Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

Ulvestad, A.; Welland, M. J.; Collins, S.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

doi:10.1038/ncomms10092

Title: Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

Abstract

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.

Authors:

Ulvestad, A. ^[1]; Welland, M. J. ^[2]; Collins, S. ^[3]; Harder, R. ^[2]; Maxey, E. ^[2]; Wingert, J. ^[4]; Singer, A. ^[4]; Hy, S. ^[4]; Mulvaney, P. ^[3]; Zapol, P. ^[2]; Shpyrko, O. G. ^[4]

Univ. of California, San Diego, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Univ. of Melbourne (Australia)
Univ. of California, San Diego, CA (United States)

Publication Date:: Fri Dec 11 00:00:00 EST 2015

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1339269

Alternate Identifier(s):: OSTI ID: 1253608; OSTI ID: 1352829

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Nature Communications

Additional Journal Information:: Journal Volume: 6; Journal ID: ISSN 2041-1723

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; nanoparticles; phase transistions and critical phenomena; physical chemistry; 77 NANOSCIENCE AND NANOTECHNOLOGY; 36 MATERIALS SCIENCE; phase transitions and critical phenomena

Citation Formats


                    Ulvestad, A., Welland, M. J., Collins, S., Harder, R., Maxey, E., Wingert, J., Singer, A., Hy, S., Mulvaney, P., Zapol, P., and Shpyrko, O. G. Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles.  United States: N. p., 2015. 
Web.  doi:10.1038/ncomms10092.

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                    Ulvestad, A., Welland, M. J., Collins, S., Harder, R., Maxey, E., Wingert, J., Singer, A., Hy, S., Mulvaney, P., Zapol, P., & Shpyrko, O. G. Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles.  United States.  https://doi.org/10.1038/ncomms10092

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                    Ulvestad, A., Welland, M. J., Collins, S., Harder, R., Maxey, E., Wingert, J., Singer, A., Hy, S., Mulvaney, P., Zapol, P., and Shpyrko, O. G. Fri .  
"Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles".  United States.  https://doi.org/10.1038/ncomms10092.  https://www.osti.gov/servlets/purl/1339269.

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@article{osti_1339269,

  title        = {Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles},

  author       = {Ulvestad, A. and Welland, M. J. and Collins, S. and Harder, R. and Maxey, E. and Wingert, J. and Singer, A. and Hy, S. and Mulvaney, P. and Zapol, P. and Shpyrko, O. G.},

  abstractNote = {Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.},

  doi          = {10.1038/ncomms10092},

  journal      = {Nature Communications},

  number       = ,

  volume       = 6,

  place        = {United States},

  year         = {Fri Dec 11 00:00:00 EST 2015},

  month        = {Fri Dec 11 00:00:00 EST 2015}

}

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journal, May 2017

Yau, Allison; Cha, Wonsuk; Kanan, Matthew W.
Science, Vol. 356, Issue 6339
DOI: 10.1126/science.aam6168

Bragg Coherent Diffractive Imaging of Zinc Oxide Acoustic Phonons at Picosecond Timescales
journal, August 2017

Ulvestad, A.; Cherukara, M. J.; Harder, R.
Scientific Reports, Vol. 7, Issue 1
DOI: 10.1038/s41598-017-09999-0

In situ structural evolution of single particle model catalysts under ambient pressure reaction conditions
journal, January 2019

Fernández, Sara; Gao, Lu; Hofmann, Jan Philipp
Nanoscale, Vol. 11, Issue 1
DOI: 10.1039/c8nr08414a

Active site localization of methane oxidation on Pt nanocrystals
journal, August 2018

Kim, Dongjin; Chung, Myungwoo; Carnis, Jerome
Nature Communications, Vol. 9, Issue 1
DOI: 10.1038/s41467-018-05464-2

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Title: Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

Abstract

Citation Formats

Review of absorption and adsorption in the hydrogen–palladium system journal, August 2006

Exploration of crystal strains using coherent x-ray diffraction journal, March 2010

Topological defect dynamics in operando battery nanoparticles journal, June 2015

A simple model for coherent equilibrium journal, November 1984

Three-Dimensional Imaging of Microstructure in Au Nanocrystals journal, April 2003

Shape-Controlled Synthesis of Single-Crystalline Palladium Nanocrystals journal, March 2010

Thermodynamics of open two-phase systems with coherent interfaces: Application to metal–hydrogen systems journal, January 2006

A model for diffusion on cubic lattices and its application to the early stages of ordering journal, June 1969

