Radial X‐Ray Diffraction Study of Superhard Early Transition Metal Dodecaborides under High Pressure

Lei, Jialin; Akopov, Georgiy; Yeung, Michael T.; Yan, Jinyuan; Kaner, Richard B.; Tolbert, Sarah H.

doi:10.1002/adfm.201900293

Title: Radial X‐Ray Diffraction Study of Superhard Early Transition Metal Dodecaborides under High Pressure

Abstract

Abstract The deformation behavior of the three metal dodecaborides (YB ₁₂ , ZrB ₁₂ , and Zr _0.5 Y _0.5 B ₁₂ ) is investigated using radial X‐ray diffraction under nonhydrostatic compression up to ≈60 GPa with a goal of understanding how bonding and metal composition control hardness. Zr _0.5 Y _0.5 B ₁₂ , which has the highest Vickers hardness ( Hv = 45.8 ± 1.3 GPa at 0.49 N load), also shows the highest bulk modulus ( K ₀ = 320 ± 5 GPa). The 0.49 N hardness for ZrB ₁₂ and YB ₁₂ are both lower and very similar, and both show lower bulk moduli ( K ₀ = 276 ± 7 GPa, and K ₀ = 238 ± 6 GPa, respectively). Differential stress is then measured to study the strength and strength anisotropy. Zr _0.5 Y _0.5 B ₁₂ supports the highest differential stress, in agreement with its high hardness, a fact that likely arises from atomic size mismatch between Zr and Y combined with the rigid network of boron cages. The (200) plane for all samples supports the largest differential strain, while the (111) plane supports the smallest, consistent with the theoretically predicted slip systemmore »« less

Authors:

Lei, Jialin ^[1]; Akopov, Georgiy ^[1]; Yeung, Michael T. ^[1]; Yan, Jinyuan ^[2]; Kaner, Richard B. ^[3];

^[3]

Department of Chemistry and Biochemistry University of California, Los Angeles (UCLA) Los Angeles CA 90095 USA
Advanced Light Source Lawrence Berkeley National Lab Berkeley CA 94720 USA
Department of Chemistry and Biochemistry University of California, Los Angeles (UCLA) Los Angeles CA 90095 USA, Department of Materials Science and Engineering University of California, Los Angeles (UCLA) Los Angeles CA 90095 USA, California Nano Systems Institute (CNSI) University of California, Los Angeles (UCLA) Los Angeles CA 90095 USA

Publication Date:: Wed Apr 03 00:00:00 EDT 2019

Sponsoring Org.:: USDOE

OSTI Identifier:: 1504786

Grant/Contract Number:: DE‐AC02‐05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Advanced Functional Materials

Additional Journal Information:: Journal Name: Advanced Functional Materials Journal Volume: 29 Journal Issue: 22; Journal ID: ISSN 1616-301X

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: Germany

Language:: English

Citation Formats


                    Lei, Jialin, Akopov, Georgiy, Yeung, Michael T., Yan, Jinyuan, Kaner, Richard B., and Tolbert, Sarah H. Radial X‐Ray Diffraction Study of Superhard Early Transition Metal Dodecaborides under High Pressure.  Germany: N. p., 2019. 
Web.  doi:10.1002/adfm.201900293.

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                    Lei, Jialin, Akopov, Georgiy, Yeung, Michael T., Yan, Jinyuan, Kaner, Richard B., & Tolbert, Sarah H. Radial X‐Ray Diffraction Study of Superhard Early Transition Metal Dodecaborides under High Pressure.  Germany.  https://doi.org/10.1002/adfm.201900293

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                    Lei, Jialin, Akopov, Georgiy, Yeung, Michael T., Yan, Jinyuan, Kaner, Richard B., and Tolbert, Sarah H. Wed .  
"Radial X‐Ray Diffraction Study of Superhard Early Transition Metal Dodecaborides under High Pressure".  Germany.  https://doi.org/10.1002/adfm.201900293.

