Review Article: Case studies in future trends of computational and experimental nanomechanics

Gerberich, William; Tadmor, Ellad B.; Kysar, Jeffrey; Zimmerman, Jonathan A.; Minor, Andrew M.; Szlufarska, Izabela; Amodeo, Jonathan; Devincre, Benoit; Hintsala, Eric; Ballarini, Roberto

doi:10.1116/1.5003378

Title: Review Article: Case studies in future trends of computational and experimental nanomechanics

Abstract

Abstract not provided.

Authors:

Gerberich, William ^[1]; Tadmor, Ellad B. ^[2]; Kysar, Jeffrey ^[3]; Zimmerman, Jonathan A. ^[4]; Minor, Andrew M. ^[5]; Szlufarska, Izabela ^[6]; Amodeo, Jonathan ^[7]; Devincre, Benoit ^[8]; Hintsala, Eric ^[9]; Ballarini, Roberto ^[10]

Univ. of Minnesota, Minneapolis, MN (United States). Dept. of Chemical Engineering and Materials Science
Univ. of Minnesota, Minneapolis, MN (United States). Dept. of Aerospace Engineering and Mechanics
Columbia Univ., New York, NY (United States). Dept. of Mechanical Engineering
Sandia National Lab. (SNL-CA), Livermore, CA (United States). Hydrogen and Materials Science Dept.
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Dept. of Materials Science and Engineering, and Molecular Foundry, National Center for Electron Microscopy
Univ. of Wisconsin, Madison, WI (United States). Dept. of Materials Science and Engineering
Laboratoire MATEIS, Villeurbanne (France)
Laboratoire d’Etude des Microstructures, Chatillon (France)
Hysitron, Inc., Eden Prairie, MN (United States)
Univ. of Houston, Houston, TX (United States). Dept. of Civil and Environmental Engineering

Publication Date:: Mon Sep 25 00:00:00 EDT 2017

Research Org.:: Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1477974

Alternate Identifier(s):: OSTI ID: 1394678; OSTI ID: 1670183

Report Number(s):: SAND-2018-10227J; SAND-2020-6436J
Journal ID: ISSN 0734-2101; 668002

Grant/Contract Number:: AC04-94AL85000; AC02-05H11231

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Vacuum Science and Technology A

Additional Journal Information:: Journal Volume: 35; Journal Issue: 6; Journal ID: ISSN 0734-2101

Publisher:: American Vacuum Society

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY

Citation Formats


                    Gerberich, William, Tadmor, Ellad B., Kysar, Jeffrey, Zimmerman, Jonathan A., Minor, Andrew M., Szlufarska, Izabela, Amodeo, Jonathan, Devincre, Benoit, Hintsala, Eric, and Ballarini, Roberto. Review Article: Case studies in future trends of computational and experimental nanomechanics.  United States: N. p., 2017. 
Web.  doi:10.1116/1.5003378.

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                    Gerberich, William, Tadmor, Ellad B., Kysar, Jeffrey, Zimmerman, Jonathan A., Minor, Andrew M., Szlufarska, Izabela, Amodeo, Jonathan, Devincre, Benoit, Hintsala, Eric, & Ballarini, Roberto. Review Article: Case studies in future trends of computational and experimental nanomechanics.  United States.  https://doi.org/10.1116/1.5003378

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                    Gerberich, William, Tadmor, Ellad B., Kysar, Jeffrey, Zimmerman, Jonathan A., Minor, Andrew M., Szlufarska, Izabela, Amodeo, Jonathan, Devincre, Benoit, Hintsala, Eric, and Ballarini, Roberto. Mon .  
"Review Article: Case studies in future trends of computational and experimental nanomechanics".  United States.  https://doi.org/10.1116/1.5003378.  https://www.osti.gov/servlets/purl/1477974.

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@article{osti_1477974,

  title        = {Review Article: Case studies in future trends of computational and experimental nanomechanics},

  author       = {Gerberich, William and Tadmor, Ellad B. and Kysar, Jeffrey and Zimmerman, Jonathan A. and Minor, Andrew M. and Szlufarska, Izabela and Amodeo, Jonathan and Devincre, Benoit and Hintsala, Eric and Ballarini, Roberto},

  abstractNote = {Abstract not provided.},

  doi          = {10.1116/1.5003378},

  journal      = {Journal of Vacuum Science and Technology A},

  number       = 6,

  volume       = 35,

  place        = {United States},

  year         = {Mon Sep 25 00:00:00 EDT 2017},

  month        = {Mon Sep 25 00:00:00 EDT 2017}

}

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Title: Review Article: Case studies in future trends of computational and experimental nanomechanics

