#7. Dislocations, Twinning, Phase Transformation, Phonon, Diffusion, and Their Interactions in Materials Manufacturing, Processing, and Testing


  • Liming Xiong, Iowa State University, USA (lmxiong@iastate.edu)
  • Youping Chen, University of Florida, USA
  • Irene Beyerlein, UCSB, USA
  • David McDowell, Georgia Tech, USA


Symposium Focus: the main focus of this symposium is (i) to present and discuss recent developments on atomistic-to-macroscale computer simulations of dislocation-, twinning-, phase transformation-mediated plasticity, phonon-mediated thermal transport, diffusion-mediated mass transport, as well as their interplay in heterogeneous materials exposed to extreme environments (stress, temperature, shock, irradiation, etc.); and (ii) to gain the knowledge that may be utilized for multiscale simulation-based design/manufacturing of advanced materials with desired strength, ductility, thermal-, corrosion-, irradiation-resistance, and even a combination of them.

Three primary focuses of this symposium are:

(1) Multiscale material modeling theories, methodologies, and algorithms, including (a) linking discrete and continuum descriptions of the behavior of solid materials under mechanical, thermal, and many other physical stimuli; (b) concurrently coupled multiscale approaches that integrate models of different length scales into one scheme; (c) sequential multiscale schemes, such as ab initio or atomistic data-informed dislocation dynamics, phase field, crystal plasticity finite element, kinetic Monte Carlo methods, and among several others; as well as (d) linking models of different length scales through machine learning;

(2) Atomistic and multiscale simulation of the dynamics of dislocations, twinning, phase transformation, phonon transport, mass transport, and their reactions with the material interfaces, such as grain boundaries and phase boundaries, in heterogeneous materials.

(3) Computational and experimental analysis of the mechanical, thermal, and mass transport behavior in a variety of high-performance materials from the atomistic to the microstructure level. The material system of interest to this symposium includes, but is not limited to: poly-/nano-crystalline metals, ceramics, lightweight Mg-, Ti-alloys, multilayered metallic composites, superlattices of semiconductors, oxides, high-/medium-entropy alloys, biological/biomimetic materials, biopolymers, minerals, and their composites. Theoretical, computational, and applied studies as well as their synergistic coupling with experiments are all welcome.

Confirmed Keynote Speakers

• Michael Demkowicz (Texas A&M University, United States)
• Hendrik Heinz (University of Colorado Boulder / Amazon, United States)
• Valery Levitas (Iowa State University, United States)
• Jaime Marian (University of California, Los Angeles, United States)
• Yuri Osetsky (Oak Ridge National Laboratory, United States)
• Jeffrey Rickman (Lehigh University, United States)
• Bob Svendsen (RWTH Aachen University, Germany)
• Aidan Thompson ((Sandia National Laboratories, United States)
• Xiaowang Zhou (Sandia National Laboratories, United States)