Strain-induced structural changes and chemical reactions—I. Thermomechanical and kinetic models

Levitas, Valery I.; Nesterenko, V. F.; Meyers, Marc A.

doi:10.1016/s1359-6454(98)00215-8

Cited by 44 publications

(30 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This electrocapillary coupling is significant for the surface electronic structure [1][2][3] and for the charge transfer during electrosorption. 4,5 Electrocapillary coupling is also intricately connected to catalysis with strained layers, a current issue in modeling [6][7][8] and experiment. [9][10][11][12] It has been shown that the electrocapillary coupling parameters measure the variation of the adsorption enthalpies and barrier heights with strain.…”

Section: Introductionmentioning

confidence: 99%

Electrocapillary coupling at rough surfaces

Deng

Gosslar

Smetanin

et al. 2015

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

We investigate the impact of the surface roughness on the experimental value of the electrocapillary coupling coefficient, B. This quantity relates the response of electrode potential, E, to tangential elastic strain, e, and also measures the variation of the surface stress, f, with the superficial charge density, q. We combine experiments measuring the apparent coupling coefficient B eff for gold thin film electrodes in weakly adsorbing electrolyte with data for the surface roughness determined by atomic force microscopy and by the capacitance ratio method. We find that even moderate roughness has a strong impact on the value of B eff . Analyzing the mechanics of corrugated surfaces affords a correction scheme yielding values of B that are invariant with roughness and that agree with expectations for the true coupling coefficient on ideal, planar surfaces. The correction is simple and readily applied to experiments measuring B eff from surface stress changes in cantilever bending studies or from the potential variation in dynamic electrochemo-mechanical analysis.

show abstract

Section: Introductionmentioning

confidence: 99%

Electrocapillary coupling at rough surfaces

Deng

Gosslar

Smetanin

et al. 2015

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

“…As examples, we can mention syntheses of materials using mechanical activation and alloying; 1,2 shear ignition of energetic and explosive materials, particularly in shear bands; 3,4 PT during the extrusion process; initiation of earthquake via PT in shear band; 5 and high-pressure search for new phases and reactions. Other examples include processes during penetration in various materials, such as armor ceramics and geomaterials, and during cutting and polishing of semiconducting and ceramics materials ͑such as Si, Ge, and SiC͒.…”

Section: Introductionmentioning

confidence: 99%

Modeling and simulation of strain-induced phase transformations under compression in a diamond anvil cell

2010

View full text Add to dashboard Cite

Strain-induced phase transformations (PTs) under high-pressure differ fundamentally from the pressureinduced PTs under quasihydrostatic conditions. A model and finite-element approach to strain-induced PTs under compression and torsion of a sample in rotational diamond anvil cell are developed. The current paper is devoted to the numerical study of strain-induced PTs under compression in traditional diamond anvils while the accompanying paper [ V. I. Levitas and O. M. Zarechnyy Phys. Rev. B 82 174124 (2010)] is concerned with compression and torsion in rotational anvils. Very heterogeneous fields of stress tensor, accumulated plastic strain, and concentration of the high-pressure phase are determined for three ratios of yield strengths of low-pressure and high-pressure phases. PT kinetics depends drastically on the yield strengths ratios. For a stronger high-pressure phase, an increase in strength during PT increases pressure and promotes PT, serving as a positive mechanochemical feedback; however, maximum pressure in a sample is much larger than required for PT. For a weaker high-pressure phase, strong strain and high-pressure phase localization and irregular stress fields are obtained. Various experimentally observed effects are reproduced and interpreted. Obtained results revealed difficulties in experimental characterization of strain-induced PTs and suggested some ways to overcome them. Strain-induced phase transformations ͑PTs͒ under high-pressure differ fundamentally from the pressureinduced PTs under quasihydrostatic conditions. A model and finite-element approach to strain-induced PTs under compression and torsion of a sample in rotational diamond anvil cell are developed. The current paper is devoted to the numerical study of strain-induced PTs under compression in traditional diamond anvils while the accompanying paper ͓V. I. Levitas and O. M. Zarechnyy, Phys. Rev. B 82, 174124 ͑2010͔͒ is concerned with compression and torsion in rotational anvils. Very heterogeneous fields of stress tensor, accumulated plastic strain, and concentration of the high-pressure phase are determined for three ratios of yield strengths of low-pressure and high-pressure phases. PT kinetics depends drastically on the yield strengths ratios. For a stronger high-pressure phase, an increase in strength during PT increases pressure and promotes PT, serving as a positive mechanochemical feedback; however, maximum pressure in a sample is much larger than required for PT. For a weaker high-pressure phase, strong strain and high-pressure phase localization and irregular stress fields are obtained. Various experimentally observed effects are reproduced and interpreted. Obtained results revealed difficulties in experimental characterization of strain-induced PTs and suggested some ways to overcome them.

show abstract

“…(2) leads to the maximization of the magnitude of the driving force X η , which is in line with the postulate of realizability. 7 The thermodynamic procedure 11 that led to GL equation, also results in the boundary conditions:…”

mentioning

confidence: 99%

“…11. A similar approach can be applied for sublimation and condensation, 12 amorphization and vitrification, 12 chemical reactions, 7 and other transformations for which e t is not determined by geometry, both with and without the phase-field approach.…”

mentioning

confidence: 99%