Coherent solid/liquid interface with stress relaxation in a phase-field approach to the melting/solidification transition

Levitas, Valery I.; Samani, Kamran

doi:10.1103/physrevb.84.140103

Cited by 62 publications

(64 citation statements)

References 19 publications

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“…For bulk Al, surface melting starts 50 K below the melting temperature [32], and the molten layer grows with increasing temperature. An advanced phase-field model for melting coupled to mechanics was developed in references [33,34]. It describes well experimental data on the temperature-dependence of the thickness of the molten layer for a bulk sample and the melting temperature versus R for bare Al particles down to R = 2 nm.…”

Section: Melting and Surface Melting Of Nanoparticlesmentioning

confidence: 99%

Mechanochemical mechanism for reaction of aluminium nano- and micrometre-scale particles

Levitas

2013

Phil. Trans. R. Soc. A.

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A recently suggested melt-dispersion mechanism (MDM) for fast reaction of aluminium (Al) nano- and a few micrometre-scale particles during fast heating is reviewed. Volume expansion of 6% during Al melting produces pressure of several GPa in a core and tensile hoop stresses of 10 GPa in an oxide shell. Such stresses cause dynamic fracture and spallation of the shell. After spallation, an unloading wave propagates to the centre of the particle and creates a tensile pressure of 3–8 GPa. Such a tensile pressure exceeds the cavitation strength of liquid Al and disperses the melt into small, bare clusters (fragments) that fly at a high velocity. Reaction of the clusters is not limited by diffusion through a pre-existing oxide shell. Some theoretical and experimental results related to the MDM are presented. Various theoretical predictions based on the MDM are in good qualitative and quantitative agreement with experiments, which resolves some basic puzzles in combustion of Al particles. Methods to control and improve reactivity of Al particles are formulated, which are exactly opposite to the current trends based on diffusion mechanism. Some of these suggestions have experimental confirmation.

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Section: Melting and Surface Melting Of Nanoparticlesmentioning

confidence: 99%

Mechanochemical mechanism for reaction of aluminium nano- and micrometre-scale particles

Levitas

2013

Phil. Trans. R. Soc. A.

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“…These contributions appear due to a heterogeneous distribution of the transformation strain and elastic moduli across a finite-width interface. Even for a solid-melt interface, elastic stresses in PFA are much higher than those obtained by molecular dynamics [28,29], which leads to contradictions with the experimental data on the size dependence of the melting temperature for Al nanoparticles [14,30]. To remedy this discrepancy, additional relaxation equations for the elastic interface stresses are suggested in [14,30] to obtain correspondence with experiments.…”

Section: Introductionmentioning

confidence: 95%

“…1a). Since, at the nano-and even microscales, interface stresses are important for solid-liquid and solid-solid interfaces, and have been broadly studied within sharp-interface approach [19][20][21][22][23][24][25][26][27] as well molecular dynamics [28,29], the interface stresses have been introduced in PFA as well, see [11,12,14,30] for melting and [31][32][33][34][35] for solid-solid PTs. Here we will follow the most advanced theories at small strains [33] and large strains [35], where a detailed literature review is presented with critical analysis of the previous approaches.…”

Section: Introductionmentioning

confidence: 99%

“…[12,14,30]. These contributions appear due to a heterogeneous distribution of the transformation strain and elastic moduli across a finite-width interface.…”

Section: Introductionmentioning

confidence: 99%

“…Thus, even for melting, when shear modulus tends to zero across an interface, introducing extra elastic interface stresses would be harmful. That is why our main hypothesis in [14,30,[32][33][34][35] is that elastic interface stresses are completely defined from the solution of the Ginzburg-Landau and mechanics equations for a PT problem. Thus, the main problem reduces to introducing the structural contribution to the interface stresses σ st (see Fig.…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamically consistent phase field theory of phase transformations with anisotropic interface energies and stresses

Levitas

Warren

2015

Phys. Rev. B

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The main focus of this paper is to introduce, in a thermodynamically consistent manner, an anisotropic interface energy into a phase field theory for phase transformations. Here we use a small strain formulation for simplicity, but we retain some geometric nonlinearities, which are necessary for introducing correct interface stresses. Previous theories have assumed the free energy density (i.e., gradient energy) is an anisotropic function of the gradient of the order parameters in the current (deformed) state, which yields a nonsymmetric Cauchy stress tensor. This violates two fundamental principles: the angular momentum equation and the principle of material objectivity.Here, it is justified that for a noncontradictory theory the gradient energy must be an isotropic function of the gradient of the order parameters in the current state, which also depends anisotropically on the direction of the gradient of the order parameters in the reference state. A complete system of thermodynamically consistent equations is presented. We find that the main contribution to the Ginzburg-Landau equation resulting from small strains arises from the anisotropy of the interface energy, which was neglected before. The explicit expression for the free energy is justified.An analytical solution for the nonequilibrium interface and critical nucleus has been found and a parametric study is performed for orientation dependence of the interface energy and width as well as the distribution of interface stresses.2

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Effects of interfacial stress in phase field approach for martensitic phase transformation in NiAl shape memory alloys

Roy

2020

Appl. Phys. A

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Coherent solid/liquid interface with stress relaxation in a phase-field approach to the melting/solidification transition

Cited by 62 publications

References 19 publications

Mechanochemical mechanism for reaction of aluminium nano- and micrometre-scale particles

Mechanochemical mechanism for reaction of aluminium nano- and micrometre-scale particles

Thermodynamically consistent phase field theory of phase transformations with anisotropic interface energies and stresses

Effects of interfacial stress in phase field approach for martensitic phase transformation in NiAl shape memory alloys

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