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Phase Field Theory Of Surface- And Size-Induced Microstructures, Valery I. Levitas, D.W. Lee, D. L. Preston Oct 2006

Phase Field Theory Of Surface- And Size-Induced Microstructures, Valery I. Levitas, D.W. Lee, D. L. Preston

Valery I. Levitas

New surface- and size-induced microstructures are found as analytic solutions to a phase field theory of first-order phase transformations. A recently developed exact stability criterion, based on most destabilizing fluctuations, is used to analyze the stability and physical interpretation of each microstructure. Conditions for barrierless surface nucleation, i.e. relationship between surface energy, driving force for the transformation and sample size, are found. If they are met, some of these microstructures are destroyed resulting in the barrierless transformation to alternative phases.


Ginzburg-Landau Theory Of Microstructures: Stability, Transient Dynamics, And Functionally Graded Nanophases, Valery I. Levitas, D. L. Preston, Dong Wook Lee Jul 2006

Ginzburg-Landau Theory Of Microstructures: Stability, Transient Dynamics, And Functionally Graded Nanophases, Valery I. Levitas, D. L. Preston, Dong Wook Lee

Valery I. Levitas

The stability, transient dynamics, and physical interpretation of microstructures obtained from a Ginzburg-Landau theory of first-order phase transformations are studied. The Jacobi condition for stability fails numerically, thus an alternative exact stability criterion, based on critical (most destabilizing) fluctuations, is developed. The degree-of-stability parameter is introduced to quantify the physical stability of long-lived unstable microstructures. For nanofilms, the existence of functionally graded nanophases is demonstrated. Numerical simulations indicate that graded nanophases can be produced by dissolving material from both surfaces of a nanofilm. Stability under finite fluctuations and post-bifurcation microstructure evolution are investigated numerically.


Strain-Induced Disorder, Phase Transformations, And Transformation-Induced Plasticity In Hexagonal Boron Nitride Under Compression And Shear In A Rotational Diamond Anvil Cell: In Situ X-Ray Diffraction Study And Modeling, Valery I. Levitas, Yanzhang Ma, Javad Hashemi, Mark Holtz, Necip Guven Jan 2006

Strain-Induced Disorder, Phase Transformations, And Transformation-Induced Plasticity In Hexagonal Boron Nitride Under Compression And Shear In A Rotational Diamond Anvil Cell: In Situ X-Ray Diffraction Study And Modeling, Valery I. Levitas, Yanzhang Ma, Javad Hashemi, Mark Holtz, Necip Guven

Valery I. Levitas

Plastic shear significantly reduces the phase transformation (PT) pressure when compared to hydrostatic conditions. Here, a paradoxical result was obtained: PT of graphitelike hexagonal boron nitride (hBN) to superhard wurtzitic boron nitride under pressure and shear started at about the same pressure(∼10GPa) as under hydrostatic conditions. In situ x-ray diffraction measurement and modeling of the turbostratic stacking fault concentration (degree of disorder) and PT in hBN were performed. Under hydrostaticpressure, changes in the disorder were negligible. Under a complex compression and shear loading program, a strain-induced disorder was observed and quantitatively characterized. It is found that the strain-induced disorder ...


Kinetics Of Strain-Induced Structural Changes Under High Pressure, Valery I. Levitas, Oleg M. Zarechnyy Jan 2006

Kinetics Of Strain-Induced Structural Changes Under High Pressure, Valery I. Levitas, Oleg M. Zarechnyy

Valery I. Levitas

A mechanism-based microscale kinetic theory for strain-induced structural changes (SCs) (that includes phase transformations (PTs) and chemical reactions (CRs)) is developed. Time is not an independent parameter in this theory; instead, plastic strain is a time-like parameter. Kinetics depends essentially on the ratio of the yield strengths of phases. Stationary and nonstationary solutions of the kinetic equations are analyzed for various cases, including SCs between two phases in an inert matrix and between three phases in silicon and germanium. A number of experimental phenomena are explained, and material parameters controlling the kinetics of strain-induced SCs are determined. This includes the ...


