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Integrating in situ TEM experiments and atomistic simulations for defect mechanics

Journal Article · · Current Opinion in Solid State and Materials Science
 [1];  [2];  [2];  [3]
  1. Georgia Institute of Technology, Atlanta, GA (United States); DOE/OSTI
  2. Georgia Institute of Technology, Atlanta, GA (United States)
  3. Univ. of Florida, Gainesville, FL (United States)
With recent advances in computational modeling and in situ transmission electron microscopy (TEM) technologies, there have been increased efforts to apply these approaches to understand defect-based mechanisms dictating deformation mechanics. In situ TEM experiments and atomistic simulations each have their own unique limitations, including observable length and time scales and accessibility of information, motivating approaches that combine the two approaches. In this paper, we review recent studies that combine atomistic simulations and in situ TEM experiments to understand defect mechanisms associated with deformation of metals and alloys. In addition, we discuss ongoing developments in characterization and simulation capabilities that are expected to significantly advance the field of defect mechanics and allow greater integration between atomistic simulations and in situ TEM experiments.
Research Organization:
Georgia Inst. of Technology, Atlanta, GA (United States)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0018960
OSTI ID:
1613036
Alternate ID(s):
OSTI ID: 1532778
Journal Information:
Current Opinion in Solid State and Materials Science, Journal Name: Current Opinion in Solid State and Materials Science Journal Issue: 3 Vol. 23; ISSN 1359-0286
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (130)

The Effect of Dislocation Contrast on X-Ray Line Profiles in Untextured Polycrystals journal February 1999
In Situ TEM Electromechanical Testing of Nanowires and Nanotubes journal August 2012
Dislocations and their effect on X-ray diffraction journal September 1959
Bridging atomistic simulations and experiments via virtual diffraction: understanding homophase grain boundary and heterophase interface structures journal May 2015
Room Temperature Deformation Mechanisms of Alumina Particles Observed from In Situ Micro-compression and Atomistic Simulations journal September 2015
A Computational Algorithm to Produce Virtual X-ray and Electron Diffraction Patterns from Atomistic Simulations journal January 2014
In-situ Indentation and Correlated Precession Electron Diffraction Analysis of a Polycrystalline Cu Thin Film journal April 2018
Surface dislocation nucleation mediated deformation and ultrahigh strength in sub-10-nm gold nanowires journal October 2011
X-ray line broadening from filed aluminium and wolfram journal January 1953
The atomic structure of a large angle [001] twist boundary in gold determined by a joint computer modelling and X-ray diffraction study journal May 1980
The projected atomic structure of a large angle [001]Σ = 5 (θ = 36.9°) twist boundary in gold: Diffraction analysis and theoretical predictions journal May 1983
Structural multiplicity of ∑ = 5(001) twist boundaries and interpretation of X-ray diffraction from these boundaries journal October 1986
Effect of secondary relaxations on diffraction from high-Σ [001] twist boundaries journal August 1984
Double conical beam-rocking system for measurement of integrated electron diffraction intensities journal March 1994
Characterization of thermally activated dislocation mechanisms using transient tests journal January 2002
Nucleation of dislocations from [001] bicrystal interfaces in aluminum journal August 2005
Dynamic observations and atomistic simulations of dislocation–defect interactions in rapidly quenched copper and gold journal April 2006
Tensile strength of 〈100〉 and 〈110〉 tilt bicrystal copper interfaces journal January 2007
Williamson–Hall anisotropy in nanocrystalline metals: X-ray diffraction experiments and atomistic simulations journal January 2008
Atomistic origin of microstrain broadening in diffraction data of nanocrystalline solids journal March 2009
Detwinning mechanisms for growth twins in face-centered cubic metals journal April 2010
In situ TEM study of microplasticity and Bauschinger effect in nanocrystalline metals journal August 2010
Dislocation starvation and exhaustion hardening in Mo alloy nanofibers journal March 2012
Deformation twinning mechanisms from bimetal interfaces as revealed by in situ straining in the TEM journal September 2012
Silicon Σ13(501) grain boundary interface structure determined by bicrystal Bragg rod X-ray scattering journal September 2013
Atomistic simulation and virtual diffraction characterization of stable and metastable alumina surfaces journal October 2014
Atomistic simulation and virtual diffraction characterization of homophase and heterophase alumina interfaces journal January 2015
Overview on micro- and nanomechanical testing: New insights in interface plasticity and fracture at small length scales journal January 2018
Multiscale analysis of nanoindentation-induced defect structures in gum metal journal June 2018
Atomistic modeling of dislocation cross-slip in nickel using free-end nudged elastic band method journal April 2019
Insights on slip transmission at grain boundaries from atomistic simulations journal August 2014
