(Mechanics in Materials Science)
Symposium Organizers:
Charles Wojnar, Missouri University of Science and Technology
wojnarc@mst.edu
Brandon Runnels, University of Colorado Colorado Springs
(Mechanics in Materials Science)
Symposium Organizers:
Charles Wojnar, Missouri University of Science and Technology
wojnarc@mst.edu
Brandon Runnels, University of Colorado Colorado Springs
brunnels@uccs.edu
Irene Beyerlein, Los Alamos National Laboratory
irene@lanl.gov
Symposium Technical Description
Boundaries in materials can be separated into various categories: grain boundaries, twinning boundaries, phase transformations, ferroelectric domain walls, and magnetic domain boundaries. The character of these boundaries in materials determines their overall physical properties, e.g. stiffness, strength, plasticity, dielectric constant, piezoelectric constant, coercive field, and magnetic susceptibility. Moreover, the mobility of such boundaries influences their evolution over time, which results in changes in the aforementioned properties. Understanding the influence of boundaries in materials is important in many technological applications including structural materials, electronic materials, and magnetic devices. Therefore accurately predicting boundary character and evolution in materials is important for their exploitation in technological applications. This symposium invites abstract submission on topics related to improving our understanding of the influence of boundaries in materials on overall properties within the following categories (including theoretical, computational, and experimental approaches):
1. Modeling grain boundary anisotropy of energy and mobility in metals and ceramics
2. Computational modeling of grain boundaries in microstructure (using, e.g., atomistic, dislocation dynamics, or phase field methods)
3. Experimental characterization of grain boundary evolution during high temperature processes such as sintering
4. Improving our understanding of the effect of boundaries on material properties
5. Interactions of boundaries with defects
6. Modeling domain walls in ferroelectrics (using, e.g., phase field methods, continuum mechanics, or atomistics)
7. Experimental observation of ferroelectric domain walls using, e.g., scanning probe microscopy
8. Understanding the evolution of magnetic domains (using, e.g., phase field methods or continuum mechanics)
Technical Program
Monday | M1 10:00am-11:40am
| E4-1: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 1311 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 10:00 am | Analysis of plastic anisotropy in nanotwinned copper by a statistical dislocation activation model (Invited)
Caizhi Zhou, Rui Yuan, Irene Beyerlein |
|
| 10:20 am | History-independent fatigue response of nanotwinned metals governed by correlated necklace dislocations
Haofei Zhou, Huajian Gao |
|
| 10:40 am | Temperature triggered stress-driven plasticity and hardening in nanotwinned materials
Seyedeh Mohadeseh Taheri Mousavi, Haofei Zhou, Guijin Zhou, Huajian Gao |
|
| 11:00 am | Crystal size and temperature effects on the transformation in deformation modes in twin oriented Mg single crystals
Gi-Dong Sim, Kelvin Y. Xie, Kevin J. Hemker, Jaafar A. El-Awady |
|
| 11:20 am | The twinning genome: towards a systematic framework for predicting twinning in materials
Dingyi Sun, Mauricio Ponga, Kaushik Bhattacharya, Michael Ortiz |
|
Monday | M2 13:00pm-14:40pm
| E4-2: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 1311 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 13:00 pm | Ferroelectric domain wall dynamics under high power drive conditions (Invited)
Geoff Brennecka |
|
| 13:20 pm | Ferroelectric generators and electro-thermomechanical coupling in shock environments
Vinamra Agrawal, Kaushik Bhattacharya |
|
| 13:40 pm | Influence of electric field-induced ferroelectric domain wall motion on mechanical damping
Will K. Hays, Charles Wojnar |
|
| 14:00 pm | Hysteretic responses of max-phases at room temperature: modeling and experiment
Anastasia Muliana, Berenice Kramer, Junwei Xing, Miladin Radovic |
|
Monday | M3 15:00pm-16:40pm
| E4-3: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 1311 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 15:00 pm | Understanding and exploiting structure-property relationships of grain boundaries and interfaces for materials design (Invited)
