Molecular Dynamics Simulation of Ni Nanoparticles Sintering Process in Ni/YSZ Multi-Nanoparticle System

No abstract is available for this paper.

• Publication year

  2013

• Venue

  Journal of Physical Chemistry C

• Publication date

  2013-05-01

• Fields of study

  Materials Science, Chemistry, Engineering

• Identifiers
  DOI 10.1021/JP310920D
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• Sintering Rate and Mechanism of TiO2 Nanoparticles by Molecular Dynamics.

  2011cited by this paper
• Molecular dynamics simulation of the sintering of metallic nanoparticles

  2010cited by this paper
• Computational Modeling Study of Bulk and Surface of Yttria-Stabilized Cubic Zirconia

  2009cited by this paper
• Sintering of titanium dioxide nanoparticles: a comparison between molecular dynamics and phenomenological modeling

  2008cited by this paper
• Neutral fitness landscapes in signalling networks

  2007cited by this paper
• Theoretical Investigation of the Deposition of Cu, Ag, and Au Atoms on the ZrO2(111) Surface

  2007cited by this paper
• Molecular dynamics simulation and continuum modeling of straight-chain aggregate sintering : Development of a phenomenological scaling law

  2007cited by this paper
• Engineering porous materials for fuel cell applications

  2006cited by this paper
• Solid Oxide Fuel Cells: Technology Status

  2005cited by this paper
• Molecular dynamics simulation of titanium dioxide nanoparticle sintering.

  2005cited by this paper
• On the coalescence of gold nanoparticles

  2004cited by this paper
• Effect of Nickel Oxide/Yttria‐Stabilized Zirconia Anode Precursor Sintering Temperature on the Properties of Solid Oxide Fuel Cells

  2004cited by this paper
• Advanced anodes for high-temperature fuel cells

  2004cited by this paper
• A review of anode materials development in solid oxide fuel cells

  2004cited by this paper
• Preparation and properties of Ni/YSZ anode by coating precipitation method

  2004cited by this paper
• Ab initio study of yttria-stabilized cubic zirconia surfaces

  2004cited by this paper
• Sintering behavior of Ni/Y2O3-ZrO2cermet electrodes of solid oxide fuel cells

  2003cited by this paper
• Solid oxide fuel cells.

  2003cited by this paper
• A review on the status of anode materials for solid oxide fuel cells

  2003cited by this paper
• Structure – Property Relationships of Ni/YSZ and Ni/(YSZ+TiO2) Cermets

  2001cited by this paper
• Microstructure of Ni/YSZ cermets according to particle size of precursor powders and their anodic performances in SOFC

  2000cited by this paper
• Advances in solid oxide fuel cell technology

  2000cited by this paper
• From molecules to solids with the DMol3 approach

  2000cited by this paper
• Nickel coarsening in annealed Ni/8YSZ anode substrates for solid oxide fuel cells

  2000cited by this paper
• Potential Energy Surface and Dynamics of Pd/MgO(001) System as Investigated by Periodic Density Functional Calculations and Classical Molecular Dynamics Simulations

  2000cited by this paper
• Nanoparticle sintering simulations

  1998cited by this paper
• Molecular dynamics simulation of enhanced oxygen ion diffusion in strained yttria-stabilized zirconia

  1998cited by this paper
• Sintering of aluminum nanoparticles : A molecular dynamics study

  1998cited by this paper
• Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

  1997cited by this paper
• Molecular dynamics study of epitaxial growth and cluster formation on MgO(001)

  1997cited by this paper
• Molecular dynamics simulation for ultrafine gold particles deposited on metal oxides

  1997cited by this paper
• Sintering processes of two nanoparticles: A study by molecular dynamics simulations

  1996cited by this paper
• Generalized Gradient Approximation Made Simple.

