464 citations · 808 across the 7 of their papers we have counts for
7 papers
Size effect on deformation twinning at the nanoscale in hcp metals
Ya-Fang Guo, Shuang Xu, Xiao-Zhi Tang +2
Deformation twinning is generally considered to be the primary mechanism for hexagonal close-packed (hcp) metals due to their limited slip systems. Recent microcompression experime…
The Classical Nature of Thermal Conduction in Nanofluids
Jacob Eapen, Roberto Rusconi, Roberto Piazza +1
Several new mechanisms have been hypothesized in the recent years to characterize the thermal conduction behavior in nanofluids. In this paper, we show that a large set of nanoflui…
Beyond the Maxwell Limit: Thermal Conduction in Nanofluids with Percolating Fluid Structures
Jacob Eapen, Ju Li, Sidney Yip
In a well-dispersed nanofluid with strong cluster-fluid attraction, thermal conduction paths can arise through percolating amorphous-like interfacial structures. This results in a…
Point defect concentrations in metastable Fe-C alloys
Clemens J. Foerst, Jan Slycke, Krystyn J. Van Vliet +1
Point defect species and concentrations in metastable Fe-C alloys are determined using density functional theory and a constrained free-energy functional. Carbon interstitials domi…
Time-Dependent Density Functional Theory with Ultrasoft Pseudopotential: Real-Time Electron Propagation across Molecular Junction
Xiaofeng Qian, Ju Li, Xi Lin +1
A practical computational scheme based on time-dependent density functional theory (TDDFT) and ultrasoft pseudopotential (USPP) is developed to study electron dynamics in real time…
The stabilizing role of itinerant ferromagnetism in inter-granular cohesion in iron
D. Yesilleten, M. Nastar, T. A. Arias +2
We present a simple, general energy functional for ferromagnetic materials based upon a local spin density extension to the Stoner theory of itinerant ferromagnetism. The functiona…