Theory of Coherent Nucleation in Phase-Separating Nanoparticles journal, May 2013

An in situ study of the hydriding kinetics of Pd thin films journal, January 2011

Coherent diffraction imaging of nanoscale strain evolution in a single crystal under high pressure journal, April 2013

HYDROGEN IN METALS: Microstructural Aspects journal, August 2006

Direct Measurement of Microstructural Avalanches during the Martensitic Transition of Cobalt Using Coherent X-Ray Scattering journal, June 2011

Imaging of complex density in silver nanocubes by coherent x-ray diffraction journal, March 2010

Three-dimensional mapping of a deformation field inside a nanocrystal journal, July 2006

Differential stress induced by thiol adsorption on facetted nanocrystals journal, September 2011

Single Particle Nanomechanics in Operando Batteries via Lensless Strain Mapping journal, August 2014

Recent developments and likely advances in lithium-ion batteries journal, November 2006

Free Energy of a Nonuniform System. I. Interfacial Free Energy journal, February 1958

Grain boundary segregation, stress and stretch: Effects on hydrogen absorption in nanocrystalline palladium journal, February 2007

Uncovering the intrinsic size dependence of hydriding phase transformations in nanocrystals journal, August 2013

Surface properties of platinum and palladium journal, May 1980

Hydrogen as a probe for the average thickness of a grain boundary journal, August 1987

The Effect of Lattice Strain on the Catalytic Properties of Pd Nanocrystals journal, September 2013

Theory of Chemical Kinetics and Charge Transfer based on Nonequilibrium Thermodynamics journal, June 2012

Thermodynamics of the hybrid interaction of hydrogen with palladium nanoparticles journal, November 2015

High-resolution three-dimensional partially coherent diffraction imaging journal, January 2012

In situ detection of hydrogen-induced phase transitions in individual palladium nanocrystals journal, September 2014

Anisotropic Strain Enhanced Hydrogen Solubility in bcc Metals: The Independence on the Sign of Strain journal, September 2012

A compiler for variational forms journal, September 2006

Thermodynamics of Open Two-Phase Systems with Coherent Interfaces journal, March 1995

Adsorption of hydrogen on palladium single crystal surfaces journal, February 1974

Magnetic Susceptibility and Equilibrium Diagram of PdH n journal, January 1973

HYDROGEN IN METALS: Microstructural Aspects journal, August 2006

Confocal Microscope Alignment of Nanocrystals for Coherent Diffraction Imaging conference, January 2010

A compiler for variational forms text, January 2011

DOLFIN: Automated finite element computing journal, April 2010

Three-dimensional imaging of dislocation propagation during crystal growth and dissolution journal, June 2015

Phase field modeling of hydrogen transport and reaction in metal hydrides journal, June 2013

Adsorption of hydrogen on Pd(100) journal, September 1980

A ReaxFF Investigation of Hydride Formation in Palladium Nanoclusters via Monte Carlo and Molecular Dynamics Simulations journal, February 2014

Nanoparticle Structure by Coherent X-ray Diffraction journal, February 2013

Hydrogen Storage in Pd Nanodisks Characterized with a Novel Nanoplasmonic Sensing Scheme journal, October 2007

Coherency Strain and the Kinetics of Phase Separation in LiFePO 4 Nanoparticles journal, February 2012

Shape-Controlled Synthesis of Single-Crystalline Palladium Nanocrystals journal, March 2010

DOLFIN: Automated Finite Element Computing text, January 2011

Single Particle Nanomechanics in Operando Batteries via Lensless Strain Mapping journal, August 2014

Elastic constants of palladium and β -phase palladium hydride between 4 and 300 K journal, August 1979

Curvature-induced and thermal strain in polyhedral gold nanocrystals journal, October 2014

Automated Solution of Differential Equations by the Finite Element Method book, January 2012

Three-dimensional mapping of a deformation field inside a nanocrystal journal, July 2006

Vegard’s law journal, March 1991

Phase retrieval algorithms: a comparison journal, January 1982

The Palladium-Hydrogen System journal, August 1991

An in situ study of the hydriding kinetics of Pd thin films journal, January 2011

Narrowing of the palladium-hydrogen miscibility gap in nanocrystalline palladium journal, July 1993

Solubility of hydrogen in single-sized palladium clusters journal, July 2001

Grain boundary segregation, stress and stretch: Effects on hydrogen absorption in nanocrystalline palladium journal, February 2007

Three-dimensional imaging of dislocation propagation during crystal growth and dissolution journal, June 2015