Mark A. Tschopp |
|
| 15:20 pm | Atomic-scale studies of defect interactions with homo- and heterophase interfaces (Invited)
Enrique Martinez |
|
| 15:40 pm | Entropic interactions between fluctuating twin boundaries
Yashashree Kulkarni, Dengke Chen |
|
| 16:00 pm | Mobility of grain boundaries with defects via atomistic modeling
Dengke Chen, Yashashree Kulkarni |
|
| 16:20 pm | Fully-nonlocal 3D quasicontinuum modeling of defect interactions with grain boundaries
Ishan Tembhekar, Dennis Kochmann |
|
Tuesday | T1 10:00am-11:40am
| E4-4: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 1311 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 10:00 am | Exhaustive enumeration of solutions to the quantized Frank-Bilby equation in cubic bicrystals (Invited)
Ali Sangghale |
|
| 10:20 am |
Quantification of dislocation behavior and deformation twinning at high strain rates (Invited) Mitra Taheri, Asher Leff, Christopher Barr, Shang-Hao Huang, Evan Kahl, Logan Shanahan, J.P. Lui, Y. Zhang, Leslie Lamberson |
|
| 10:40 am | Modeling and simulation of grain boundary anisotropy-driven mechanics in fcc and bcc materials
Brandon Runnels
|
|
| 11:00 am | Quantifying the dislocation emission process from canocrystalline grain boundaries with continuum-equivalent traction fields
Ruizhi Li, Huck Beng Chew |
|
| 11:20 am | Atomistically derived cohesive zone model of intergranular fracture in polycrystalline graphene
Laurent Guin, Jean Raphanel, Jeffrey W. Kysar |
|
Tuesday | T2 13:00pm-14:40pm
| E4-5: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 1311 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 13:00 pm | Thermomechanics of evolving interfaces within phase field approach (Invited)
Valery Levitas |
|
| 13:20 pm | A new phase-field model for dynamic recrystallization and modeling of tribo-layer formation
Dibakar Datta |
|
| 13:40 pm | Phase field crystal model for generation of grain boundary in graphene with arbitrary tilt angle
Jiaoyan Li |
|
| 14:00 pm | Deformation mechanics of cu-ag nanoscale multilayered metals
Ruizhi Li, Huck Beng Chew |
|
| 14:20 pm | Atomistic simulation algorithm for studying dislocation glide loops’ grain boundary interactions in Al
Khanh Q Dang, Laurent Capolungo, Douglas Spearot |
|
Irene Beyerlein, Los Alamos National Laboratory
irene@lanl.gov
Symposium Technical Description
Boundaries in materials can be separated into various categories: grain boundaries, twinning boundaries, phase transformations, ferroelectric domain walls, and magnetic domain boundaries. The character of these boundaries in materials determines their overall physical properties, e.g. stiffness, strength, plasticity, dielectric constant, piezoelectric constant, coercive field, and magnetic susceptibility. Moreover, the mobility of such boundaries influences their evolution over time, which results in changes in the aforementioned properties. Understanding the influence of boundaries in materials is important in many technological applications including structural materials, electronic materials, and magnetic devices. Therefore accurately predicting boundary character and evolution in materials is important for their exploitation in technological applications. This symposium invites abstract submission on topics related to improving our understanding of the influence of boundaries in materials on overall properties within the following categories (including theoretical, computational, and experimental approaches):
1. Modeling grain boundary anisotropy of energy and mobility in metals and ceramics
2. Computational modeling of grain boundaries in microstructure (using, e.g., atomistic, dislocation dynamics, or phase field methods)
3. Experimental characterization of grain boundary evolution during high temperature processes such as sintering
4. Improving our understanding of the effect of boundaries on material properties
5. Interactions of boundaries with defects
6. Modeling domain walls in ferroelectrics (using, e.g., phase field methods, continuum mechanics, or atomistics)
7. Experimental observation of ferroelectric domain walls using, e.g., scanning probe microscopy
8. Understanding the evolution of magnetic domains (using, e.g., phase field methods or continuum mechanics)