Abstract

Citation Formats

Stacking fault energies and slip in nanocrystalline metals journal, May 2004

Modelling crystal plasticity by 3D dislocation dynamics and the finite element method: The Discrete-Continuous Model revisited journal, February 2014

An insight into the role of the grain boundary in plastic deformation by means of a bicrystalline pillar compression test and atomistic simulation journal, November 2013

Thermal properties of graphene: Fundamentals and applications journal, November 2012

Bright visible light emission from graphene journal, June 2015

Electric Field Effect in Atomically Thin Carbon Films journal, October 2004

Ultrahigh electron mobility in suspended graphene journal, June 2008

Boron nitride substrates for high-quality graphene electronics journal, August 2010

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene journal, July 2008

Experimental validation of multiscale modeling of indentation of suspended circular graphene membranes journal, November 2012

Atomically Thin MoS2 A New Direct-Gap Semiconductor journal, September 2010

Nonlinear elastic behavior of two-dimensional molybdenum disulfide journal, January 2013

Van der Waals heterostructures journal, July 2013

High-Strength Chemical-Vapor-Deposited Graphene and Grain Boundaries journal, May 2013

Direct comparison between experiments and computations at the atomic length scale: a case study of graphene journal, April 2008

Nonlinear elastic behavior of graphene: Ab initio calculations to continuum description journal, November 2009

A coupled quantum/continuum mechanics study of graphene fracture journal, January 2012

On the hyperelastic softening and elastic instabilities in graphene journal, January 2015

Comment on “Ideal strength and phonon instability in single-layerMoS2” journal, October 2014

Failure Mechanisms of Graphene under Tension journal, December 2010

Elastic and frictional properties of graphene: Elastic and frictional properties of graphene journal, October 2009

Strain Shielding from Mechanically Activated Covalent Bond Formation during Nanoindentation of Graphene Delays the Onset of Failure journal, February 2015

Modeling inelasticity and failure in gold nanowires journal, August 2005

Shape Memory and Pseudoelasticity in Metal Nanowires journal, December 2005

Molecular dynamics simulation based cohesive surface representation of mixed mode fracture journal, October 2008

Molecular dynamics simulation of delamination of a stiff, body-centered-cubic crystalline film from a compliant Si substrate journal, October 2009

Shear deformation kinematics of bicrystalline grain boundaries in atomistic simulations journal, December 2009

Investigating the deformation of nanocrystalline copper with microscale kinematic metrics and molecular dynamics journal, March 2012

Molecular dynamics study of deformation and fracture in a tantalum nano-crystalline thin film journal, May 2014

Molecular Dynamics Studies of Dislocations in CdTe Crystals from a New Bond Order Potential journal, August 2012

Hyperdynamics: Accelerated Molecular Dynamics of Infrequent Events journal, May 1997

A method for accelerating the molecular dynamics simulation of infrequent events journal, March 1997

Parallel replica method for dynamics of infrequent events journal, June 1998

The parallel replica dynamics method – Coming of age journal, April 2015

Temperature-accelerated dynamics for simulation of infrequent events journal, June 2000

Exploiting past visits or minimum-barrier knowledge to gain further boost in the temperature-accelerated dynamics method journal, January 2002

Extending the Time Scale in Atomistic Simulation of Materials journal, August 2002

Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics journal, June 2007

Defect kinetics in spinels: Long-time simulations of Mg Al 2 O 4 , Mg Ga 2 O 4 , and Mg In 2 O 4 journal, March 2007

Accelerated molecular dynamics with the bond-boost method journal, September 2003

Hyperdynamics made simple: Accelerated molecular dynamics with the Bond-Boost method journal, April 2015

Dynamical simulations of radiation damage and defect mobility in MgO journal, March 2005

Vacancy Formation and Strain in Low-TemperatureCu/Cu(100)Growth journal, September 2008

Temperature and Strain-Rate Dependence of Surface Dislocation Nucleation journal, January 2008

Ultra-strength materials journal, September 2010

Nudged-elastic band used to find reaction coordinates based on the free energy journal, February 2014

Atomistic predictions of dislocation nucleation with transition state theory journal, July 2011

A harmonic transition state theory model for defect initiation in crystals journal, February 2013

Mapping the stochastic response of nanostructures journal, April 2014

Modeling Elasticity in Crystal Growth journal, June 2002

Modeling elastic and plastic deformations in nonequilibrium processing using phase field crystals journal, November 2004

