479 citations · 881 across the 9 of their papers we have counts for
9 papers
Twin-Boundary Structural Phase Transitions in Elemental Titanium
Mohammad S. Hooshmand, Ruopeng Zhang, Yan Chong +5
Twinning in crystalline materials plays an important role in many transformation and deformation processes, where underlying mechanisms can be strongly influenced by the structural…
Evaluation of Constant Potential Method in Simulating Electric Double-Layer Capacitors
Zhenxing Wang, Yang Yang, David L. Olmsted +2
A major challenge in the molecular simulation of electric double layer capacitors (EDLCs) is the choice of an appropriate model for the electrode. Typically, in such simulations th…
Structural phase transformations in metallic grain boundaries
Timofey Frolov, David L. Olmsted, Mark Asta +1
Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive rese…
Structural disjoining potential for grain boundary premelting and grain coalescence from molecular-dynamics simulations
Saryu Fensin, David Olmsted, Dorel Buta +3
We describe a molecular dynamics framework for the direct calculation of the short-ranged structural forces underlying grain-boundary premelting and grain-coalescence in solidifica…
Method for Computing Short-Range Forces between Solid-Liquid Interfaces Driving Grain Boundary Premelting
J. J. Hoyt, David Olmsted, Saryu Jindal +2
We present a molecular dynamics based method for computing accurately short-range structural forces resulting from the overlap of spatially diffuse solid-liquid interfaces at wette…
Lattice Resistance and Peierls Stress in Finite-size Atomistic Dislocation Simulations
David L. Olmsted, Kedar Y. Hardikar, Rob Phillips
Atomistic computations of the Peierls stress in fcc metals are relatively scarce. By way of contrast, there are many more atomistic computations for bcc metals, as well as mixed di…