Atomistic modeling of La3+ doping segregation effect on nanocrystalline yttria-stabilized zirconia

The effect of La3+ doping on the structure and ionic conductivity change in nanocrystalline yttria-stabilized zirconia (YSZ) was studied using a combination of Monte Carlo and molecular dynamics simulations.

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Nanoindentation of single-crystal and polycrystalline yttria-stabilized zirconia: A comparative study by experiments and molecular dynamics simulations

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2021.160336 ◽

2021 ◽

pp. 160336

Author(s):

Jianli Zhou ◽

Zhenjun Jiao ◽

Jin Zhang ◽

Zheng Zhong

Keyword(s):

Molecular Dynamics ◽

Comparative Study ◽

Single Crystal ◽

Molecular Dynamics Simulations ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

Dynamics Simulations

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Alternate Current Nonequilibrium Molecular Dynamics Simulations of Yttria-Stabilized Zirconia†

The Journal of Physical Chemistry C ◽

10.1021/jp0741152 ◽

2007 ◽

Vol 111 (43) ◽

pp. 15832-15838 ◽

Cited By ~ 4

Author(s):

Qingyin Zhang ◽

Kwong-Yu Chan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Alternate Current ◽

Yttria Stabilized Zirconia ◽

Nonequilibrium Molecular Dynamics ◽

Stabilized Zirconia ◽

Dynamics Simulations

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Mechanical properties of yttria-stabilized zirconia: A study by ReaxFF molecular dynamics simulations

Mechanics of Materials ◽

10.1016/j.mechmat.2020.103542 ◽

2020 ◽

Vol 149 ◽

pp. 103542

Author(s):

Jianli Zhou ◽

Jin Zhang ◽

Zheng Zhong

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

Dynamics Simulations

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Molecular dynamics simulations of oxygen ion diffusion in yttria-stabilized zirconia

Physica A Statistical Mechanics and its Applications ◽

10.1016/s0378-4371(02)00595-2 ◽

2002 ◽

Vol 309 (1-2) ◽

pp. 35-44 ◽

Cited By ~ 17

Author(s):

T. Pramananda Perumal ◽

V. Sridhar ◽

K.P.N. Murthy ◽

K.S. Easwarakumar ◽

S. Ramasamy

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Yttria Stabilized Zirconia ◽

Ion Diffusion ◽

Stabilized Zirconia ◽

Oxygen Ion ◽

Dynamics Simulations ◽

Oxygen Ion Diffusion

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Molecular dynamics simulations of yttria-stabilized zirconia

Chemical Physics Letters ◽

10.1016/s0009-2614(95)01231-1 ◽

1995 ◽

Vol 247 (4-6) ◽

pp. 386-390 ◽

Cited By ~ 62

Author(s):

H.W. Brinkman ◽

W.J. Briels ◽

H. Verweij

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

Dynamics Simulations

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Radiation damage in cubic ZrO2 and yttria-stabilized zirconia from molecular dynamics simulations

Scripta Materialia ◽

10.1016/j.scriptamat.2014.10.036 ◽

2015 ◽

Vol 98 ◽

pp. 16-19 ◽

Cited By ~ 13

Author(s):

Dilpuneet S. Aidhy ◽

Yanwen Zhang ◽

William J. Weber

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Radiation Damage ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

Dynamics Simulations

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Corrigendum to “Monte Carlo and molecular dynamics simulations of screw dislocation locking by Cottrell atmospheres in low carbon Fe–C alloys” [Scripta Materialia 108 (2015) 19–22]

Scripta Materialia ◽

10.1016/j.scriptamat.2016.07.026 ◽

2016 ◽

Vol 124 ◽

pp. 198

Author(s):

R.G.A. Veiga ◽

H. Goldenstein ◽

M. Perez ◽

C.S. Becquart

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulations ◽

Screw Dislocation ◽

Low Carbon ◽

Dynamics Simulations ◽

Cottrell Atmospheres

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Monte Carlo and Molecular Dynamics Simulations suggest controlled release of corticosteroids from mesoporous host MIL-101 (Cr)

Molecular Simulation ◽

10.1080/08927022.2021.1991579 ◽

2021 ◽

pp. 1-10

Author(s):

Merve Ayvaz Koroglu ◽

Ozge Kurkcuoglu ◽

Fethiye Aylin Sungur

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Controlled Release ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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A Study of Permeation of n-Butane through ZSM-5 Membrane by Using Monte Carlo and Equilibrium/Non-Equilibrium Molecular Dynamics Simulations.

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN ◽

10.1252/jcej.36.313 ◽

2003 ◽

Vol 36 (3) ◽

pp. 313-321 ◽

Cited By ~ 5

Author(s):

Shin-ichi Furukawa ◽

Tomoshige Nitta

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulations ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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Pb/Cu (100) surface superstructures: Monte Carlo and molecular dynamics simulations

Surface Science ◽

10.1016/s0039-6028(97)00540-2 ◽

1997 ◽

Vol 392 (1-3) ◽

pp. 163-172 ◽

Cited By ~ 8

Author(s):

S. Tan ◽

A. Ghazali ◽

J.C.S. Le´vy

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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