Phase field modeling of defects and deformation journal, February 2010

Plasticity and Dislocation Dynamics in a Phase Field Crystal Model journal, June 2010

Defect stability in phase-field crystal models: Stacking faults and partial dislocations journal, December 2012

Phase field crystal modeling as a unified atomistic approach to defect dynamics journal, June 2014

Assessment of phase-field-crystal concepts using long-time molecular dynamics journal, January 2015

Phase field crystal study on the phase boundary migration induced by the Kirkendall effect journal, August 2015

Diffusive molecular dynamics and its application to nanoindentation and sintering journal, August 2011

Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations journal, November 2014

Solute segregation kinetics and dislocation depinning in a binary alloy journal, June 2015

Plasticity of Micrometer-Scale Single Crystals in Compression journal, August 2009

In situ TEM nanomechanics journal, January 2015

Sample Dimensions Influence Strength and Crystal Plasticity journal, August 2004

Novel methods for micromechanical examination of hydrogen and grain boundary effects on dislocations journal, September 2012

Source Truncation and Exhaustion: Insights from Quantitative in situ TEM Tensile Testing journal, September 2011

Dislocations Faster than the Speed of Sound journal, February 1999

Cracks Faster than the Shear Wave Speed journal, May 1999

Twin Motion Faster Than the Speed of Sound journal, April 2010

Prospects for electron imaging with ultrafast time resolution journal, March 2007

Ultrafast electron microscopy in materials science, biology, and chemistry journal, June 2005

Advanced TEM characterization of stress corrosion cracking of Alloy 600 in pressurized water reactor primary water environment journal, September 2009

Contribution to understanding of stress corrosion cracking of Alloy 600 in PWR primary water journal, June 2008

In-situ transmission electron microscopy study of the nanoindentation behavior of Al journal, October 2002

Mechanical instabilities of homogeneous crystals journal, November 1995

Theoretical tensile stress in tungsten single crystals by full-potential first-principles calculations journal, August 1997

The internal stability of an elastic solid journal, December 2000

Ideal Pure Shear Strength of Aluminum and Copper journal, October 2002

Stacking fault energies and slip in nanocrystalline metals
journal, May 2004

Modelling crystal plasticity by 3D dislocation dynamics and the finite element method: The Discrete-Continuous Model revisited
journal, February 2014

An insight into the role of the grain boundary in plastic deformation by means of a bicrystalline pillar compression test and atomistic simulation
journal, November 2013

Thermal properties of graphene: Fundamentals and applications
journal, November 2012

Bright visible light emission from graphene
journal, June 2015

Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004

Ultrahigh electron mobility in suspended graphene
journal, June 2008

Boron nitride substrates for high-quality graphene electronics
journal, August 2010

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
journal, July 2008

Experimental validation of multiscale modeling of indentation of suspended circular graphene membranes
journal, November 2012

Atomically Thin ${MoS}_{2}$ A New Direct-Gap Semiconductor
journal, September 2010

Nonlinear elastic behavior of two-dimensional molybdenum disulfide
journal, January 2013

Van der Waals heterostructures
journal, July 2013

High-Strength Chemical-Vapor-Deposited Graphene and Grain Boundaries
journal, May 2013

Direct comparison between experiments and computations at the atomic length scale: a case study of graphene
journal, April 2008

Nonlinear elastic behavior of graphene: Ab initio calculations to continuum description
journal, November 2009

A coupled quantum/continuum mechanics study of graphene fracture
journal, January 2012

On the hyperelastic softening and elastic instabilities in graphene
journal, January 2015

Comment on “Ideal strength and phonon instability in single-layerMoS2”
journal, October 2014

Failure Mechanisms of Graphene under Tension
journal, December 2010

Elastic and frictional properties of graphene: Elastic and frictional properties of graphene
journal, October 2009

Strain Shielding from Mechanically Activated Covalent Bond Formation during Nanoindentation of Graphene Delays the Onset of Failure
journal, February 2015

Modeling inelasticity and failure in gold nanowires
journal, August 2005

Shape Memory and Pseudoelasticity in Metal Nanowires
journal, December 2005

Molecular dynamics simulation based cohesive surface representation of mixed mode fracture
journal, October 2008

Molecular dynamics simulation of delamination of a stiff, body-centered-cubic crystalline film from a compliant Si substrate
journal, October 2009

Shear deformation kinematics of bicrystalline grain boundaries in atomistic simulations
journal, December 2009

