Browsing by Author "Wen, B."
Now showing items 1-7 of 7
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Electrochemical Potential Derived from Atomic Cluster Structures
Du, J.; Xiao, D.; Wen, B.; Melnik, R.; Kawazoe, Y. (2016-01-01)Based on the atomic cluster structures and free electron approximation model, it is revealed that the electrochemical potential (ECP) for the system of interest is proportional to the reciprocal of atomic cluster radius ... -
Geometry and temperature dependent thermal conductivity of diamond nanowires: A non-equilibrium molecular dynamics study
Guo, J.; Wen, B.; Melnik, R.; Yao, S.; Li, T. (2010-12-31)Using non-equilibrium molecular dynamics methods, the analysis of geometry and temperature dependent thermal conductivities of diamond nanowires is carried out. It is found that at the same temperature conditions, thermal ... -
Hidden electronic rule in the "cluster-plus-glue-Atom" model
Du, J.; Dong, C.; Melnik, R.; Kawazoe, Y.; Wen, B. (2016-10-01)Electrons and their interactions are intrinsic factors to affect the structure and properties of materials. Based on the “cluster-cluster-plus-glue-atom” model, an electron counting rule for complex metallic alloys (CMAs) ... -
Mechanism of hydrogen production via water splitting on 3C-SiC's different surfaces: A first-principles study
Du, J.; Wen, B.; Melnik, R. (2014-12-31)The reaction mechanism of producing hydrogen via water splitting on the different surfaces of cubic silicon carbide (3C-SiC), the adsorption energy and the activation energy have been studied here by using density functional ... -
Molecular dynamics study on diamond nanowires mechanical properties: Strain rate, temperature and size dependent effects
Guo, J.; Wen, B.; Melnik, R.; Yao, S.; Li, T. (2011-12-31)Using molecular dynamics simulations, strain rate, temperature and size dependent mechanical properties of < 001 > orientation diamond nanowires are investigated. It is found that, for the same cross-sectional areas, ... -
Molecular dynamics study on ZnO nanowires mechanical properties: Strain rate, temperature and size dependent effects
Guo, J.; Wen, B.; Melnik, R. (2012-12-31)Using molecular dynamics simulations, strain rate, temperature, size and orientation dependent mechanical properties of zinc oxide (ZnO) nanowire are carried out with tensile loading. It is found that, for the same ... -
Three Dimensional Metallic Carbon from Distorting sp3-Bond
Cheng, Y.; Melnik, R.; Kawazoe, Y.; Wen, B. (2016-01-01)Owing to the outstanding properties of metallic carbon as well as their great potential applications, design and synthesis of metallic carbon have long attracted considerable attention. In this work, a new three-dimensional ...