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Interface Reorientation During Coherent Phase Transformations, Valery I. Levitas, I. B. Ozsoy, D. L. Preston
Interface Reorientation During Coherent Phase Transformations, Valery I. Levitas, I. B. Ozsoy, D. L. Preston
Valery I. Levitas
The universal thermodynamic driving force for coherent plane interface reorientation (IR) during first-order phase transformations (PT) in solids is derived. The relation between the rates of IR and interface propagation (IP) and the corresponding driving forces are derived for combined athermal and drag interface friction. The coupled evolution of IR and IP during cubic-tetragonal and tetragonal-orthorhombic PTs under three-dimensional loading is studied. An instability in the interface orientation is shown to have the features of a first-order PT.
Plastic Flow Under Compression And Shear In Rotational Diamond Anvil Cell: Finite-Element Study, Valery I. Levitas, Oleg M. Zarechnyy
Plastic Flow Under Compression And Shear In Rotational Diamond Anvil Cell: Finite-Element Study, Valery I. Levitas, Oleg M. Zarechnyy
Valery I. Levitas
Plastic flow and the evolution of distribution of the components of stress tensor in a sample under compression and shear in rotational diamond anvil cell are studied using the finite-element method(FEM).Pressure self-multiplication effect is revealed during rotation of an anvil after compression below critical force. Significant heterogeneity of accumulated plastic strain (especially near contact surface with diamond) is found. The obtained results are important for determination and interpretation of kinetics of strain-induced phase transformations (PTs) and chemical reactions.
Coupled Phase Transformation, Chemical Decomposition, And Deformation In Plastic-Bonded Explosive: Simulations, Valery I. Levitas, Bryan F. Henson, Laura B. Smilowitz, David K. Zerkle, Blaine W. Asay
Coupled Phase Transformation, Chemical Decomposition, And Deformation In Plastic-Bonded Explosive: Simulations, Valery I. Levitas, Bryan F. Henson, Laura B. Smilowitz, David K. Zerkle, Blaine W. Asay
Valery I. Levitas
Numerical simulations of the heating with constant rate of a PBX (plastic-bonded explosive) 9501 formulation consisting of the energetic crystal HMX embedded in a polymeric binder inside of a rigid cylinder is performed. The continuum thermo-mechanochemical model of the behavior of a PBX 9501 developed in the preceding paper [V. I. Levitas, B. F. Henson, L. B. Smilowitz, D. K. Zerkle, and B. W. Asay, J. Appl. Phys.102, 113502 (2007)] is applied. The model describes the β↔δphase transformations in crystalline HMX, chemical decomposition of the HMX and binder leading to gas formation, gas leaking from the cylinder, elastic, thermal, and …
Phase Field Theory Of Surface- And Size-Induced Microstructures, Valery I. Levitas, D.W. Lee, D. L. Preston
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
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
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 suppresses …
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
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 still remain.
Melt Dispersion Mechanism For Fast Reaction Of Nanothermites, Valery I. Levitas, Blaine W. Asay, Steven F. Son, Michelle Pantoya
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.
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
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 a new …
Solid-Solid Phase Transformation Via Internal Stress-Induced Virtual Melting: Additional Confirmations, Valery I. Levitas, Laura B. Smilowitz, Bryan F. Henson, Blaine W. Asay
Solid-Solid Phase Transformation Via Internal Stress-Induced Virtual Melting: Additional Confirmations, Valery I. Levitas, Laura B. Smilowitz, Bryan F. Henson, Blaine W. Asay
Valery I. Levitas
Recently, we predicted a mechanism of solid-solid phase transformation (PT) via virtual melting at 121K below the melting temperature. We report additional experimental and theoretical results for PTs among three polymorphs of the energetic material HMX, α, β, and δ that support this mechanism. In particular: (a) the predicted velocity of interface propagation for β→δ PT and overall kinetics of δ→β PT are in agreement with experiment; (b) the energy of internal stresses is sufficient to reduce the melting temperature from 520to400K for δ→β PT; (c) the nanocracking that appears during solidification does not change the PT thermodynamics and kinetics …
Transformation-Induced Plasticity And Cascading Structural Changes In Hexagonal Boron Nitride Under High Pressure And Shear, Valery I. Levitas, Yanzhang Ma, Javad Hashemi
Transformation-Induced Plasticity And Cascading Structural Changes In Hexagonal Boron Nitride Under High Pressure And Shear, Valery I. Levitas, Yanzhang Ma, Javad Hashemi
Valery I. Levitas
In situx-ray diffraction study and modeling of the degree of disorder, s, and phase transformation (PT) in hexagonal hBN were performed. It was proven that changes in s are strain-induced and that s can be used to quantify plastic strain. During the strain-induced hBN→wurtzitic wBN PT, the transformation-induced plasticity (TRIP) was exposed and quantified. TRIP exceeds conventional plasticity by a factor of 20. Cascading structural changes were revealed. Strain-induced disorder explains why PT under hydrostatic and nonhydrostatic conditions started at the same pressure∼10GPa. For the same disorder, plastic shear reduces PT pressure by a factor of 3–4.
