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Atomistic Investigation Of Scratching-Induced Deformation Twinning In Nanocrystalline Cu, Junjie Zhang, Tao Sun, Yoganda Yan, Dong Shen, Xiaodong Li
Atomistic Investigation Of Scratching-Induced Deformation Twinning In Nanocrystalline Cu, Junjie Zhang, Tao Sun, Yoganda Yan, Dong Shen, Xiaodong Li
Faculty Publications
Deformation twinning is an important deformation mode of nanocrystalline metals. In current study, we investigate the scratching-induced deformation twinning in nanocrystallineCu by means of molecular dynamics simulations. The tribological behavior, the deformation mechanisms, the formation mechanism of deformation twins, and the grain size dependence of the propensity of deformation twinning are elucidated. Simulation results demonstrate that deformation twinning plays an important role in the plastic deformation of nanocrystallineCu under nanoscratching, in addition to dislocation activity and grain boundary-associated mechanism. The nucleation of initial twinning partial dislocations originates from the dissociation of lattice partial dislocations that emit from grain boundary triple …
Predicting The Hydrogen Pressure To Achieve Ultralow Friction And Diamondlike Carbon Surfaces From First Principles, Haibo Guo, Yue Qi, Xiaodong Li
Predicting The Hydrogen Pressure To Achieve Ultralow Friction And Diamondlike Carbon Surfaces From First Principles, Haibo Guo, Yue Qi, Xiaodong Li
Faculty Publications
Hydrogen atmosphere can significantly change the tribological behavior at diamond and diamondlike carbon (DLC) surfaces and the friction-reducing effect depends on the partial pressure of hydrogen. We combined density functional theory modeling and thermodynamic quantities to predict the equilibrium partial pressures of hydrogen at temperature T, PH2 (T), for a fully atomic hydrogen passivated diamondsurface. Above the equilibrium PH2 (T), ultralow friction can be achieved at diamond and DLC surfaces. The calculation agrees well with friction tests at various testing conditions. We also show that PH2 (T) …