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@article{osti_1504786,

  title        = {Radial X‐Ray Diffraction Study of Superhard Early Transition Metal Dodecaborides under High Pressure},

  author       = {Lei, Jialin and Akopov, Georgiy and Yeung, Michael T. and Yan, Jinyuan and Kaner, Richard B. and Tolbert, Sarah H.},

  abstractNote = {Abstract The deformation behavior of the three metal dodecaborides (YB 12 , ZrB 12 , and Zr 0.5 Y 0.5 B 12 ) is investigated using radial X‐ray diffraction under nonhydrostatic compression up to ≈60 GPa with a goal of understanding how bonding and metal composition control hardness. Zr 0.5 Y 0.5 B 12 , which has the highest Vickers hardness ( Hv = 45.8 ± 1.3 GPa at 0.49 N load), also shows the highest bulk modulus ( K 0 = 320 ± 5 GPa). The 0.49 N hardness for ZrB 12 and YB 12 are both lower and very similar, and both show lower bulk moduli ( K 0 = 276 ± 7 GPa, and K 0 = 238 ± 6 GPa, respectively). Differential stress is then measured to study the strength and strength anisotropy. Zr 0.5 Y 0.5 B 12 supports the highest differential stress, in agreement with its high hardness, a fact that likely arises from atomic size mismatch between Zr and Y combined with the rigid network of boron cages. The (200) plane for all samples supports the largest differential strain, while the (111) plane supports the smallest, consistent with the theoretically predicted slip system of {111} [  ]. Strain softening is also observed for ZrB 12 . Finally, the full elastic stiffness tensors for ZrB 12 and YB 12 are solved. ZrB 12 is the most isotropic, but the extent of elastic anisotropy for all dodecaborides studied is relatively low due to the highly symmetric boron cage network.},

  doi          = {10.1002/adfm.201900293},

  journal      = {Advanced Functional Materials},

  number       = 22,

  volume       = 29,

  place        = {Germany},

  year         = {Wed Apr 03 00:00:00 EDT 2019},

  month        = {Wed Apr 03 00:00:00 EDT 2019}

}

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Hall and transverse even effects in the vicinity of a quantum critical point in Tm{sub 1-x}Yb{sub x}B{sub 12}

Journal Article Sluchanko, N. E., E-mail: nes@lt.gpi.ru ; Azarevich, A N ; Bogach, A V ; ... - Journal of Experimental and Theoretical Physics

The angular, temperature, and magnetic field dependences of the resistance recorded in the Hall effect geometry are studied for the rare-earth dodecaboride Tm{sub 1-x}Yb{sub x}B{sub 12} solid solutions where the metal-insulator and antiferromagnetic-paramagnetic phase transitions are observed in the vicinity of the quantum critical point x{sub c} Almost-Equal-To 0.3. The measurements performed on high-quality single crystals in the temperature range 1.9-300 K for the first time have revealed the appearance of the second harmonic contribution, a transverse even effect in these fcc compounds near the quantum critical point. This contribution a is found to increase drastically both under the Tm-to-ytterbiummore »« less
https://doi.org/10.1134/S1063776112090130

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Title: Radial X‐Ray Diffraction Study of Superhard Early Transition Metal Dodecaborides under High Pressure

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Characterisation of thermally degraded polycrystalline diamond journal, January 2015

Synthesis of Ultra-Incompressible Superhard Rhenium Diboride at Ambient Pressure journal, April 2007

Superhard Monoborides: Hardness Enhancement through Alloying in W 1− x Ta x B journal, May 2016

Detecting grain rotation at the nanoscale journal, February 2014

Reversal in the Size Dependence of Grain Rotation journal, March 2017

MATERIALS SCIENCE: Designing Superhard Materials journal, May 2005

Lattice stress states of superhard tungsten tetraboride from radial x-ray diffraction under nonhydrostatic compression journal, September 2014

Berechnung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle . journal, January 1929

Analysis of nonhydrostatic high-pressure diffraction data (cubic system): Assessment of various assumptions in the theory journal, August 2009

Binary dodecaborides journal, March 1961

The elastic constants of anisotropic materials—II journal, July 1956

Wear of synthetic diamond when grinding ferrous metals journal, May 1975

Compressibility and strength of nanocrystalline tungsten boride under compression to 60 GPa journal, June 2012

