Sutton-Chen potentialsputative stable structuresThe putative stable structures of Au clusters are investigated up to 200 atoms. The interaction of Au atoms is described by Gupta potential and Sutton-Chen potential with experimental-fitted parameters and Sutton-Chen potential with density-functional-theory...
纳米金团簇的尺寸与稳定结构是决定其独特催化活性的重要因素。采用由实验数据拟合的Gupta势函数及由密度泛函计算结果拟合参数的Sutton-Chen势函数来描述金团簇中金原子间相互作用。结合动态格点搜索算法(DLS)和自适应免疫优化算法(AIOA)2种高效优化算法(称之为AIOA-DLS算法),优化At38-90团簇的最稳定结构。基于优化结果...
Corrigendum: a formulation for the characteristic lengths of fcc materials in first strain gradient elasticity via the Sutton-Chen potential. Philos. Mag. 92, 1170-1171.Shodja HM, Tehranchi A (2010) A formulation for the characteristic lengths of fcc materials in first strain gra- dient ...
The structure and energetics of PdN (N = 5–80) clusters have been studied extensively by a Monte Carlo method based on Sutton–Chen many-body potential. The basin-hopping algorithm is used to find the low-energy minima on the potential energy surface for each nuclearity. A variety of stru...
ingentaconnectSURFACE SCIENCE -AMSTERDAM-ToddB.D.Lynden-BellR.M.
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silver alloys/ Sutton-Chen potentialanalytic constructionmany-body potentialSutton-Chen parametrizationThe analytic construction of a many-body potential inspired from the Sutton–Chen parametrization is presented for copper and silver. A new approach is used to model the cross interaction for the Cu–...
A formulation for the characteristic lengths of fcc materials in first strain gradient elasticity via the Sutton-Chen potential. Philos. Mag. 90, 1893-1913.Shodja H. M., Tehranchi A., A formulation for the characteristic lengths of fcc materials in first strain gradient elasticity via the ...
S. Kazanc and S. Ozgen. Thermal and pressure-induced martensitic phase transforma- tions in a Ni-Al alloy modelled by Sutton-Chen embedded atom method. Molecular Simulation, 34(3):251-257, 2008.R. S. Elliott, N. Triantafyllidis, and J. A. Shaw. Stability of crystalline solids-II: ...
Sutton-Chen potentialUsing the density functional theory (DFT) at meta-generalized gradient approximation (meta-GGA) exchange-correlation TPSSTPSS functional with LANL2DZ pseudopotential, the variations of the geometric structures, stabilities and electronic properties with the changes of n and m of ...