  1996cited by this paper
• Characterization of Ni‐YSZ Anode Degradation for Substrate‐Type Solid Oxide Fuel Cells

  1996cited by this paper
• Atomic‐scale formation of ultrasmooth surfaces on sapphire substrates for high‐quality thin‐film fabrication

  1995cited by this paper
• Atomic Control of Ultrafine Gold Particles on MgO(100) as Investigated by Molecular Dynamics and Computer Graphics

  1995cited by this paper
• Atomic processes in the deposition and sintering of ultrafine metal particles on MgO(001) as investigated by molecular dynamics and computer graphics

  1994cited by this paper
• Ceramic Fuel Cells

  1993cited by this paper
• Surface melting in Ni55

  1993cited by this paper
• An all‐electron numerical method for solving the local density functional for polyatomic molecules

  1990cited by this paper
• Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

  1967cited by this paper
• An Algorithm for Least-Squares Estimation of Nonlinear Parameters

  1963cited by this paper
• Application of the Morse Potential Function to Cubic Metals

  1959cited by this paper
• A METHOD FOR THE SOLUTION OF CERTAIN NON – LINEAR PROBLEMS IN LEAST SQUARES

  1944cited by this paper

• Effect of temperature and velocity on deformation behavior and frictional properties of rough surface at the nanoscale

  2025cites this paper
• Orientation-Dependent Reinforcing Mechanisms of SiC/Carbon Nanotube Composites: A Reactive Molecular Dynamics Simulation Study

  2025cites this paper
• Anisotropic Shrinkage of Binder Jetted Components: Simulation and In Situ Experimental Measurement for Validation

  2025cites this paper
• Exploring Mass Transfer Mechanisms in Sintering Processes through Molecular Dynamics Simulation

  2024cites this paper
• Sintering Mechanism of Fe2O3 Particles during Iron-Based Chemical Looping Combustion by Using ReaxFF MD Simulation and Experiments

  2024cites this paper
• Ammonia partial cracking over low-cost Ni catalysts for enhancing combustion

  2024cites this paper
• Examining solid-state sintering of AlCoCrFeNi multi-principal element alloy by molecular simulations

  2023cites this paper
• Grain boundary effects on thermal shock responses of yttria-stabilized zirconia

  2023cites this paper
• Design and catalytic performance of Cu/?-Al2O3?for electrocatalytic methanol oxidation reaction by using density functional theory and molecular dynamics

  2023cites this paper
• Modeling of Solid Oxide Fuel Cell Sintering Stress and Deformation

  2023cites this paper
• Modeling and prediction of structural/thermophysical properties of sintered NiO/YSZ anode for SOFC by molecular dynamics method

  2023cites this paper
• High-Density Monodispersed Nickel Nanoparticles as Highly Functional and Thermally Robust Catalysts for Solid Oxide Fuel Cells

  2023cites this paper
• Modeling and Simulation of Sintering Process Across Scales

  2022cites this paper
• Interphase mechanical behaviors of nickel/yttria-stabilized zirconia cermets: A study by nanoindentation and molecular dynamics simulations

  2022cites this paper
• In-situ analysis of anode atmosphere in a flat-tube solid oxide fuel cell operated with dry reforming of methane

  2022cites this paper
• Contribution of DFT to the optimization of Ni-based catalysts for dry reforming of methane: a review

  2022cites this paper
• Shear thinning molecular dynamics simulation of binder solution for 3D printing alumina

  2022cites this paper
• Pore-scale modeling of complex transport phenomena in porous media

  2022cites this paper
• Modeling and evaluation of sintered microstructure and its properties for rSOFC fuel electrodes by coarse-grained molecular dynamics

  2022cites this paper
• Simulation of densification behavior of nano-powder in final sintering stage: Effect of pore-size distribution

  2021cites this paper
• Sintering and deposition of homo- and heteronanoparticles of aluminum and nickel on aluminum (100) substrate

  2021cites this paper
• Numerical simulation and experimental measurement of pressureless sintering of stainless steel part printed by Binder Jetting Additive Manufacturing

  2021cites this paper
• Study on the long-term discharge and redox stability of symmetric flat-tube solid oxide fuel cells

  2021cites this paper
• Melting Behavior of Bimetallic and Trimetallic Nanoparticles: A Review of MD Simulation Studies

