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 (original) (raw)
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Plastic shear significantly reduces the phase transformation ͑PT͒ pressure when compared to hydrostatic conditions. Here, a paradoxical result was obtained: PT of graphitelike hexagonal boron nitride ͑hBN͒ to superhard wurtzitic boron nitride under pressure and shear started at about the same pressure ͑ϳ10 GPa͒ as under hydrostatic conditions. In situ x-ray diffraction measurement and modeling of the turbostratic stacking fault concentration ͑degree of disorder͒ and PT in hBN were performed. Under hydrostatic pressure, 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 PT which compensates the promotion effect of plastic shear. The existence of transformation-induced plasticity ͑TRIP͒ was also proved during strain-induced PT. The degree of disorder is proposed to be used as a physical measure of plastic straining. This allows us to quantitatively separate the conventional plasticity and transformation-induced plasticity. Surprisingly, it is found that TRIP exceeds the conventional plasticity by a factor of 20. The cascade structural changes were revealed, defined as the reoccurrence of interacting processes including PTs, disordering, conventional plasticity, and TRIP. In comparison with hydrostatic loading, for the same degree of disorder, plastic shear indeed reduces the PT pressure ͑by a factor of 3-4͒ while causing a complete irreversible PT. The analytical results based on coupled strain-controlled kinetic equations for disorder and PT confirm our conclusions.
Europhysics Letters (epl), 2004
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 (∼ 10 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 same disorder, shear reduced the transformation pressure significantly, and caused a complete, irreversible transformation.
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 (∼ 10 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 same disorder, shear reduced the transformation pressure significantly, and caused a complete, irreversible transformation.
Applied Physics Letters, 2005
In situ x-ray diffraction study and modeling of the degree of disorder, s, and phase transformation ͑PT͒ 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 ͑TRIP͒ 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 ϳ10 GPa. For the same disorder, plastic shear reduces PT pressure by a factor of 3-4.
arXiv (Cornell University), 2023
Rough diamond anvils (rough-DA) are introduced to intensify all occurring processes during an in-situ study of heterogeneous compression of strongly pre-deformed Zr in diamond anvil cell (DAC). Crystallite size and dislocation density of Zr are getting pressure-, plastic strain tensor-and strain-path-independent during α-ω phase transformation (PT) and depend solely on the volume fraction of ω-Zr. Rough-DA produce a steady nanostructure in α-Zr with lower crystallite size and larger dislocation density than smooth-DA, leading to a two-time reduction in a minimum pressure for α-ω PT to a record value 0.67 GPa. The kinetics of strain-induced PT unexpectedly depends on time. Introduction. Processes that combine severe plastic strain and PTs under high pressure are widespread in manufacturing, synthesis of nanostructured materials, and geophysics-related problems [1-13]. Plastic strain drastically reduces the PT pressure by up to one-two order of magnitude [3, 5, 6], lead to new nanostructured phases, and substitute time-controlled kinetics with plastic strain-controlled kinetics [7-9]. Four-scale theory and simulations [7, 8] are developed to explain strain-induced PTs (which are completely different from traditional pressure or stress-induced PTs). However, they are still in their infancy, and new experimental and theoretical breakthroughs are required. In particular, the mutual effect between the nanostructure evolution and strain-induced PTs was not studied in situ at all. The main problem is that these processes depend on pressure, five components of the plastic strain tensor , and the entire strain path ℎ , producing numerous combinations of independent parameters with little hope of fully comprehending. For example, different combinations of compression and shear resulting in the same final lead to different stresses, nanostructures, and volume fractions of the high-pressure phase. Other problems include very heterogeneous stress-strain fields in all typical deformation-transformation processes and limited in-situ measurement capabilities. For example, in high-pressure torsion (used for grain refinement and producing
Nanoscale, 2014
There are two main challenges in the discovery of new high pressure phases (HPPs) and transforming this discovery into technologies: finding conditions to synthesize new HPPs and finding ways to reduce the phase transformation (PT) pressure to an economically reasonable level. Based on the results of pressure-shear experiments in the rotational diamond anvil cell (RDAC), superposition of plastic shear on high pressure is a promising way to resolve these problems. However, physical mechanisms behind these phenomena are not yet understood.