Uncovering the intrinsic size dependence of hydriding phase transformations in nanocrystals journal, August 2013

Phase field modeling of hydrogen transport and reaction in metal hydrides journal, June 2013

The H-Pd (hydrogen-palladium) System journal, February 1994

Kinetics of hydrogen desorption from palladium and ruthenium-palladium foils journal, March 1995

Application of optimization technique to noncrystalline x-ray diffraction microscopy: Guided hybrid input-output method journal, August 2007

Ultrafast Three-Dimensional Imaging of Lattice Dynamics in Individual Gold Nanocrystals journal, May 2013

Confocal Microscope Alignment of Nanocrystals for Coherent Diffraction Imaging conference, January 2010

Coherent diffraction imaging of nanoscale strain evolution in a single crystal under high pressure journal, April 2013

The Effect of Lattice Strain on the Catalytic Properties of Pd Nanocrystals journal, September 2013

Hydrogen as a probe for the average thickness of a grain boundary journal, August 1987

Theory of Chemical Kinetics and Charge Transfer based on Nonequilibrium Thermodynamics journal, June 2012

Phase-retrieval stagnation problems and solutions journal, January 1986

Thermodynamics of the hybrid interaction of hydrogen with palladium nanoparticles journal, November 2015

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Nanoscale strain mapping in battery nanostructures journal, February 2014

In situ detection of hydrogen-induced phase transitions in individual palladium nanocrystals journal, September 2014

Active site localization of methane oxidation on Pt nanocrystals text, January 2018

Review of absorption and adsorption in the hydrogen–palladium system
journal, August 2006

Exploration of crystal strains using coherent x-ray diffraction
journal, March 2010

Topological defect dynamics in operando battery nanoparticles
journal, June 2015

A simple model for coherent equilibrium
journal, November 1984

Three-Dimensional Imaging of Microstructure in Au Nanocrystals
journal, April 2003

Shape-Controlled Synthesis of Single-Crystalline Palladium Nanocrystals
journal, March 2010

Thermodynamics of open two-phase systems with coherent interfaces: Application to metal–hydrogen systems
journal, January 2006

A model for diffusion on cubic lattices and its application to the early stages of ordering
journal, June 1969

Theory of Coherent Nucleation in Phase-Separating Nanoparticles
journal, May 2013

An in situ study of the hydriding kinetics of Pd thin films
journal, January 2011

Coherent diffraction imaging of nanoscale strain evolution in a single crystal under high pressure
journal, April 2013

HYDROGEN IN METALS: Microstructural Aspects
journal, August 2006

Direct Measurement of Microstructural Avalanches during the Martensitic Transition of Cobalt Using Coherent X-Ray Scattering
journal, June 2011

Imaging of complex density in silver nanocubes by coherent x-ray diffraction
journal, March 2010

Three-dimensional mapping of a deformation field inside a nanocrystal
journal, July 2006

Differential stress induced by thiol adsorption on facetted nanocrystals
journal, September 2011

Single Particle Nanomechanics in Operando Batteries via Lensless Strain Mapping
journal, August 2014

Recent developments and likely advances in lithium-ion batteries
journal, November 2006

Free Energy of a Nonuniform System. I. Interfacial Free Energy
journal, February 1958

Grain boundary segregation, stress and stretch: Effects on hydrogen absorption in nanocrystalline palladium
journal, February 2007

Uncovering the intrinsic size dependence of hydriding phase transformations in nanocrystals
journal, August 2013

Surface properties of platinum and palladium
journal, May 1980

Hydrogen as a probe for the average thickness of a grain boundary
journal, August 1987

The Effect of Lattice Strain on the Catalytic Properties of Pd Nanocrystals
journal, September 2013

Theory of Chemical Kinetics and Charge Transfer based on Nonequilibrium Thermodynamics
journal, June 2012

Thermodynamics of the hybrid interaction of hydrogen with palladium nanoparticles
journal, November 2015

High-resolution three-dimensional partially coherent diffraction imaging
journal, January 2012

In situ detection of hydrogen-induced phase transitions in individual palladium nanocrystals
journal, September 2014

Anisotropic Strain Enhanced Hydrogen Solubility in bcc Metals: The Independence on the Sign of Strain
journal, September 2012

A compiler for variational forms
journal, September 2006

Thermodynamics of Open Two-Phase Systems with Coherent Interfaces
journal, March 1995

Adsorption of hydrogen on palladium single crystal surfaces
journal, February 1974