Technical Program
Monday | M1 10:00am-11:40am
| E4-1: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 20 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 10:00 am | Analysis of plastic anisotropy in nanotwinned copper by a statistical dislocation activation model (Invited)
Caizhi Zhou, Rui Yuan, Irene Beyerlein |
|
| 10:20 am | History-independent fatigue response of nanotwinned metals governed by correlated necklace dislocations
Haofei Zhou, Huajian Gao |
|
| 10:40 am | Temperature triggered stress-driven plasticity and hardening in nanotwinned materials
Seyedeh Mohadeseh Taheri Mousavi, Haofei Zhou, Guijin Zhou, Huajian Gao |
|
| 11:00 am | Crystal size and temperature effects on the transformation in deformation modes in twin oriented Mg single crystals
Gi-Dong Sim, Kelvin Y. Xie, Kevin J. Hemker, Jaafar A. El-Awady |
|
| 11:20 am | The twinning genome: towards a systematic framework for predicting twinning in materials
Dingyi Sun, Mauricio Ponga, Kaushik Bhattacharya, Michael Ortiz |
|
Monday | M2 13:00pm-14:40pm
| E4-2: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 20 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 13:00 pm | Ferroelectric domain wall dynamics under high power drive conditions (Invited)
Geoff Brennecka |
|
| 13:20 pm | Ferroelectric generators and electro-thermomechanical coupling in shock environments
Vinamra Agrawal, Kaushik Bhattacharya |
|
| 13:40 pm | Influence of electric field-induced ferroelectric domain wall motion on mechanical damping
Will K. Hays, Charles Wojnar |
|
| 14:00 pm | Hysteretic responses of max-phases at room temperature: modeling and experiment
Anastasia Muliana, Berenice Kramer, Junwei Xing, Miladin Radovic |
|
Monday | M3 15:00pm-16:40pm
| E4-3: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 20 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 15:00 pm | Understanding and exploiting structure-property relationships of grain boundaries and interfaces for materials design (Invited)
Mark A. Tschopp |
|
| 15:20 pm | Atomic-scale studies of defect interactions with homo- and heterophase interfaces (Invited)
Enrique Martinez |
|
| 15:40 pm | Entropic interactions between fluctuating twin boundaries
Yashashree Kulkarni, Dengke Chen |
|
| 16:00 pm | Mobility of grain boundaries with defects via atomistic modeling
Dengke Chen, Yashashree Kulkarni |
|
| 16:20 pm | Fully-nonlocal 3D quasicontinuum modeling of defect interactions with grain boundaries
Ishan Tembhekar, Dennis Kochmann |
|
Tuesday | T1 10:00am-11:40am
| E4-4: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 20 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 10:00 am | Exhaustive enumeration of solutions to the quantized Frank-Bilby equation in cubic bicrystals (Invited)
Ali Sangghale |
|
| 10:20 am |
Quantification of dislocation behavior and deformation twinning at high strain rates (Invited) Mitra Taheri, Asher Leff, Christopher Barr, Shang-Hao Huang, Evan Kahl, Logan Shanahan, J.P. Lui, Y. Zhang, Leslie Lamberson |
|
| 10:40 am | Modeling and simulation of grain boundary anisotropy-driven mechanics in fcc and bcc materials
Brandon Runnels
|
|
| 11:00 am | Quantifying the dislocation emission process from canocrystalline grain boundaries with continuum-equivalent traction fields
Ruizhi Li, Huck Beng Chew |
|
| 11:20 am | Atomistically derived cohesive zone model of intergranular fracture in polycrystalline graphene
Laurent Guin, Jean Raphanel, Jeffrey W. Kysar |
|
Tuesday | T2 13:00pm-14:40pm
| E4-5: Modeling and Characterizing the Mechanics of Boundaries in Materials | ||
| Room 20 | Session Chair: Charles Wojnar, Brandon Runnels, Irene Beyerlein |
Track E: Mechanics in Materials Science |
| 13:00 pm | Thermomechanics of evolving interfaces within phase field approach (Invited)
Valery Levitas |
|
| 13:20 pm | A new phase-field model for dynamic recrystallization and modeling of tribo-layer formation
Dibakar Datta |
|
| 13:40 pm | Phase field crystal model for generation of grain boundary in graphene with arbitrary tilt angle
Jiaoyan Li |
|
| 14:00 pm | Deformation mechanics of cu-ag nanoscale multilayered metals
Ruizhi Li, Huck Beng Chew |
|
| 14:20 pm | Atomistic simulation algorithm for studying dislocation glide loops’ grain boundary interactions in Al
Khanh Q Dang, Laurent Capolungo, Douglas Spearot |
|