In situ mechanical TEM: Seeing and measuring under stress with electrons journal February 2014
MEMS based nanomechanical testing method with independent electronic sensing of stress and strain journal September 2016
Design of piezoMEMS for high strain rate nanomechanical experiments journal April 2018
Dislocation nucleation from bicrystal interfaces with dissociated structure journal January 2007
Strain localization at dislocation channel–grain boundary intersections in irradiated stainless steel journal May 2014
Mechanics of nanocrack: Fracture, dislocation emission, and amorphization journal May 2009
Applications of direct detection device in transmission electron microscopy journal March 2008
Grain rotations in ultrafine-grained aluminum films studied using in situ TEM straining with automated crystal orientation mapping journal January 2017
Simulation of kinematic Kikuchi diffraction patterns from atomistic structures journal January 2018
An atomic-scale modeling and experimental study of 〈 c + a 〉 dislocations in Mg journal May 2017
Direct observation of a coincident dislocation- and grain boundary-mediated deformation in nanocrystalline iron journal January 2018
Cluster imaging with a direct detection CMOS pixel sensor in Transmission Electron Microscopy
  • Battaglia, Marco; Contarato, Devis; Denes, Peter
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 608, Issue 2 https://doi.org/10.1016/j.nima.2009.07.017
journal September 2009
Ultra-strength materials journal September 2010
Validating grain size analysis from X-ray line broadening: A virtual experiment journal July 2008
Quantitative grain growth and rotation probed by in-situ TEM straining and orientation mapping in small grained Al thin films journal April 2015
Effect of a high angle grain boundary on deformation behavior of Al nanopillars journal October 2015
Observing the dynamic 10 1 ¯ 1 twining process in pure Ti at atomic resolution journal October 2017
Deformation twinning in response to cracking in Al: An in situ TEM and molecular dynamics study journal March 2018
In situ nanobeam electron diffraction strain mapping of planar slip in stainless steel journal March 2018
Practical considerations for high spatial and temporal resolution dynamic transmission electron microscopy journal April 2007
Many-beam dynamical simulation of electron backscatter diffraction patterns journal April 2007
Direct electron imaging in electron microscopy with monolithic active pixel sensors journal August 2007
Dynamical effects of anisotropic inelastic scattering in electron backscatter diffraction journal November 2008
Characterization of a direct detection device imaging camera for transmission electron microscopy journal June 2010
Combination of in situ straining and ACOM TEM: A novel method for analysis of plastic deformation of nanocrystalline metals journal May 2013
In situ atomic scale mechanical microscopy discovering the atomistic mechanisms of plasticity in nano-single crystals and grain rotation in polycrystalline metals journal April 2015
Diffraction contrast imaging using virtual apertures journal August 2015
Double-tilt in situ TEM holder with multiple electrical contacts and its application in MEMS-based mechanical testing of nanomaterials journal September 2015
Optimizing disk registration algorithms for nanobeam electron diffraction strain mapping journal May 2017
Error analysis of the crystal orientations obtained by the dictionary approach to EBSD indexing journal October 2017
Dynamical Electron Backscatter Diffraction Patterns. Part I: Pattern Simulations journal June 2013
In situ Nanobeam Electron Diffraction of Bulk Metallic Glasses journal August 2018
Direct Observation of SRO effect of Ti-6Al Alloy Using Energy-filtered TEM and Scanning Nanobeam Electron Diffraction journal August 2018
Deformation and Damage Mechanisms of Novel Austenitic ODS Steel Under In Situ ACOM-TEM Straining journal August 2018
Strain Hardening and Size Effect in Five-fold Twinned Ag Nanowires journal May 2015
High Cycle Fatigue in the Transmission Electron Microscope journal July 2016
Pushing the Envelope of In Situ Transmission Electron Microscopy journal May 2015
Mechanically Driven Grain Boundary Formation in Nickel Nanowires journal November 2017
Mechanics and Dynamics of the Strain-Induced M1–M2 Structural Phase Transition in Individual VO 2 Nanowires journal August 2011
Source Truncation and Exhaustion: Insights from Quantitative in situ TEM Tensile Testing journal September 2011
The Nanostructured Origin of Deformation Twinning journal January 2012
Intrinsic Bauschinger Effect and Recoverable Plasticity in Pentatwinned Silver Nanowires Tested in Tension journal October 2014
Experimental-Computational Investigation of ZnO nanowires Strength and Fracture journal September 2009
In situ TEM study of deformation-induced crystalline-to-amorphous transition in silicon journal July 2016
Hydrogenated vacancies lock dislocations in aluminium journal November 2016
Atomic-scale dynamic process of deformation-induced stacking fault tetrahedra in gold nanocrystals journal August 2013
Reversible cyclic deformation mechanism of gold nanowires by twinning–detwinning transition evidenced from in situ TEM journal January 2014
Mechanical annealing and source-limited deformation in submicrometre-diameter Ni crystals journal December 2007