Investigating the deformation of nanocrystalline copper with microscale kinematic metrics and molecular dynamics
journal, March 2012

Molecular dynamics study of deformation and fracture in a tantalum nano-crystalline thin film
journal, May 2014

Molecular Dynamics Studies of Dislocations in CdTe Crystals from a New Bond Order Potential
journal, August 2012

Hyperdynamics: Accelerated Molecular Dynamics of Infrequent Events
journal, May 1997

A method for accelerating the molecular dynamics simulation of infrequent events
journal, March 1997

Parallel replica method for dynamics of infrequent events
journal, June 1998

The parallel replica dynamics method – Coming of age
journal, April 2015

Temperature-accelerated dynamics for simulation of infrequent events
journal, June 2000

Exploiting past visits or minimum-barrier knowledge to gain further boost in the temperature-accelerated dynamics method
journal, January 2002

Extending the Time Scale in Atomistic Simulation of Materials
journal, August 2002

Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics
journal, June 2007

Defect kinetics in spinels: Long-time simulations of $Mg {Al}_{2} O_{4}$ , $Mg {Ga}_{2} O_{4}$ , and $Mg {In}_{2} O_{4}$
journal, March 2007

Accelerated molecular dynamics with the bond-boost method
journal, September 2003

Hyperdynamics made simple: Accelerated molecular dynamics with the Bond-Boost method
journal, April 2015

Dynamical simulations of radiation damage and defect mobility in MgO
journal, March 2005

Vacancy Formation and Strain in Low-TemperatureCu/Cu(100)Growth
journal, September 2008

Temperature and Strain-Rate Dependence of Surface Dislocation Nucleation
journal, January 2008

Ultra-strength materials
journal, September 2010

Nudged-elastic band used to find reaction coordinates based on the free energy
journal, February 2014

Atomistic predictions of dislocation nucleation with transition state theory
journal, July 2011

A harmonic transition state theory model for defect initiation in crystals
journal, February 2013

Mapping the stochastic response of nanostructures
journal, April 2014

Modeling Elasticity in Crystal Growth
journal, June 2002

Modeling elastic and plastic deformations in nonequilibrium processing using phase field crystals
journal, November 2004

Phase field modeling of defects and deformation
journal, February 2010

Plasticity and Dislocation Dynamics in a Phase Field Crystal Model
journal, June 2010

Defect stability in phase-field crystal models: Stacking faults and partial dislocations
journal, December 2012

Phase field crystal modeling as a unified atomistic approach to defect dynamics
journal, June 2014

Assessment of phase-field-crystal concepts using long-time molecular dynamics
journal, January 2015

Phase field crystal study on the phase boundary migration induced by the Kirkendall effect
journal, August 2015

Diffusive molecular dynamics and its application to nanoindentation and sintering
journal, August 2011

Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations
journal, November 2014

Solute segregation kinetics and dislocation depinning in a binary alloy
journal, June 2015

Plasticity of Micrometer-Scale Single Crystals in Compression
journal, August 2009

In situ TEM nanomechanics
journal, January 2015

Sample Dimensions Influence Strength and Crystal Plasticity
journal, August 2004

Novel methods for micromechanical examination of hydrogen and grain boundary effects on dislocations
journal, September 2012

Source Truncation and Exhaustion: Insights from Quantitative in situ TEM Tensile Testing
journal, September 2011

Dislocations Faster than the Speed of Sound
journal, February 1999

Cracks Faster than the Shear Wave Speed
journal, May 1999

Twin Motion Faster Than the Speed of Sound
journal, April 2010

Prospects for electron imaging with ultrafast time resolution
journal, March 2007

Ultrafast electron microscopy in materials science, biology, and chemistry
journal, June 2005

Advanced TEM characterization of stress corrosion cracking of Alloy 600 in pressurized water reactor primary water environment
journal, September 2009

Contribution to understanding of stress corrosion cracking of Alloy 600 in PWR primary water
journal, June 2008

In-situ transmission electron microscopy study of the nanoindentation behavior of Al
journal, October 2002

Mechanical instabilities of homogeneous crystals
journal, November 1995

Theoretical tensile stress in tungsten single crystals by full-potential first-principles calculations
journal, August 1997

The internal stability of an elastic solid
journal, December 2000

Ideal Pure Shear Strength of Aluminum and Copper
journal, October 2002

Recent advances in single-asperity nanotribology
journal, May 2008

Contact Mechanics
book, January 1985

Adhesion of spheres: The JKR-DMT transition using a dugdale model
journal, April 1992