Strain-Induced Disorder And Phase Transformation In Hexagonal Boron Nitride Under Quasi-Homogeneous Pressure: In Situ X-Ray Study In A Rotational Diamond Anvil Cell, Valery I. Levitas, J. Hashemi, Y. Z. Ma
Strain-Induced Disorder And Phase Transformation In Hexagonal Boron Nitride Under Quasi-Homogeneous Pressure: In Situ X-Ray Study In A Rotational Diamond Anvil Cell, Valery I. Levitas, J. Hashemi, Y. Z. Ma
Valery I. Levitas
One of the challenges in characterization of strain-induced transformations is to create uniform pressure. In this letter, conditions for nearly homogeneous pressure distribution are predicted and achieved experimentally. Compared to hydrostatic loading, plastic shear generally reduces the transformation pressure significantly. We observed, however, an unexpected phenomenon: the transformation of hexagonal to superhard wurtzitic BN under pressure and shear initiated at a pressure comparable to that in hydrostatic compression ($\sim 10$ \ensuremath{{\rm ~GPa}}). In situ X-ray diffraction revealed that plastic shear increases the disorder, while hydrostatic compression does not. This increase neutralizes the transition pressure reduction caused by shear. For the …
Microscale Simulation Of Martensitic Microstructure Evolution, Valery I. Levitas, Alexander V. Idesman, Dean L. Preston
Microscale Simulation Of Martensitic Microstructure Evolution, Valery I. Levitas, Alexander V. Idesman, Dean L. Preston
Valery I. Levitas
A new model for the evolution of multivariant martensitic microstructure in single crystals and polycrystals is developed. In contrast with Landau-Ginzburg models, which are limited in practice to nanoscale specimens, this new scale-free model is valid for length scales greater than 100 nm and without an upper bound. It is based on a thermodynamic potential in the volume fractions of the martensitic variants that exhibits an instability resulting in microstructure formation. Simulated microstructures in elastic single crystals and polycrystals under uniaxial loading are in qualitative agreement with those observed experimentally.
Solid-Solid Phase Transformation Via Virtual Melting Significantly Below The Melting Temperature, Valery I. Levitas, Bryan F. Henson, Laura B. Smilowitz, Blaine W. Asay
Solid-Solid Phase Transformation Via Virtual Melting Significantly Below The Melting Temperature, Valery I. Levitas, Bryan F. Henson, Laura B. Smilowitz, Blaine W. Asay
Valery I. Levitas
A new phenomenon is theoretically predicted, namely, that solid-solid transformation with a relatively large transformation strain can occur through virtual melting along the interface at temperatures significantly (more than 100 K) below the melting temperature. The energy of elastic stresses, induced by transformation strain, increases the driving force for melting and reduces the melting temperature. Immediately after melting, the stresses relax and the unstable melt solidifies. Fast solidification in a thin layer leads to nanoscale cracking, which does not affect the thermodynamics and kinetics of solid-solid transformation. Seven theoretical predictions are in quantitative agreement with experiments conducted on the β→δ …
A Microscale Model For Strain-Induced Phase Transformations And Chemical Reactions Under High Pressure, Valery I. Levitas
A Microscale Model For Strain-Induced Phase Transformations And Chemical Reactions Under High Pressure, Valery I. Levitas
Valery I. Levitas
A simple strain-controlled kinetic equation for strain-induced phase transformations and chemical reactions is thermodynamically derived. This model is applied to explain various mechanochemical phenomena observed under compression and shear of materials in diamond or Bridgman anvils. In particular, it explains zero-pressure hysteresis and the appearance of new phases, especially strong phases, which were not obtained without shear. Also an explanation was obtained as to why a nonreacting matrix with a yield stress higher (lower) than that for reagents significantly accelerates (slows down) the reactions. Some methods to characterize and control strain-induced transformations and reactions are suggested.
