Multi-field modelling of hydride forming metals Part II: Application to fracture

Jernkvist, Lars Olof

doi:10.1016/j.commatsci.2013.11.035

“…Over the years, numerous models have been developed to describe the formation of a second phase at a flaw tip in a variety of crystalline materials (Varias and Massih 2002;Deschamps and Bréchet 1998;Gómez-Ramírez and Pound 1973;Boulbitch and Korzhenevskii 2016;Léonard and Desai 1998;Hin et al 2008;Massih 2011a;Bjerkén and Massih 2014;Jernkvist and Massih 2014;Jernkvist 2014). Among those are the models resting on the phase-field approach based on Ginzburg-Landau theory, see e.g.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulations of liquid crystalline phases of dodecyltrimethylammonium chloride

Kocherbitov

¹

2015

Journal of Molecular Liquids

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The formation of a second phase in presence of a crack in a crystalline material is modelled and studied for different prevailing conditions in order to predict and a posteriori prevent failure, e.g. by delayed hydride cracking. To this end, the phase field formulation of Ginzburg-Landau is selected to describe the phase transformation, and simulations using the finite volume method are performed for a wide range of material properties. A sixth order Landau potential for a single structural order parameter is adopted because it allows the modeling of both first and second order transitions and its corresponding phase diagram can be outlined analytically. The elastic stress field induced by the crack is found to cause a space-dependent shift in the transition temperature, which promotes a second-phase precipitation in vicinity of the crack tip. The spatiotemporal evolution during nucleation and growth is successfully monitored for different combinations of material properties and applied loads. Results for the second-phase shape and size evolution are presented and discussed for a number of selected characteristic cases. The numerical results at steady state are compared to mean-field equilibrium solutions and a good agreement is achieved. For materials applicable to the model, the results can be used to predict the evolution of an eventual second-phase formation through a dimen-

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“…Over the years, numerous models have been developed to describe the formation of a second phase at a flaw tip in a variety of crystalline materials (Varias and Massih 2002;Deschamps and Bréchet 1998;Gómez-Ramírez and Pound 1973;Boulbitch and Korzhenevskii 2016;Léonard and Desai 1998;Hin et al 2008;Massih 2011a;Bjerkén and Massih 2014;Jernkvist and Massih 2014;Jernkvist 2014). Among those are the models resting on the phase-field approach based on Ginzburg-Landau theory, see e.g.…”

Section: Introductionmentioning

confidence: 99%

Phase structural ordering kinetics of second-phase formation in the vicinity of a crack

Nigro

¹

,

Bjerkén

²

,

Olsson

³

2017

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The formation of a second phase in presence of a crack in a crystalline material is modelled and studied for different prevailing conditions in order to predict and a posteriori prevent failure, e.g. by delayed hydride cracking. To this end, the phase field formulation of Ginzburg-Landau is selected to describe the phase transformation, and simulations using the finite volume method are performed for a wide range of material properties. A sixth order Landau potential for a single structural order parameter is adopted because it allows the modeling of both first and second order transitions and its corresponding phase diagram can be outlined analytically. The elastic stress field induced by the crack is found to cause a space-dependent shift in the transition temperature, which promotes a second-phase precipitation in vicinity of the crack tip. The spatiotemporal evolution during nucleation and growth is successfully monitored for different combinations of material properties and applied loads. Results for the second-phase shape and size evolution are presented and discussed for a number of selected characteristic cases. The numerical results at steady state are compared to mean-field equilibrium solutions and a good agreement is achieved. For materials applicable to the model, the results can be used to predict the evolution of an eventual second-phase formation through a dimen-

show abstract

“…This is certainly also satisfied during the load and temperature hold periods. As opposed to modelling hydrogen interstitials as spherical misfits [14,15] explicitly, the elastic dipole tensor is used to capture the long-range stresses generated by the point defect of each hydrogen atom, occupying the tetrahedral interstitial site in a zirconium crystal shown in Figure 3(a). Based on Neumann's principle, the anisotropy of hydrogen concentration in a crystal is conveyed by the rotational symmetries of the elastic dipole tensor, which is fully detailed and computed using density functional theory (DFT) in [38].…”

Section: Steady-state Hydrogen Concentration Using Atomistic Elastic ...mentioning

confidence: 99%

“…The fuel performance code BISON uses the effects of mass and temperature gradients for simulating the hydrogen distribution at the macroscopic scale [13]. By incorporating hydrostatic-stress-induced hydrogen flux, the effect of stress raisers resulting from component geometry can be simulated under thermo-mechanical loading [14,15]. These models attempt to address the combined effects of temperature, stress and oxidation on hydrogen transportation within components.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen concentration and hydrides in Zircaloy-4 during cyclic thermomechanical loading

Liu

¹

,

Chamaa

²

,

Wenman

³

et al. 2021

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Multi-field modelling of hydride forming metals Part II: Application to fracture

Cited by 18 publications

References 73 publications

Molecular dynamics simulations of liquid crystalline phases of dodecyltrimethylammonium chloride

Molecular dynamics simulations of liquid crystalline phases of dodecyltrimethylammonium chloride

Phase structural ordering kinetics of second-phase formation in the vicinity of a crack

Hydrogen concentration and hydrides in Zircaloy-4 during cyclic thermomechanical loading

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