In situ atomic-scale observation of twinning-dominated deformation in nanoscale body-centred cubic tungsten journal March 2015
Measuring surface dislocation nucleation in defect-scarce nanostructures journal May 2015
Highly mobile ferroelastic domain walls in compositionally graded ferroelectric thin films journal February 2016
Slip-activated surface creep with room-temperature super-elongation in metallic nanocrystals journal November 2016
Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements journal August 2008
In situ observation of shear-driven amorphization in silicon crystals journal September 2016
Sliding of coherent twin boundaries journal October 2017
New twinning route in face-centered cubic nanocrystalline metals journal December 2017
Dislocation driven nanosample plasticity: new insights from quantitative in-situ TEM tensile testing journal August 2018
Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations journal November 2015
Electron Beam Induced Artifacts During in situ TEM Deformation of Nanostructured Metals journal November 2015
Quantitative in situ TEM tensile fatigue testing on nanocrystalline metallic ultrathin films journal January 2013
Quantifying and observing viscoplasticity at the nanoscale: highly localized deformation mechanisms in ultrathin nanocrystalline gold films journal January 2016
Virtual dark-field images reconstructed from electron diffraction patterns journal April 2014
The effect of dislocation contrast on x‐ray line broadening: A new approach to line profile analysis journal November 1996
Strain rate dependent mechanical properties in single crystal nickel nanowires journal February 2013
The effect of solute segregation on strain localization in nanocrystalline thin films: Dislocation glide vs. grain-boundary mediated plasticity journal June 2013
Plasticity mechanisms in ultrafine grained freestanding aluminum thin films revealed by in-situ transmission electron microscopy nanomechanical testing journal March 2014
Strain mapping at nanometer resolution using advanced nano-beam electron diffraction journal June 2015
Orientation dependent fracture behavior of nanotwinned copper journal June 2015
Local and transient nanoscale strain mapping during in situ deformation journal August 2016
Non-spectroscopic composition measurements of SrTiO 3 -La 0.7 Sr 0.3 MnO 3 multilayers using scanning convergent beam electron diffraction journal February 2017
Local nanoscale strain mapping of a metallic glass during in situ testing journal April 2018
Deformation mechanisms in free-standing nanoscale thin films: A quantitative in situ transmission electron microscope study journal April 2004
An electromechanical material testing system for in situ electron microscopy and applications journal September 2005
Interfacial plasticity governs strain rate sensitivity and ductility in nanostructured metals journal February 2007
Reducing deformation anisotropy to achieve ultrahigh strength and ductility in Mg at the nanoscale journal July 2013
X-ray diffraction study of the structure of small-and large-angle [001] tilt boundaries in gold journal March 1979
In situ TEM study of mechanical behaviour of twinned nanoparticles journal July 2012
On Variance as a Measure of Line Broadening in Diffractometry General Theory and Small Particle Size journal July 1962
A review of microelectromechanical systems for nanoscale mechanical characterization journal August 2015
Virtual diffraction analysis of Ni [0 1 0] symmetric tilt grain boundaries journal June 2013
Nanoscale dislocation shear loops at static equilibrium and finite temperature journal November 2017
Quantifying transient states in materials with the dynamic transmission electron microscope journal June 2010
Microscopic fracture studies in the two-dimensional triangular lattice journal August 1976
Structures of [001] twist boundaries in gold. II. Results obtained by x-ray diffraction and computer simulation journal August 1989
Calculation of x-ray spectra for nanocrystalline materials journal January 2005
Temperature and Strain-Rate Dependence of Surface Dislocation Nucleation journal January 2008
The study of the structure of grain boundaries using diffraction techniques journal April 1980
Precession electron diffraction – a topical review journal January 2015
A MEMS Tensile Testing Technique for Measuring True Activation Volume and Effective Stress in Nanocrystalline Ultrathin Microbeams journal October 2017
Imaging Atomic Rearrangements in Two-Dimensional Silica Glass: Watching Silica's Dance journal October 2013
Origin of dramatic oxygen solute strengthening effect in titanium journal February 2015
Opportunities and challenges in liquid cell electron microscopy journal December 2015
Extending the Time Scale in Atomistic Simulation of Materials journal August 2002
In situ TEM nanomechanics journal January 2015
Observing and measuring strain in nanostructures and devices with transmission electron microscopy journal February 2014
Visualizing the Behavior of Dislocations—Seeing is Believing journal February 2008
Mechanics of Ultra-Strength Materials journal March 2009
Quantitative In Situ Mechanical Testing in Electron Microscopes journal May 2010
MEMS for In Situ Testing—Handling, Actuation, Loading, and Displacement Measurements journal May 2010

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