  2021cites this paper
• One-step photonic curing of screen-printed conductive Ni flake electrodes for use in flexible electronics

  2021cites this paper
• Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method

  2020cites this paper
• Atomistic mechanisms study of the carbonation reaction of CaO for high-temperature CO2 capture

  2020cites this paper
• The physical properties and effects of sintering conditions on rSOFC fuel electrodes evaluated by molecular dynamics simulation

  2020cites this paper
• Development of nickel based cermet anode materials in solid oxide fuel cells – Now and future

  2020cites this paper
• Connecting Theory with Experiment to Understand the Sintering Processes of Ag Nanoparticles

  2019cites this paper
• Multiscale simulation on thermal stability of supported metal nanocatalysts

  2019cites this paper
• Acetone adsorption to (BeO)12, (MgO)12 and (ZnO)12 nanoparticles and their graphene composites: A density functional theory (DFT) study

  2019cites this paper
• Multiscale Simulation of Morphology Evolution of Supported Pt Nanoparticles via Interfacial Control.

  2019cites this paper
• 2D-3D transformation of palladium and gold nanoparticles on functionalized Mo2C by multiscale simulation

  2019cites this paper
• Towards a realistic prediction of sintering of solid oxide fuel cell electrodes: From tomography to discrete element and kinetic Monte Carlo simulations

  2018cites this paper
• Mass Transport of Metallic Nanostructures during Sintering Process: A Molecular Dynamics Perspective

  2018cites this paper
• Molecular Dynamics Simulation of the Microscopic Sintering Process of CuO Nanograins Inside an Oxygen Carrier Particle

  2018cites this paper
• Effect of cation dopants in zirconia on interfacial properties in nickel/zirconia systems: an atomistic modeling study

  2017cites this paper
• Sintering of multiple Cu–Ag core–shell nanoparticles and properties of nanoparticle-sintered structures

  2017cites this paper
• Simulation study on the melting process of nano-corundum

  2017cites this paper
• Sintering process simulation of a solid oxide fuel cell anode and its predicted thermophysical properties

  2017cites this paper
• Prediction of La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3 cathode microstructures during sintering: Kinetic Monte Carlo (KMC) simulations calibrated by artificial neural networks

  2017cites this paper
• Parallel Large-Scale Molecular Dynamics Simulation Opens New Perspective to Clarify the Effect of a Porous Structure on the Sintering Process of Ni/YSZ Multiparticles.

  2017cites this paper
• A comparative study of different sintering models for Al2O3

  2016cites this paper
• Sintering phenomena and mechanical strength of nickel based materials in direct metal laser sintering process—a molecular dynamics study

  2016cites this paper
• A theoretical study on sintering of Ni nanoparticles in the anode of solid oxide fuel cell under water vapor environment

  2016cites this paper
• Sintering of Nanostructured Zirconia: A Molecular Dynamics Study

  2016cites this paper
• Multi-nanoparticle model simulations of the porosity effect on sintering processes in Ni/YSZ and Ni/ScSZ by the molecular dynamics method

  2015cites this paper
• Thermal aging stability of infiltrated solid oxide fuel cell electrode microstructures: A three-dimensional kinetic Monte Carlo simulation

  2015cites this paper
• Molecular dynamics simulation of Ni/Cu-Ni nanoparticles sintering under various crystallographic, thermodynamic and multi-nanoparticles conditions

  2015cites this paper
• Development of bilayer glass-ceramic SOFC sealants via optimizing the chemical composition of glasses—a review

  2015cites this paper
• Effect of strontium-to-calcium ratio on the structure, crystallization behavior and functional properties of diopside-based glasses

  2014cites this paper
• Sintering simulation for porous material by integrating molecular dynamics and master sintering curve

  2014cites this paper
• N2O Pulse Titration of Ni/α-Al2O3 Catalysts: A New Technique Applicable to Nickel Surface-Area Determination of Nickel-Based Catalysts

  2013cites this paper