Magnetic Susceptibility and Equilibrium Diagram of PdH _n
journal, January 1973

HYDROGEN IN METALS: Microstructural Aspects
journal, August 2006

Confocal Microscope Alignment of Nanocrystals for Coherent Diffraction Imaging
conference, January 2010

A compiler for variational forms
text, January 2011

DOLFIN: Automated finite element computing
journal, April 2010

Three-dimensional imaging of dislocation propagation during crystal growth and dissolution
journal, June 2015

Phase field modeling of hydrogen transport and reaction in metal hydrides
journal, June 2013

Adsorption of hydrogen on Pd(100)
journal, September 1980

A ReaxFF Investigation of Hydride Formation in Palladium Nanoclusters via Monte Carlo and Molecular Dynamics Simulations
journal, February 2014

Nanoparticle Structure by Coherent X-ray Diffraction
journal, February 2013

Hydrogen Storage in Pd Nanodisks Characterized with a Novel Nanoplasmonic Sensing Scheme
journal, October 2007

Coherency Strain and the Kinetics of Phase Separation in LiFePO ₄ Nanoparticles
journal, February 2012

Shape-Controlled Synthesis of Single-Crystalline Palladium Nanocrystals
journal, March 2010

DOLFIN: Automated Finite Element Computing
text, January 2011

Single Particle Nanomechanics in Operando Batteries via Lensless Strain Mapping
journal, August 2014

Elastic constants of palladium and $β$ -phase palladium hydride between 4 and 300 K
journal, August 1979

Curvature-induced and thermal strain in polyhedral gold nanocrystals
journal, October 2014

Automated Solution of Differential Equations by the Finite Element Method
book, January 2012

Three-dimensional mapping of a deformation field inside a nanocrystal
journal, July 2006

Vegard’s law
journal, March 1991

Phase retrieval algorithms: a comparison
journal, January 1982

The Palladium-Hydrogen System
journal, August 1991

An in situ study of the hydriding kinetics of Pd thin films
journal, January 2011

Narrowing of the palladium-hydrogen miscibility gap in nanocrystalline palladium
journal, July 1993

Solubility of hydrogen in single-sized palladium clusters
journal, July 2001

Grain boundary segregation, stress and stretch: Effects on hydrogen absorption in nanocrystalline palladium
journal, February 2007

Three-dimensional imaging of dislocation propagation during crystal growth and dissolution
journal, June 2015

Uncovering the intrinsic size dependence of hydriding phase transformations in nanocrystals
journal, August 2013

Phase field modeling of hydrogen transport and reaction in metal hydrides
journal, June 2013

The H-Pd (hydrogen-palladium) System
journal, February 1994

Kinetics of hydrogen desorption from palladium and ruthenium-palladium foils
journal, March 1995

Application of optimization technique to noncrystalline x-ray diffraction microscopy: Guided hybrid input-output method
journal, August 2007

Ultrafast Three-Dimensional Imaging of Lattice Dynamics in Individual Gold Nanocrystals
journal, May 2013

Confocal Microscope Alignment of Nanocrystals for Coherent Diffraction Imaging
conference, January 2010

Coherent diffraction imaging of nanoscale strain evolution in a single crystal under high pressure
journal, April 2013

The Effect of Lattice Strain on the Catalytic Properties of Pd Nanocrystals
journal, September 2013

Hydrogen as a probe for the average thickness of a grain boundary
journal, August 1987

Theory of Chemical Kinetics and Charge Transfer based on Nonequilibrium Thermodynamics
journal, June 2012

Phase-retrieval stagnation problems and solutions
journal, January 1986

Thermodynamics of the hybrid interaction of hydrogen with palladium nanoparticles
journal, November 2015

Miscibility Gap Closure, Interface Morphology, and Phase Microstructure of 3D Li _x FePO ₄ Nanoparticles from Surface Wetting and Coherency Strain
journal, September 2015

Current-induced transition from particle-by-particle to concurrent intercalation in phase-separating battery electrodes
journal, September 2014

Nanoscale strain mapping in battery nanostructures
journal, February 2014

In situ detection of hydrogen-induced phase transitions in individual palladium nanocrystals
journal, September 2014

Active site localization of methane oxidation on Pt nanocrystals
text, January 2018

Grain boundary mediated hydriding phase transformations in individual polycrystalline metal nanoparticles
journal, October 2017

Identifying Defects with Guided Algorithms in Bragg Coherent Diffractive Imaging
journal, August 2017

An Analytical Bond Order Potential for Mg−H Systems
journal, January 2019