10 amorphous alloy
journal, September 2019


Exploiting the Marangoni Effect To Initiate Instabilities and Direct the Assembly of Liquid Metal Filaments
journal, August 2017


Engineering the plasmon resonance of large area bimetallic nanoparticle films by laser nanostructuring for chemical sensors
journal, January 2011

  • Beliatis, Michail J.; Henley, Simon J.; Silva, S. Ravi P.
  • Optics Letters, Vol. 36, Issue 8
  • DOI: 10.1364/OL.36.001362

Self-Assembly versus Directed Assembly of Nanoparticles via Pulsed Laser Induced Dewetting of Patterned Metal Films
journal, June 2011

  • Fowlkes, Jason D.; Kondic, Lou; Diez, Javier
  • Nano Letters, Vol. 11, Issue 6
  • DOI: 10.1021/nl200921c

Nanosecond laser-induced synthesis of nanoparticles with tailorable magneticanisotropy
journal, February 2011

  • Krishna, H.; Gangopadhyay, A. K.; Strader, J.
  • Journal of Magnetism and Magnetic Materials, Vol. 323, Issue 3-4
  • DOI: 10.1016/j.jmmm.2010.09.041

Dynamic Wetting Studied by Molecular Modeling Simulations of Droplet Spreading
journal, October 1999

  • de Ruijter, M. J.; Blake, T. D.; De Coninck, J.
  • Langmuir, Vol. 15, Issue 22
  • DOI: 10.1021/la990171l

Coexistence of spinodal instability and thermal nucleation in thin-film rupture: Insights from molecular levels
journal, March 2014

  • Nguyen, Trung Dac; Fuentes-Cabrera, Miguel; Fowlkes, Jason D.
  • Physical Review E, Vol. 89, Issue 3
  • DOI: 10.1103/PhysRevE.89.032403

Molecular dynamics of rupture phenomena in a liquid thread
journal, October 1998


Nanostructuration of Thin Metal Films by Pulsed Laser Irradiations: A Review
journal, August 2019

  • Ruffino, Francesco; Grimaldi, Maria Grazia
  • Nanomaterials, Vol. 9, Issue 8
  • DOI: 10.3390/nano9081133

Molecular dynamics study on the formation of self-organized core/shell structures in the Pb alloy at the nanoscale
journal, January 2017

  • Li, Tao; Wang, ZhiChao; Duan, YunRui
  • RSC Advances, Vol. 7, Issue 84
  • DOI: 10.1039/C7RA11586E

Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers
journal, April 2004


Dynamics of dewetting at the nanoscale: A molecular dynamics study
journal, January 2009

  • Bertrand, E.; Blake, T. D.; De Coninck, J.
  • The European Physical Journal Special Topics, Vol. 166, Issue 1
  • DOI: 10.1140/epjst/e2009-00901-4

Experimental Evidence of a Rayleigh-Plateau Instability in Free Falling Granular Jets
journal, May 2011


Controlled Living Nanowire Growth: Precise Control over the Morphology and Optical Properties of AgAuAg Bimetallic Nanowires
journal, July 2015


Thermocapillary effects in driven dewetting and self assembly of pulsed-laser-irradiated metallic films
journal, August 2009


Molecular dynamics study of the dewetting of copper on graphite and graphene: Implications for nanoscale self-assembly
journal, April 2011

  • Fuentes-Cabrera, Miguel; Rhodes, Bradley H.; Fowlkes, Jason D.
  • Physical Review E, Vol. 83, Issue 4
  • DOI: 10.1103/PhysRevE.83.041603

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009


Dewetting Modes of Thin Metallic Films: Nucleation of Holes and Spinodal Dewetting
journal, August 1996


Optical and Magnetic Properties of Ag–Ni Bimetallic Nanoparticles Assembled via Pulsed Laser-Induced Dewetting
journal, July 2020


Simultaneous In-Situ Synthesis and Characterization of Co@Cu Core-Shell Nanoparticle Arrays
journal, December 2014

