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  1. Abstract

    Various phenomena (phase transformations (PTs), chemical reactions, microstructure evolution, strength, and friction) under high pressures in diamond-anvil cell are strongly affected by fields of stress and plastic strain tensors. However, they could not be measured. Here, we suggest coupled experimental-analytical-computational approaches utilizing synchrotron X-ray diffraction, to solve an inverse problem and find fields of all components of stress and plastic strain tensors and friction rules before, during, and after α-ω PT in strongly plastically predeformed Zr. Results are in good correspondence with each other and experiments. Due to advanced characterization, the minimum pressure for the strain-induced α-ω PT is changed from 1.36 to 2.7 GPa. It is independent of the plastic strain before PT and compression-shear path. The theoretically predicted plastic strain-controlled kinetic equation is verified and quantified. Obtained results open opportunities for developing quantitative high-pressure/stress science, including mechanochemistry, synthesis of new nanostructured materials, geophysics, astrogeology, and tribology.

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  2. Abstract

    Deep-focus earthquakes that occur at 350–660 km are assumed to be caused by olivine → spinel phase transformation (PT). However, there are many existing puzzles: (a) What are the mechanisms for jump from geological 10−17 − 10−15 s−1to seismic 10 − 103 s−1strain rates? Is it possible without PT? (b) How does metastable olivine, which does not completely transform to spinel for over a million years, suddenly transform during seconds? (c) How to connect shear-dominated seismic signals with volume-change-dominated PT strain? Here, we introduce a combination of several novel concepts that resolve the above puzzles quantitatively. We treat the transformation in olivine like plastic strain-induced (instead of pressure/stress-induced) and find an analytical 3D solution for coupled deformation-transformation-heating in a shear band. This solution predicts conditions for severe (singular) transformation-induced plasticity (TRIP) and self-blown-up deformation-transformation-heating process due to positive thermomechanochemical feedback between TRIP and strain-induced transformation. This process leads to temperature in a band, above which the self-blown-up shear-heating process in the shear band occurs after finishing the PT. Our findings change the main concepts in studying the initiation of the deep-focus earthquakes and PTs during plastic flow in geophysics in general.

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  3. Abstract

    Crystallographic theory based on energy minimization suggests austenite-twinned martensite interfaces with specific orientation, which are confirmed experimentally for various materials. Pressure-induced phase transformation (PT) from semiconducting Si-I to metallic Si-II, due to very large and anisotropic transformation strain, may challenge this theory. Here, unexpected nanostructure evolution during Si-I → Si-II PT is revealed by combining molecular dynamics (MD), crystallographic theory, generalized for strained crystals, and in situ real-time Laue X-ray diffraction (XRD). Twinned Si-II, consisting of two martensitic variants, and unexpected nanobands, consisting of alternating strongly deformed and rotated residual Si-I and third variant of Si-II, form$$\{111\}$${111}interface with Si-I and produce almost self-accommodated nanostructure despite the large transformation volumetric strain of$$-0.237$$0.237. The interfacial bands arrest the$$\{111\}$${111}interfaces, leading to repeating nucleation-growth-arrest process and to growth by propagating$$\{110\}$${110}interface, which (as well as$$\{111\}$${111}interface) do not appear in traditional crystallographic theory.

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  4. Abstract

    Materials under complex loading develop large strains and often phase transformation via an elastic instability, as observed in both simple and complex systems. Here, we represent a material (exemplified for Si I) under large Lagrangian strains within a continuum description by a 5th-order elastic energy found by minimizing error relative to density functional theory (DFT) results. The Cauchy stress—Lagrangian strain curves for arbitrary complex loadings are in excellent correspondence with DFT results, including the elastic instability driving the Si I → II phase transformation (PT) and the shear instabilities. PT conditions for Si I → II under action of cubic axial stresses are linear in Cauchy stresses in agreement with DFT predictions. Such continuum elastic energy permits study of elastic instabilities and orientational dependence leading to different PTs, slip, twinning, or fracture, providing a fundamental basis for continuum physics simulations of crystal behavior under extreme loading.

