Simulation of charge packet formation in layered polymer film

Lean, Meng H.; Chu, Wei-Ping L.

doi:10.1108/compel-09-2013-0291

Cited by 11 publications

(12 citation statements)

References 19 publications

(36 reference statements)

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“…Details on the computation of these integrals are discussed in detail for axisymmetric and 2D geometries. 13,15 Discretized forms of these three equations are solved simultaneously for r(s) on electrodes and c(c) on interfaces. Equations (7) to (9) invoke superposition of sources that include free charge, r, on electrodes (S 0 ); polarization charge, c, and trapped charge, k, on material and physical interfaces (C 0 ); and mobile and trapped space charge, q in the volume (V 0 ).…”

Section: A Electrostatic Fieldsmentioning

confidence: 99%

“…Commercial software has been used to compute effective permittivity of nanocomposites. 12,13 Several models of nanoparticles are discussed in the literature, including the Tanaka Multicore 3-layer and the Lewis models. 14 The classical electrical double layer (EDL) is similar to the Lewis model and is predicated on a monopole net charge for the core.…”

Section: Introductionmentioning

confidence: 99%

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Simulation of bipolar charge transport in nanocomposite polymer films

Lean¹,

Chu²

2015

Journal of Applied Physics

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This paper describes 3D particle-in-cell simulation of bipolar charge injection and transport through nanocomposite film comprised of ferroelectric ceramic nanofillers in an amorphous polymer matrix. The classical electrical double layer (EDL) model for a monopolar core is extended (eEDL) to represent the nanofiller by replacing it with a dipolar core. Charge injection at the electrodes assumes metal-polymer Schottky emission at low to moderate fields and Fowler-Nordheim tunneling at high fields. Injected particles migrate via field-dependent Poole-Frenkel mobility and recombine with Monte Carlo selection. The simulation algorithm uses a boundary integral equation method for solution of the Poisson equation coupled with a second-order predictor-corrector scheme for robust time integration of the equations of motion. The stability criterion of the explicit algorithm conforms to the Courant-Friedrichs-Levy limit assuring robust and rapid convergence. The model is capable of simulating a wide dynamic range spanning leakage current to pre-breakdown. Simulation results for BaTiO 3 nanofiller in amorphous polymer matrix indicate that charge transport behavior depend on nanoparticle polarization with anti-parallel orientation showing the highest leakage conduction and therefore lowest level of charge trapping in the interaction zone. Charge recombination is also highest, at the cost of reduced leakage conduction charge. The eEDL model predicts the meandering pathways of charge particle trajectories. V C 2015 AIP Publishing LLC. [http://dx.

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Section: A Electrostatic Fieldsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Simulation of bipolar charge transport in nanocomposite polymer films

Lean¹,

Chu²

2015

Journal of Applied Physics

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“…Bipolar charge transport models capable of handling leakage current up to pre-breakdown levels have been successfully applied to layered polymer films [4,5,6]. Continuum charge transport models are not suited to simulate material with morphology at the nanometer length scale.…”

Section: Introductionmentioning

confidence: 99%

Effect of degree of crystallinity on charge transport in ferroelectric semicrystalline polymer film

Lean¹,

Chu²

2015

IEEE Trans. Dielect. Electr. Insul.

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This paper describes 3D particle-in-cell (PIC) simulation of charge injection and transport through ferroelectric semicrystalline polymer (e.g. PVDF) film comprised of nanocrystallites in an amorphous matrix with varying degrees of crystallinity. The classical electrical double layer (EDL) model for a monopolar core is extended (eEDL) to represent the nanocrystallite by replacing it with a dipolar core. Charge injection at the electrodes assumes metal-polymer Schottky emission at low to moderate fields and Fowler-Nordheim tunneling at high fields. Injected particles propagate via field-dependent Poole-Frenkel mobility. In the eEDL model, the initial attachment of charge particles forms the bound Stern-Helmholtz layer leading to Maxwell-Wagner-Sillars polarization. Subsequent waves of charge particles are repelled by the attached charge resulting in the diffuse Gouy- Chapman transport layer. The simulation algorithm uses a boundary integral equation method (BIEM) for solution of the Poisson equation coupled with a second-order predictorcorrector scheme for robust time integration of the equations of motion. The stability criterion of the explicit algorithm conforms to the Courant-Friedrichs-Levy (CFL) limitassuring robust and rapid convergence. The model is capable of simulating a wide dynamic range spanning leakage current to pre-breakdown levels. Simulation results for semicrystalline film with varying degrees of crystallinity indicate that charge transport behavior depends on nanoparticle polarization with anti-parallel orientation showing the highest conduction and therefore lowest level of charge trapping in the interaction zone. Charge attachment to nanocrystallites increase with vol% loading or degree of crystallinity, and saturates at 40 vol% for the set of simulation parameters. The eEDL model predicts the intuitive meandering pathways of charge particle trajectories, which get progressively more inclined from normal incidence with increasing vol% loading.

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“…Singular kernels are accurately computed using minimumorder sampling by tying the quadrature weight function to the singularity. Details on the computation of these integrals are discussed in detail for axisymmetric and 2D geometries [19,20]. Discretized forms of these three equations are solved simultaneously for ( ) on electrodes and ( ) on interfaces.…”

Section: Journal Of Polymersmentioning

confidence: 99%

“…Bipolar charge transport models capable of handling leakage current up to prebreakdown levels have been successfully applied to layered polymer films [17][18][19]. Continuum charge transport models are not suited to simulate material with morphology, especially at the nanometer length scale.…”

Section: Current Simulation Effortsmentioning

confidence: 99%

Model for Charge Transport in Ferroelectric Nanocomposite Film

Lean¹,

Chu²

2015

Journal of Polymers

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This paper describes 3D particle-in-cell simulation of charge injection and transport through nanocomposite film comprised of ferroelectric ceramic nanofillers in an amorphous polymer matrix and/or semicrystalline ferroelectric polymer with varying degrees of crystallinity. The classical electrical double layer model for a monopolar core is extended to represent the nanofiller/nanocrystallite by replacing it with a dipolar core. Charge injection at the electrodes assumes metal-polymer Schottky emission at low to moderate fields and Fowler-Nordheim tunneling at high fields. Injected particles propagate via field-dependent Poole-Frenkel mobility. The simulation algorithm uses a boundary integral equation method for solution of the Poisson equation coupled with a second-order predictor-corrector scheme for robust time integration of the equations of motion. The stability criterion of the explicit algorithm conforms to the Courant-Friedrichs-Levy limit assuring robust and rapid convergence. Simulation results for BaTiO 3 nanofiller in amorphous polymer matrix and semicrystalline PVDF with varying degrees of crystallinity indicate that charge transport behavior depends on nanoparticle polarization with antiparallel orientation showing the highest conduction and therefore the lowest level of charge trapping in the interaction zone. Charge attachment to nanofillers and nanocrystallites increases with vol% loading or degree of crystallinity and saturates at 30-40 vol% for the set of simulation parameters.

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Simulation of charge packet formation in layered polymer film

Cited by 11 publications

References 19 publications

Simulation of bipolar charge transport in nanocomposite polymer films

Simulation of bipolar charge transport in nanocomposite polymer films

Effect of degree of crystallinity on charge transport in ferroelectric semicrystalline polymer film

Model for Charge Transport in Ferroelectric Nanocomposite Film

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