  • McKeown, Joseph T.; Wu, Yueying; Fowlkes, Jason D.
  • Advanced Materials, Vol. 27, Issue 6
  • DOI: 10.1002/adma.201404374

Stability of Freely Falling Granular Streams
journal, October 2012


Molecular dynamics simulations of silver nanocluster supported on carbon nanotube
journal, March 2014


Controlling the Velocity of Jumping Nanodroplets Via Their Initial Shape and Temperature
journal, August 2011

  • Fuentes-Cabrera, Miguel; Rhodes, Bradley H.; Baskes, Michael I.
  • ACS Nano, Vol. 5, Issue 9
  • DOI: 10.1021/nn2018254

Robust nanopatterning by laser-induced dewetting of metal nanofilms
journal, August 2006

  • Favazza, Christopher; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna
  • Nanotechnology, Vol. 17, Issue 16
  • DOI: 10.1088/0957-4484/17/16/038

Surface melting and breakup of metal nanowires: Theory and molecular dynamics simulation
journal, March 2019

  • Ridings, Kannan M.; Aldershof, Thomas S.; Hendy, Shaun C.
  • The Journal of Chemical Physics, Vol. 150, Issue 9
  • DOI: 10.1063/1.5086435

Liquid-State Dewetting of Pulsed-Laser-Heated Nanoscale Metal Films and Other Geometries
journal, January 2020


Hierarchical Nanoparticle Ensembles Synthesized by Liquid Phase Directed Self-Assembly
journal, January 2014

  • Fowlkes, J. D.; Roberts, N. A.; Wu, Y.
  • Nano Letters, Vol. 14, Issue 2
  • DOI: 10.1021/nl404128d

Self-Organization Based Fabrication of Bimetallic PtPd Nanoparticles on Transparent Conductive Oxide Substrates
journal, November 2017

  • Censabella, Maria; Ruffino, Francesco; Zimbone, Massimo
  • physica status solidi (a), Vol. 215, Issue 3
  • DOI: 10.1002/pssa.201700524

Investigation of a Rayleigh-Like Instability During the Solid-State Dewetting of Single-Crystal Nickel and Palladium Films
journal, July 2018

  • Jeong, Jaehoon; Choi, Kyeonggon; Ye, Jongpil
  • Journal of the Korean Physical Society, Vol. 73, Issue 1
  • DOI: 10.3938/jkps.73.90

Novel Self-Organization Mechanism in Ultrathin Liquid Films: Theory and Experiment
journal, July 2008


Competition between Collapse and Breakup in Nanometer-Sized Thin Rings Using Molecular Dynamics and Continuum Modeling
journal, September 2012

  • Nguyen, Trung Dac; Fuentes-Cabrera, Miguel; Fowlkes, Jason D.
  • Langmuir, Vol. 28, Issue 39
  • DOI: 10.1021/la303093f

Contact Angle Relaxation during Droplet Spreading:  Comparison between Molecular Kinetic Theory and Molecular Dynamics
journal, April 1997

  • Blake, T. D.; Clarke, A.; De Coninck, J.
  • Langmuir, Vol. 13, Issue 7
  • DOI: 10.1021/la962004g

Magnetic properties of bimetallic Au/Co nanoparticles prepared by thermal laser treatment
journal, July 2016


Signatures of the Rayleigh-Plateau Instability Revealed by Imposing Synthetic Perturbations on Nanometer-Sized Liquid Metals on Substrates
journal, July 2012

  • Fowlkes, Jason; Horton, Scott; Fuentes-Cabrera, Miguel
  • Angewandte Chemie International Edition, Vol. 51, Issue 35
  • DOI: 10.1002/anie.201202113

Laser-induced short- and long-range orderings of Co nanoparticles on SiO2
journal, April 2006

  • Favazza, C.; Trice, J.; Krishna, H.
  • Applied Physics Letters, Vol. 88, Issue 15
  • DOI: 10.1063/1.2195113

Nanoparticle assembly via the dewetting of patterned thin metal lines: Understanding the instability mechanisms
journal, February 2009


Solid-State Dewetting of Thin Films
journal, August 2012