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  5. Ultrafine-grained and heterostructured materials are currently of high interest due to their superior mechanical and functional properties. Severe plastic deformation (SPD) is one of the most effective methods to produce such materials with unique microstructure-property relationships. In this review paper, after summarizing the recent progress in developing various SPD methods for processing bulk, surface and powder of materials, the main structural and microstructural features of SPD-processed materials are explained including lattice defects, grain boundaries and phase transformations. The properties and potential applications of SPD-processed materials are then reviewed in detail including tensile properties, creep, superplasticity, hydrogen embrittlement resistance, electrical conductivity, magnetic properties, optical properties, solar energy harvesting, photocatalysis, electrocatalysis, hydrolysis, hydrogen storage, hydrogen production, CO2 conversion, corrosion resistance and biocompatibility. It is shown that achieving such properties is not currently limited to pure metals and conventional metallic alloys, and a wide range of materials are processed by SPD, including high-entropy alloys, glasses, semiconductors, ceramics and polymers. It is particularly emphasized that SPD has moved from a simple metal processing tool to a powerful means for the discovery and synthesis of new superfunctional metallic and nonmetallic materials. The article ends by declaring that the borders of SPD have been extended from materials science and it has become an interdisciplinary tool to address scientific questions such as the mechanism of geological and astronomical phenomena and the origin of life. Keywords: Severe plastic deformation (SPD); Nanostructured materials; Ultrafine grained (UFG) materials; Gradient-structured materials, High-pressure torsion (HPT) 
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    Free, publicly-accessible full text available May 1, 2025
  6. Pressure-induced phase transformations (PTs) in Si, the most important electronic material, have been broadly studied. However, strain-induced PTs in Si were never studied in situ. Here, we revealed in situ various important plastic strain-induced PT phenomena. A correlation between the particle size's direct and inverse Hall-Petch effect on yield strength and pressure for strain-induced PT is found. For 100 nm particles, strain-induced PT Si-I³Si-II initiates at 0.3 GPa versus 16.2 GPa under hydrostatic conditions; Si-I³Si-III PT starts at 0.6 GPa and does not occur under hydrostatic pressure. Pressure in small Si-II and Si-III regions is ~5-7 GPa higher than in Si-I. Retaining Si-II and single-phase Si-III at ambient pressure and obtaining reverse Si-II³Si-I PT demonstrates the possibilities of manipulating different synthetic paths. The obtained results corroborate the elaborated dislocation pileup-based mechanism and have numerous applications for developing economic defect-induced synthesis of nanostructured materials, surface treatment (polishing, turning, etc.), and friction. 
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    Free, publicly-accessible full text available March 6, 2025
  7. High-pressure synchrotron X-ray diffraction (XRD) studies have been conducted on three types of Si particles (micron, 100 nm, and 30 nm). The pressure for initiation of Si-I→Si-II phase transformation (PT) essentially increases with a reduction in particle size. For 30 nm Si particles, Si-I directly transforms to Si-XI by skipping the intermediate Si-II phase, which appears during the pressure release. The evolution of phase fractions of Si particles under hydrostatic compression is studied. The equation of state (EOS) of Si-I, Si-II, Si-V, and Si-XI for all three particle sizes is determined, and the results are compared with other studies. A simple iterative procedure is suggested to extract the EOS of Si-XI and Si-II from the data for a mixture of two and three phases with different pressures in each phase. Using previous atomistic simulations, EOS for Si-II is extended to ambient pressure, which is important for plastic strain-induced phase transformations. Surprisingly, the EOS of micron and 30 nm Si are identical, but different from 100 nm particles. In particular, the Si-I phase of 100 nm Si is less compressible than that of micron and 30 nm Si. The reverse Si-V→Si-I PT is observed for the first time after complete pressure release to the ambient for 100 nm particles. 
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    Free, publicly-accessible full text available February 23, 2025
  8. Free, publicly-accessible full text available October 1, 2024
  9. Severe plastic deformations under high pressure are used to produce nanostructured materials but were studied ex-situ. Rough diamond anvils are introduced to reach maximum friction equal to yield strength in shear and the first in-situ study of the evolution of the pressure-dependent yield strength and radial distribution of nano structural parameters are performed for severely pre-deformed Zr.ω-Zr behaves like perfectly plastic, isotropic, and strain-path-independent and reaches steady values of the crystallite size and dislocation density, which are pressure-, strain- and strain-path-independent. However, steady states forα-Zr obtained with smooth and rough anvils are different, causing major challenge in plasticity theory. 
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    Free, publicly-accessible full text available September 2, 2024
  10. Severe plastic deformations under high pressure are used to produce nanostructured materials but were studied ex-situ. We introduce rough diamond anvils to reach maximum friction equal to yield strength in shear and perform the first in-situ study of the evolution of the pressure-dependent yield strength and nanostructural parameters for severely pre-deformed Zr. ω-Zr behaves like perfectly plastic, isotropic, and strain-path-independent. This is related to reaching steady values of the crystallite size and dislocation density, which are pressure-, strain- and strain-path-independent. However, steady states for α-Zr obtained with smooth and rough anvils are different, which causes major challenge in plasticity theory. 
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