2 papers
cond-mat.mtrl-sci2015
Fundamental Study of Hydrogen Segregation at Vacancy and Grain Boundary in Palladium
Hieu H. Pham, Tahir Cagin
We have studied the fundamental process of hydrogen binding at interstitial, vacancy and grain boundary (GB) in palladium crystals using Density-Functional Theory. It showed that h…
cond-mat.mtrl-sci2015
Hydrogen Segregation in Palladium and the Combined Effects of Temperature and Defects on Mechanical Properties
Hieu H. Pham, A. Amine Benzerga, Tahir Cagin
Atomistic calculations were carried out to investigate the mechanical properties of Pd crystals as a combined function of structural defects, hydrogen concentration and high temper…