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cond-mat.mtrl-sci2016
Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC
Hao Jiang, Chao Jiang, Dane Morgan +1
Using a combination of kinetic Activation Relaxation Technique with empirical potential and ab initio based climbing image nudged elastic band method, we perform an extensive searc…
cond-mat.mtrl-sci2016
Using machine learning to identify factors that govern amorphization of irradiated pyrochlores
Ghanshyam Pilania, Karl R. Whittle, Chao Jiang +4
Structure-property relationships is a key materials science concept that enables the design of new materials. In the case of materials for application in radiation environments, co…
cond-mat.mtrl-sci2012
First-principles based modeling of hydrogen permeation through Pd-Cu alloys
Lin Qin, Chao Jiang
The solubility and diffusivity of hydrogen in disordered Pd1-xCux alloys are investigated using a combination of first-principles calculations, a composition-dependent local cluste…