453 citations · 942 across the 19 of their papers we have counts for
19 papers
A Generalized Frank-Bilby Equation for Interfaces in Crystalline Materials
Dongsong Tao, Luchan Zhang, David J. Srolovitz +2
The classical Frank-Bilby equation (FBE) is commonly used to predict the structure of interfaces in crystalline materials in terms of interfacial dislocation networks. However, in…
A Mesoscale Model for Interface-Mediated Plasticity: Investigation of Ductile and Brittle Fracture
Jinxin Yu, Alfonso H. W. Ngan, David J. Srolovitzb +1
The presence of interfaces and grain boundaries significantly impacts the mechanical properties of materials, particularly when dealing with micro- or nano-scale samples. Distinct…
Mesoscale Description of Interface-Mediated Plasticity
Jinxin Yu, Alfonso H. W. Ngan, David J. Srolovitz +1
Dislocation-interface interactions dictate the mechanical properties of polycrystalline materials through dislocation absorption, emission and reflection and interface sliding. We…
Finite-temperature screw dislocation core structures and dynamics in -titanium
Anwen Liu, Tongqi Wen, Jian Han +1
A multiscale approach based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) methods is developed to simulate the dynamics of an screw dislocat…
Disconnection Flow-Mediated Grain Rotation
Caihao Qiu, Marco Salvalaglio, David J. Srolovitz +1
Interface migration in microstructures is mediated by the motion of line defects with step and dislocation character, i.e., disconnections. We propose a continuum model for arbitra…
Atomistic modelling of all dislocations and twins in HCP and BCC Ti
Tongqi Wen, Anwen Liu, Rui Wang +5
Ti exhibits complex plastic deformation controlled by active dislocation and twinning systems. Understandings on dislocation cores and twin interfaces are currently not complete or…
Interface Faceting-Defaceting Mediated by Disconnections
Caihao Qiu, Marco Salvalaglio, David J. Srolovitz +1
An intrinsic feature of nearly all internal interfaces in crystalline systems (homo- and hetero-phase) is the presence of disconnections (topological line defects constrained to th…
Disconnection-Mediated Twin/Twin-Junction Migration in FCC metals
Mingjie Xu, Kongtao Chen, Fan Cao +7
We present the results of novel, time-resolved, in situ HRTEM observations, molecular dynamics (MD) simulations, and disconnection theory that elucidate the mechanism by which the…
Disconnection-Mediated Migration of Interfaces in Microstructures: II. diffuse interface simulations
Marco Salvalaglio, David J. Srolovitz, Jian Han
The motion of interfaces is an essential feature of microstructure evolution in crystalline materials. While atomic-scale descriptions provide mechanistic clarity, continuum descri…
Disconnection-Mediated Migration of Interfaces in Microstructures: I. continuum model
Jian Han, David J. Srolovitz, Marco Salvalaglio
A long-standing goal of materials science is to understand, predict and control the evolution of microstructures in crystalline materials. Most microstructure evolution is controll…
Grain-Boundary Topological Phase Transitions
Kongtao Chen, David J. Srolovitz, Jian Han
The formation and migration of disconnections (line defects constrained to the grain boundary (GB) plane with both dislocation and step character) control many of the kinetic and d…
On the Temperature Dependence of Grain Boundary Mobility
Kongtao Chen, Jian Han, David J. Srolovitz
The grain boundary (GB) mobility relates GB velocity to the thermodynamic driving forces and is central to our understanding of microstructure evolution in polycrystals. Recent mol…
Grain boundary triple junction dynamics: a continuum disconnection model
Chaozhen Wei, Luchan Zhang, Jian Han +2
The microstructure of polycrystalline materials consists of networks of grain boundaries (GBs) and triple junctions (TJs), along which three GBs meet. The evolution of such microst…
A Continuum Multi-Disconnection-Mode Model for Grain Boundary Migration
Chaozhen Wei, Spencer L. Thomas, Jian Han +2
We study the Grain Boundary (GB) migration based on the underlying disconnection structure and mechanism. Disconnections are line defects that lie solely within a GB and are charac…
Strong phonon localization in PbTe with dislocations and large deviation to Matthiessen's rule
Yandong Sun, Yanguang Zhou, Jian Han +5
Dislocations can greatly enhance the figure of merit of thermoelectric materials by prominently reducing thermal conductivity. However, the evolution of phonon modes with different…
Grain Boundary Shear Coupling is Not a Grain Boundary Property
Kongtao Chen, Jian Han, Spencer L. Thomas +1
Shear coupling implies that all grain boundary (GB) migration necessarily creates mechanical stresses/strains and is a key component to the evolution of all polycrystalline microst…
Grain-Boundary Kinetics: A Unified Approach
Jian Han, Spencer L. Thomas, David J. Srolovitz
Grain boundaries (GBs) are central defects for describing polycrystalline materials, and playing major role in a wide-range of physical properties of polycrystals. Control over GB…
A Mathematical Treatment to Determine Transient Growth Kinetics from a Given Size Distribution
Yanhao Dong, Jian Han
Particle coarsening and grain growth take place to minimize the total interfacial energy. The classical mean-field treatments by Lifshitz, Slyozov, [1] Wagner [2] and Hillert [3] p…
A Topological Framework for Local Structure Analysis in Condensed Matter
Emanuel A. Lazar, Jian Han, David J. Srolovitz
Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems d…