66 citations · 69 across the 4 of their papers we have counts for
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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…
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…
Erratum: Size-dependent piezoelectricity and elasticity in nanostructures due to the flexoelectric effect[PHYSICAL REVIEW B 77, 125424 (2008)]
M. S. Majdoub, P. Sharma, T. Cagin
This note corrects some errors in a previously published paper: Size-dependent piezoelectricity and elasticity in nanostructures due to the flexoelectric effect[PHYSICAL REVIEW B 7…
First Principles Force Field for Metallic Tantalum
Alejandro Strachan, Tahir Cagin, Oguz Gulseren +3
We propose a general strategy to develop accurate Force Fields (FF) for metallic systems derived from ab initio quantum mechanical (QM) calculations; we illustrate this approach fo…