Nucleation Mechanism For Reconstructive Solid-Solid Phase Transitions Via Melt Mediated Nanocluster Transformation, Valery I. Levitas, Laura B. Smilowitz, Bryan F. Henson, Blaine W. Asay Jan 2006

Nucleation Mechanism For Reconstructive Solid-Solid Phase Transitions Via Melt Mediated Nanocluster Transformation, Valery I. Levitas, Laura B. Smilowitz, Bryan F. Henson, Blaine W. Asay

Valery I. Levitas

A general nucleation mechanism is proposed and justified thermodynamically and kinetically. The authors apply it to the β-δphase transformation (PT) in the HMX crystal. It explains the observation of a reconstructive PT very close (0.6K) to the phase equilibrium temperature, despite the large volume change and interface energy. Nanosize clusters of β phase dissolve in a liquid and transform into δ phase clusters. The liquid completely removes the elasticenergy generated by a large volume change. Cluster to cluster PT also drastically reduces the change in interfacial energy. Suggested kinetics for the β-δ PT is in good agreement with experiments..


Melt Dispersion Mechanism For Fast Reaction Of Nanothermites, Valery I. Levitas, Blaine W. Asay, Steven F. Son, Michelle Pantoya Jan 2006

Melt Dispersion Mechanism For Fast Reaction Of Nanothermites, Valery I. Levitas, Blaine W. Asay, Steven F. Son, Michelle Pantoya

Valery I. Levitas

An unexpected mechanism for fast oxidation of Alnanoparticles covered by a thin oxide shell (OS) is proposed. The volume change due to melting of Al induces pressures of 0.1–4GPa and causes spallation of the OS. A subsequent unloading wave creates high tensile pressures resulting in dispersion of liquid Al clusters, oxidation of which is not limited by diffusion (in contrast to traditional mechanisms). Physical parameters controlling this process are determined. Methods to promote this melt dispersion mechanism, and consequently, improve efficiency of energetic nanothermites are discussed.


Interfacial And Volumetric Kinetics Of The Β→Δ Phase Transition In The Energetic Nitramine Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine Based On The Virtual Melting Mechanism, Valery I. Levitas, Laura B. Smilowitz, Bryan F. Henson, Blaine W. Asay Jan 2006

Interfacial And Volumetric Kinetics Of The Β→Δ Phase Transition In The Energetic Nitramine Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine Based On The Virtual Melting Mechanism, Valery I. Levitas, Laura B. Smilowitz, Bryan F. Henson, Blaine W. Asay

Valery I. Levitas

In the recent papers, 1,2 we presented a thermodynamic and kinetic model of the β→δ phase transformation (PT) in the organic energetic crystal octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). It was based on the hypothesis that the kinetics of the β→δ PT is governed by the thermodynamics of melting of the δ phase. In particular, the activation energy for growth was found to be equal to the heat of fusion Δhδ→m . Nucleation was modeled empirically by the reversible first-order kinetics. The proposed kinetics described the experimental data quite well, however, a number of questions ...


Solid-Solid Phase Transformation Via Internal Stress-Induced Virtual Melting, Significantly Below The Melting Temperature. Application To Hmx Energetic Crystal, Valery I. Levitas, Bryan F. Henson, Laura B. Smilowitz, Blaine W. Asay Jan 2006

Solid-Solid Phase Transformation Via Internal Stress-Induced Virtual Melting, Significantly Below The Melting Temperature. Application To Hmx Energetic Crystal, Valery I. Levitas, Bryan F. Henson, Laura B. Smilowitz, Blaine W. Asay

Valery I. Levitas

We theoretically predict a new phenomenon, namely, that a solid−solid phase transformation (PT) with a large transformation strain can occur via internal stress-induced virtual melting along the interface at temperatures significantly (more than 100 K) below the melting temperature. We show that the energy of elastic stresses, induced by transformation strain, increases the driving force for melting and reduces the melting temperature. Immediately after melting, stresses relax and the unstable melt solidifies. Fast solidification in a thin layer leads to nanoscale cracking which does not affect the thermodynamics or kinetics of the solid−solid transformation. Thus, virtual melting represents ...