Structure of superhard tungsten tetraboride: A missing link between MB 2 and MB 12 higher borides journal, March 2015

Pressurizing conditions in helium-pressure-transmitting medium journal, December 2007

Softening of nanocrystalline metals at very small grain sizes journal, February 1998

Rediscovering the Crystal Chemistry of Borides journal, March 2017

Effects of Variable Boron Concentration on the Properties of Superhard Tungsten Tetraboride journal, November 2017

Lattice strain of osmium diboride under high pressure and nonhydrostatic stress journal, July 2012

Stabilization of HfB 12 in Y 1– x Hf x B 12 under Ambient Pressure journal, April 2016

X-ray diffraction study of the static strength of tungsten to 69 GPa journal, April 2006

X-ray Imaging of Stress and Strain of Diamond, Iron, and Tungsten at Megabar Pressures journal, May 1997

Thermodynamic Ground States of Multifunctional Metal Dodecaborides journal, January 2019

Effects of Dodecaboride-Forming Metals on the Properties of Superhard Tungsten Tetraboride journal, April 2018

Phase stability, elastic, anisotropic properties, lattice dynamical and thermodynamic properties of B12M (M=Th, U, Np, Pu) dodecaborides journal, January 2018

Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K journal, January 1978

Lattice strains in gold and rhenium under nonhydrostatic compression to 37 GPa journal, December 1999

Toward Inexpensive Superhard Materials: Tungsten Tetraboride-Based Solid Solutions journal, December 2012

A Maximum in the Strength of Nanocrystalline Copper journal, September 2003

Deformation of polycrystalline MgO at pressures of the lower mantle: DEFORMATION OF MgO AT HIGH PRESSURE journal, November 2002

Elasticity and rheology of platinum under high pressure and nonhydrostatic stress journal, October 2003

Analysis of lattice strains measured under nonhydrostatic pressure journal, June 1998

Elastic stress fields caused by indenting brittle materials journal, October 1982

The structure of metallic dodecarborides journal, December 1965

Tungsten tetraboride, an inexpensive superhard material journal, June 2011

Ultraincompressible, Superhard Materials journal, July 2016

Elasticity and rheology of iron above 220 GPa and the nature of the Earth's inner core journal, December 1998

Silicone fluid as a high‐pressure medium in diamond anvil cells journal, February 1996

Structure, Elastic Stiffness, and Hardness of Os 1– x Ru x B 2 Solid Solution Transition-Metal Diborides journal, May 2012

Estimation of Single-Crystal Elastic Moduli from Polycrystalline X-Ray Diffraction at High Pressure: Application to FeO and Iron journal, March 1998

X-ray transparent gasket for diamond anvil cell high pressure experiments journal, April 2005

The most incompressible metal osmium at static pressures above 750 gigapascals journal, August 2015

Electronic structure, bulk and magnetic properties of MB6 and MB12 borides journal, September 2007

Strength and Elasticity of S i O 2 across the Stishovite– C a C l 2 -type Structural Phase Boundary journal, December 2002

Advancements in the Search for Superhard Ultra-Incompressible Metal Borides journal, November 2009

Atomic Radii in Crystals journal, November 1964

Superhard Mixed Transition Metal Dodecaborides journal, September 2016

Characteristics of silicone fluid as a pressure transmitting medium in diamond anvil cells journal, November 2004

Superhard Rhenium/Tungsten Diboride Solid Solutions journal, October 2016

Static compression of Ca(OH) 2 at room temperature: Observations of amorphization and equation of state measurements to 10.7 GPa journal, July 1990

Strength and equation of state of boron suboxide from radial x-ray diffraction in a diamond cell under nonhydrostatic compression journal, November 2004

Electronic structure and bulk properties of MB6 and MB12 borides journal, November 2008

Understanding the mechanism of hardness enhancement in tantalum-substituted tungsten monoboride solid solutions journal, February 2019

Exploring the high-pressure behavior of superhard tungsten tetraboride journal, February 2012

The elastic and mechanical properties of MB12 (M=Zr, Hf, Y, Lu) as a function of pressure journal, January 2013