Three-Dimensional Landau Theory For Multivariant Stress-Induced Martensitic Phase Transformations. Iii. Alternative Potentials, Critical Nuclei, Kink Solutions, And Dislocation Theory, Valery I. Levitas, Dean L. Preston, Dong Wook Lee
Three-Dimensional Landau Theory For Multivariant Stress-Induced Martensitic Phase Transformations. Iii. Alternative Potentials, Critical Nuclei, Kink Solutions, And Dislocation Theory, Valery I. Levitas, Dean L. Preston, Dong Wook Lee
Valery I. Levitas
In part III of this paper, alternative Landau potentials for the description of stress-and temperature-induced martensitic phase transformations under arbitrary three-dimensional loading are obtained. These alternative potentials include a sixth-degree (2-4-6) polynomial in Cartesian order parameters and a potential in hyperspherical order parameters. Each satisfies all conditions for the correct description of experiments. The unique features of the potentials are pointed out and a detailed comparison of the potentials is made for NiAl alloy. Analytic solutions of the one-dimensional time-independent Ginzburg-Landau equations for the 2-3-4 and 2-4-6 potentials for a constant-stress tensor and invariant-plane strain are obtained and compared. Solutions …
Low-Pressure Phase Transformation From Rhombohedral To Cubic Bn: Experiment And Theory, Valery I. Levitas, Leonid K. Shvedov
Low-Pressure Phase Transformation From Rhombohedral To Cubic Bn: Experiment And Theory, Valery I. Levitas, Leonid K. Shvedov
Valery I. Levitas
An irreversible phase transformation (PT) from the rhombohedral phase of boron nitride rBN to cubic cBN was recently recorded at the surprisingly low pressure of 5.6 GPa at room temperature. In this paper, a very nontrivial and unexpected explanation of this phenomenon is found, based on our criterion for the PT in plastic materials and approximate solution of corresponding plastic problems. It is found that due to orientational plastic instability and rotational softening in rBN and the higher yield stress of cBN, stresses grow drastically in the transforming region during the PT (despite a volume decrease by a factor of …
Three-Dimensional Landau Theory For Multivariant Stress-Induced Martensitic Phase Transformations. Ii. Multivariant Phase Transformations And Stress Space Analysis, Valery I. Levitas, Dean L. Preston
Three-Dimensional Landau Theory For Multivariant Stress-Induced Martensitic Phase Transformations. Ii. Multivariant Phase Transformations And Stress Space Analysis, Valery I. Levitas, Dean L. Preston
Valery I. Levitas
In this paper, the three-dimensional Landau model of austenite-martensite transformations constructed in Part I is generalized to include transformations between an arbitrary number of martensitic variants. The model can incorporate all temperature-dependent thermomechanical properties of both phases for arbitrary crystal symmetries, including higher-order elastic constants, and it correctly describes the characteristic features of stress-strain curves for shape-memory alloys and steels, namely, constant transformation strain tensors, constant or weakly temperature dependent stress hysteresis, and transformation at nonzero tangent moduli. Geometric representations of the conditions for phase equilibrium and phase transformations in six-dimensional stress space are developed. For the cubic-tetragonal phase transformation, …
Three-Dimensional Landau Theory For Multivariant Stress-Induced Martensitic Phase Transformations. I. Austenite↔Martensite, Valery I. Levitas, Dean L. Preston
Three-Dimensional Landau Theory For Multivariant Stress-Induced Martensitic Phase Transformations. I. Austenite↔Martensite, Valery I. Levitas, Dean L. Preston
Valery I. Levitas
A three-dimensional Landau theory of stress-induced martensitic phase transformations is presented. It describes transformations between austenite and martensitic variants and transformations between martensitic variants. The Landau free energy incorporates all temperature-dependent thermomechanical properties of both phases. The theory accounts for the principal features of martensitic transformations in shape memory alloys and steels, namely, stress-strain curves with constant transformation strain and constant, or weakly temperature dependent, stress hysteresis, as well as nonzero tangent elastic moduli at the phase transformation point. In part I, the austenite↔martensite phase transformation is treated, while transformations between martensitic variants are considered in part II.