Atomistic Simulations of Crystal-Melt Interfaces in a Model Binary Alloy: Interfacial Free Energies Adsorption Coe%250Ecients and Excess Entropy
Physical Review B
Abstract not provided.
Publications
Update on Elastic Constants and Grain Boundary Energetics
Abstract not provided.
Using atomistic simulations to inform mesoscale simulations of microstructural evolution
Abstract not provided.
Grain boundary roughening temperature for Ni is predicted to range from below 800K to above 1400K
Abstract not provided.
Premelting of Pure Metals at Grain Boundaries
Science
Abstract not provided.
Premelting of Pure Metals at Grain Boundaries
Science
Abstract not provided.
How close are two grain boundaries? (In the five-dimensional macroscopic crystallographic space.)
Abstract not provided.
How close are two grain boundaries in the five dimensional crystallographic space?
Abstract not provided.
Using Atomistic Simulations to Inform Mesoscale Simulations of Microstrucuture Evolution
Abstract not provided.
Grain boundary interface roughening transition and its effect on grain boundary mobility for non-faceting boundaries
Scripta Materialia
Like other interfaces, equilibrium grain boundaries are smooth at low temperature and rough at high temperature; however, little attention has been paid to roughening except for faceting boundaries. Using molecular dynamics simulations of face-centered cubic Ni, we studied two closely related grain boundaries with different boundary planes. In spite of their similarity, their boundary roughening temperatures differ by several hundred degrees, and boundary mobility is much larger above the roughening temperature. This has important implications for microstructural development during metallurgical processes.
Grain Growth of Metallic Nanocrystals: Insights from Molecular Dynamics
Abstract not provided.
An Atomistic-to-Continuum Coupling Method for Non-Equilibrium Heat Transfer in Solids
Abstract not provided.
12 Results