X-ray diffraction evaluation of stress in high pressure deformation experiments journal, June 2006

Extrinsic Hardening of Superhard Tungsten Tetraboride Alloys with Group 4 Transition Metals journal, April 2016

Ultrastrong Boron Frameworks in ZrB 12 : A Highway for Electron Conducting journal, November 2016

Understanding How Bonding Controls Strength Anisotropy in Hard Materials by Comparing the High-Pressure Behavior of Orthorhombic and Tetragonal Tungsten Monoboride journal, February 2018

Stress anisotropy in opposed anvil high−pressure cells journal, March 1975

Application of radial x-ray diffraction to determine the hydrostatic equation of state and strength of TiB2 up to 60GPa journal, January 2006

Predicting Useful Materials journal, July 1993

Stabilization of LnB 12 (Ln = Gd, Sm, Nd, and Pr) in Zr 1– x Ln x B 12 under Ambient Pressure journal, November 2016

Exploring hardness enhancement in superhard tungsten tetraboride-based solid solutions using radial X-ray diffraction journal, July 2015

The lattice strains in a specimen (cubic system) compressed nonhydrostatically in an opposed anvil device journal, May 1993

Two-dimensional detector software: From real detector to idealised image or two-theta scan journal, January 1996

Texture of Nanocrystalline Nickel: Probing the Lower Size Limit of Dislocation Activity journal, December 2012

Characterisation of thermally degraded polycrystalline diamond
journal, January 2015

Synthesis of Ultra-Incompressible Superhard Rhenium Diboride at Ambient Pressure
journal, April 2007

Superhard Monoborides: Hardness Enhancement through Alloying in W ₁₋ _x Ta _x B
journal, May 2016

Detecting grain rotation at the nanoscale
journal, February 2014

Reversal in the Size Dependence of Grain Rotation
journal, March 2017

MATERIALS SCIENCE: Designing Superhard Materials
journal, May 2005

Lattice stress states of superhard tungsten tetraboride from radial x-ray diffraction under nonhydrostatic compression
journal, September 2014

Berechnung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle .
journal, January 1929

Analysis of nonhydrostatic high-pressure diffraction data (cubic system): Assessment of various assumptions in the theory
journal, August 2009

Binary dodecaborides
journal, March 1961

The elastic constants of anisotropic materials—II
journal, July 1956

Wear of synthetic diamond when grinding ferrous metals
journal, May 1975

Compressibility and strength of nanocrystalline tungsten boride under compression to 60 GPa
journal, June 2012

Structure of superhard tungsten tetraboride: A missing link between MB ₂ and MB ₁₂ higher borides
journal, March 2015

Pressurizing conditions in helium-pressure-transmitting medium
journal, December 2007

Softening of nanocrystalline metals at very small grain sizes
journal, February 1998

Rediscovering the Crystal Chemistry of Borides
journal, March 2017

Effects of Variable Boron Concentration on the Properties of Superhard Tungsten Tetraboride
journal, November 2017

Lattice strain of osmium diboride under high pressure and nonhydrostatic stress
journal, July 2012

Stabilization of HfB ₁₂ in Y _{1– x} Hf _x B ₁₂ under Ambient Pressure
journal, April 2016

X-ray diffraction study of the static strength of tungsten to $69 GPa$
journal, April 2006

X-ray Imaging of Stress and Strain of Diamond, Iron, and Tungsten at Megabar Pressures
journal, May 1997

Thermodynamic Ground States of Multifunctional Metal Dodecaborides
journal, January 2019

Effects of Dodecaboride-Forming Metals on the Properties of Superhard Tungsten Tetraboride
journal, April 2018

Phase stability, elastic, anisotropic properties, lattice dynamical and thermodynamic properties of B12M (M=Th, U, Np, Pu) dodecaborides
journal, January 2018

Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K
journal, January 1978

Lattice strains in gold and rhenium under nonhydrostatic compression to 37 GPa
journal, December 1999

Toward Inexpensive Superhard Materials: Tungsten Tetraboride-Based Solid Solutions
journal, December 2012

