Title: FEM modeling of plastic flow and strain-induced phase transformation in BN under high pressure and large shear in a rotational diamond anvil cell

Journal Article · · International Journal of Plasticity
ORCiD logo [1];  [2];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Iowa State Univ., Ames, IA (United States); Ames Lab., Ames, IA (United States)

In this study, combined three-dimensional plastic flow and strain-induced phase transformation (PT) in boron nitride (BN) under high pressure and large shear in a rotational diamond anvil cell (rotational DAC or RDAC) are investigated. Geometrically nonlinear frameworks including finite elastic, transformational, and plastic deformations and finite element method (FEM) are utilized. Quantitative information is obtained on the evolutions of the stress tensor, plastic strain, volume fraction of phases in the entire sample, and slip-cohesion transitions, all during torsion under a fixed compressive load in RDAC. The effects of the applied compressive stress and the sample radius on PT and plastic flow are discussed. In comparison with DAC, the same amount of the high-pressure phase can be obtained at a much lower pressure in RDAC, which reduces the required force and the risk of diamond fracture. Also, RDAC has a potential to complete PT during torsion under pressure close to the minimum possible. A quasi-homogeneous pressure can be obtained in a transforming sample in RDAC under a proper choice of properties and parameters of a gasket. A number of experimental phenomena, including the pressure self-multiplication and quasi-homogeneous pressures in DAC and RDAC, are reproduced and interpreted. Finally, the simulation results provide a significant insight into coupled PTs and plastic flow in material in RDAC, and are important for the optimum design of experiments and the extraction of material parameters for PT, as well as for the optimization and control of PTs by the variation of various parameters.

Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC52-06NA25396
OSTI ID:
1482003
Report Number(s):
LA-UR-18-24304
Journal Information:
International Journal of Plasticity, Journal Name: International Journal of Plasticity Vol. 113; ISSN 0749-6419
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (56)

Large elastoplastic strains and the stressed state of a deformable gasket in high pressure equipment with diamond anvils journal March 1996
Wurtzitic boron nitride—a review journal January 1985
Kinetics of the δ to γ zirconium hydride transformation in Zr-2.5Nb journal April 2003
High-pressure torsion of titanium at cryogenic and room temperatures: Grain size effect on allotropic phase transformations journal April 2014
Shock-induced spall in single and nanocrystalline SiC journal November 2017
Strain-induced phase transformations under high pressure and large shear in a rotational diamond anvil cell: Simulation of loading, unloading, and reloading journal March 2014
Ab initio study of boron nitride at high pressures journal September 2009
A model for plasticity kinetics and its role in simulating the dynamic behavior of Fe at high strain rates journal April 2009
Shock loading on AlN ceramics: A large scale molecular dynamics study journal December 2013
An atomic study on the shock-induced plasticity and phase transition for iron-based single crystals journal August 2014
Coupling between plasticity and phase transition of polycrystalline iron under shock compressions journal August 2015
Large elastoplasticity under static megabar pressures: Formulation and application to compression of samples in diamond anvil cells journal September 2016
Large elastoplastic deformation of a sample under compression and torsion in a rotational diamond anvil cell under megabar pressures journal May 2017
Phase transition of iron-based single crystals under ramp compressions with extreme strain rates journal September 2017
Coupled elastoplasticity and plastic strain-induced phase transformation under high pressure and large strains: Formulation and application to BN sample compressed in a diamond anvil cell journal September 2017
A formulism of two-phase equilibrium and phase diagram for elastic-plastic deformed system under non-hydrostatic stress conditions: Formulations and verification journal May 2018
Interaction between phase transformations and dislocations at the nanoscale. Part 1. General phase field approach journal September 2015
Interaction between phase transformations and dislocations at the nanoscale. Part 2: Phase field simulation examples journal September 2015
Coupled elasticity, plastic slip, and twinning in single crystal titanium loaded by split-Hopkinson pressure bar journal October 2018
Allotropic phase transformation of pure zirconium by high-pressure torsion journal October 2009
Influence of the high pressure torsion die geometry on the allotropic phase transformations in pure Zr journal June 2010
Effect of Nb additions on the microstructure, thermal stability and mechanical behavior of high pressure Zr phases under ambient conditions journal April 2011
A review on high-pressure torsion (HPT) from 1935 to 1988 journal January 2016
Plastic flows and strain-induced alpha to omega phase transformation in zirconium during compression in a diamond anvil cell: Finite element simulations journal January 2017
Coupled strain-induced alpha to omega phase transformation and plastic flow in zirconium under high pressure torsion in a rotational diamond anvil cell journal July 2018
Bulk submicrocrystalline ω-Ti produced by high-pressure torsion straining journal September 2008
Orientation dependency of the alpha to omega plus beta transformation in commercially pure zirconium by high-pressure torsion journal August 2011
Plastic strain and grain size effect on high-pressure phase transformations in nanostructured TiO2 ceramics journal November 2016
Static strength and equation of state of rhenium at ultra-high pressures journal February 1991
The most incompressible metal osmium at static pressures above 750 gigapascals journal August 2015
Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6 Mbar journal January 2012
Pressure Self-focusing Effect and Novel Methods for Increasing the Maximum Pressure in Traditional and Rotational Diamond Anvil Cells journal April 2017
Phase transformations in nanograin materials under high pressure and plastic shear: nanoscale mechanisms journal January 2014
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 journal July 2006
Strain-induced phase transformations under compression, unloading, and reloading in a diamond anvil cell journal May 2013
Elastic constants of cubic and wurtzite boron nitrides journal June 2013
Strain-induced phase transformation under compression in a diamond anvil cell: Simulations of a sample and gasket journal April 2014
Effects of gasket on coupled plastic flow and strain-induced phase transformations under high pressure and large torsion in a rotational diamond anvil cell journal January 2016
High-pressure rotational deformation apparatus to 135 GPa journal April 2017
A single-crystal model for the high-strain rate deformation of cyclotrimethylene trinitramine including phase transformations and plastic slip journal May 2017
Shear-induced phase transition of nanocrystalline hexagonal boron nitride to wurtzitic structure at room temperature and lower pressure journal November 2012
Diamond anvil cell, 50th birthday journal May 2009
Effects of High Shearing Stress Combined with High Hydrostatic Pressure journal November 1935
Optical phonons and elasticity of diamond at megabar stresses journal October 1986
High-pressure x-ray diffraction studies on rhenium up to 216 GPa (2.16 Mbar) journal December 1987
Elastic constants and related properties of tetrahedrally bonded BN, AlN, GaN, and InN journal June 1996
High-pressure mechanochemistry: Conceptual multiscale theory and interpretation of experiments journal November 2004
Modeling and simulation of strain-induced phase transformations under compression in a diamond anvil cell journal November 2010
Modeling and simulation of strain-induced phase transformations under compression and torsion in a rotational diamond anvil cell journal November 2010
High-density amorphous phase of silicon carbide obtained under large plastic shear and high pressure journal February 2012
Ultrasonic equation of state of rhenium journal February 1974
Phase field simulations of plastic strain-induced phase transformations under high pressure and large shear journal December 2016
Experimental Determination of Third-Order Elastic Constants of Diamond journal March 2011
X-ray Imaging of Stress and Strain of Diamond, Iron, and Tungsten at Megabar Pressures journal May 1997
Observation of the Wigner-Huntington transition to metallic hydrogen journal January 2017
X-ray studies of nanostructured metals processed by severe plastic deformation journal November 2007

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