International Journal of Plasticity, 2017
In order to study high-pressure phase transformations (PTs), high static pressure is produced by compressing a thin sample within a high strength gasket in a diamond anvil cell (DAC). However, since a PT occurs during plastic flow, it is classified and treated here as a plastic strain-induced PT. A thermodynamically consistent system of equations for combined plastic flow and plastic strain-induced PTs is formulated for large elastic, plastic, and transformation strains. The Murnaghan elasticity law, pressure-dependent J 2 plasticity (both dependent of the concentration of a high-pressure phase), and plastic strain-induced and pressure-dependent PT kinetics are utilized. A computational algorithm within finite element method (FEM) is presented and implemented in a user material subroutine (UMAT) in the FEM code ABAQUS. Combined plastic flow and strain-induced PT from the highlydisordered hexagonal boron nitride (hBN) sample to a superhard wurtzitic wBN is simulated within the rhenium gasket for pressures up to 50 GPa. The evolution of the fields of stresses and plastic strains, as well as the concentration of phases in a sample is obtained and discussed in detail. Stress-strain fields in a gasket and diamond are presented as well. An unexpected shape of the deformed sample with almost complete PT in the external part of the sample that penetrated the gasket was found. Obtained results demonstrated the difference between material and system behavior which are often confused by experimentalists. Thus, while plastic strain-induced PT may start (and end) at plastic straining slightly above 6.7 GPa, it is not visible below 12 GPa. It becomes detectable at 21 GPa and is not completed everywhere in a sample even at a maximum pressure of 50 GPa. Due to a strong gasket the gradient of pressure is much smaller than the gradient of plastic strain, and therefore the distribution of the high pressure phase is mostly determined by the plastic strain field instead of the pressure field. Possible misinterpretation of the experimental data and characterization of the PT is discussed. The developed model will allow computational design of experiments for synthesis of high-pressure phases.
Crystal plasticity for dynamic loading at high pressures and strains
Arxiv preprint arXiv: …, 2008
A crystal plasticity theory was developed for use in simulations of dynamic loading at high pressures and strain rates. At pressures of the order of the bulk modulus, compressions o(100%) may be induced. At strain rates o(10 9)/s or higher, elastic strains may reach o(10%), which may change the orientation of the slip systems significantly with respect to the stress field. Elastic strain rather than stress was used in defining the local state, providing a more direct connection with electronic structure predictions and consistency with the treatment of compression in initial value problems in continuum dynamics. Plastic flow was treated through explicit slip systems, with flow on each system taken to occur by thermally-activated random jumps biased by the resolved stress. Compared with simple Arrhenius rates, the biased random jumps caused significant differences in plastic strain rate as a function of temperature and pressure, and provided a seamless transition to the ultimate theoretical strength of the material. The behavior of the theory was investigated for matter with approximate properties for Ta, demonstrating the importance of the high pressure, high strain rate contributions.
MATERIALS TRANSACTIONS
Severe plastic deformations (SPD) under high pressure, mostly by high-pressure torsion, are employed for producing nanostructured materials and stable or metastable high-pressure phases. However, they were studied postmortem after pressure release. Here, we review recent in situ experimental and theoretical studies of coupled SPD, strain-induced phase transformations (PTs), and microstructure evolution under high pressure obtained under compression in diamond anvil cell or compression and torsion in rotational diamond anvil cell. The utilization of x-ray diffraction with synchrotron radiation allows one to determine the radial distribution of volume fraction of phases, pressure, dislocation density, and crystallite size in each phase and find the main laws of their evolution and interaction. Coupling with the finite element simulations of the sample behavior allows the determination of fields of all components of the stress and plastic strain tensors and volume fraction of high-pressure phase and provides a better understanding of ways to control occurring processes. Atomistic, nanoscale and scale-free phase-field simulations allow elucidation of the main physical mechanisms of the plastic strain-induced drastic reduction in phase transformation pressure (by one to two orders of magnitude), the appearance of new phases, and strain-controlled PT kinetics in comparison with hydrostatic loading. Combining in situ experiments with multiscale theory potentially leads to the formulation of methods to control strain-induced PT and microstructure evolution and designing economic synthetic paths for the defect-induced synthesis of desired high-pressure phases, nanostructures, and nanocomposites.
Laws of high-pressure phase and nanostructure evolution and severe plastic flow
Study of the plastic flow, strain-induced phase transformations (PTs), and microstructure evolution under high pressure is important for producing new nanostructured phases1–10 and understanding physical1,2,7−10 and geophysical11–13 processes. However, these processes depend on an unlimited combination of five plastic strain components and an entire strain path with no hope of fully comprehending. Here, we introduce the rough diamond anvils (rough-DA) to reach maximum friction equal to the yield strength in shear, which allows determination of pressure-dependent yield strength. We apply rough-DA to compression of severely pre-deformed Zr. We found in situ that after severe straining, crystallite size and dislocation density of α and ω-Zr are getting pressure-, strain- and strain-path-independent, reach steady values before and after PT, and depend solely on the volume fraction of ω-Zr during PT. Immediately after completing PT, ω-Zr behaves like perfectly plastic, isotropic, and str...