A Maximum in the Strength of Nanocrystalline Copper
journal, September 2003

Deformation of polycrystalline MgO at pressures of the lower mantle: DEFORMATION OF MgO AT HIGH PRESSURE
journal, November 2002

Elasticity and rheology of platinum under high pressure and nonhydrostatic stress
journal, October 2003

Analysis of lattice strains measured under nonhydrostatic pressure
journal, June 1998

Elastic stress fields caused by indenting brittle materials
journal, October 1982

The structure of metallic dodecarborides
journal, December 1965

Tungsten tetraboride, an inexpensive superhard material
journal, June 2011

Ultraincompressible, Superhard Materials
journal, July 2016

Elasticity and rheology of iron above 220 GPa and the nature of the Earth's inner core
journal, December 1998

Silicone fluid as a high‐pressure medium in diamond anvil cells
journal, February 1996

Structure, Elastic Stiffness, and Hardness of Os _{1– x} Ru _x B ₂ Solid Solution Transition-Metal Diborides
journal, May 2012

Estimation of Single-Crystal Elastic Moduli from Polycrystalline X-Ray Diffraction at High Pressure: Application to FeO and Iron
journal, March 1998

X-ray transparent gasket for diamond anvil cell high pressure experiments
journal, April 2005

The most incompressible metal osmium at static pressures above 750 gigapascals
journal, August 2015

Electronic structure, bulk and magnetic properties of MB6 and MB12 borides
journal, September 2007

Strength and Elasticity of ${S i O}_{2}$ across the Stishovite– ${C a C l}_{2}$ -type Structural Phase Boundary
journal, December 2002

Advancements in the Search for Superhard Ultra-Incompressible Metal Borides
journal, November 2009

Atomic Radii in Crystals
journal, November 1964

Superhard Mixed Transition Metal Dodecaborides
journal, September 2016

Characteristics of silicone fluid as a pressure transmitting medium in diamond anvil cells
journal, November 2004

Superhard Rhenium/Tungsten Diboride Solid Solutions
journal, October 2016

Static compression of Ca(OH) ₂ at room temperature: Observations of amorphization and equation of state measurements to 10.7 GPa
journal, July 1990

Strength and equation of state of boron suboxide from radial x-ray diffraction in a diamond cell under nonhydrostatic compression
journal, November 2004

Electronic structure and bulk properties of MB6 and MB12 borides
journal, November 2008

Understanding the mechanism of hardness enhancement in tantalum-substituted tungsten monoboride solid solutions
journal, February 2019

Exploring the high-pressure behavior of superhard tungsten tetraboride
journal, February 2012

The elastic and mechanical properties of MB12 (M=Zr, Hf, Y, Lu) as a function of pressure
journal, January 2013

X-ray diffraction evaluation of stress in high pressure deformation experiments
journal, June 2006

Extrinsic Hardening of Superhard Tungsten Tetraboride Alloys with Group 4 Transition Metals
journal, April 2016

Ultrastrong Boron Frameworks in ZrB ₁₂ : A Highway for Electron Conducting
journal, November 2016

Understanding How Bonding Controls Strength Anisotropy in Hard Materials by Comparing the High-Pressure Behavior of Orthorhombic and Tetragonal Tungsten Monoboride
journal, February 2018

Stress anisotropy in opposed anvil high−pressure cells
journal, March 1975

Application of radial x-ray diffraction to determine the hydrostatic equation of state and strength of TiB2 up to 60GPa
journal, January 2006

Predicting Useful Materials
journal, July 1993

Stabilization of LnB ₁₂ (Ln = Gd, Sm, Nd, and Pr) in Zr _{1– x} Ln _x B ₁₂ under Ambient Pressure
journal, November 2016

Exploring hardness enhancement in superhard tungsten tetraboride-based solid solutions using radial X-ray diffraction
journal, July 2015

The lattice strains in a specimen (cubic system) compressed nonhydrostatically in an opposed anvil device
journal, May 1993

Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

Texture of Nanocrystalline Nickel: Probing the Lower Size Limit of Dislocation Activity
journal, December 2012