Modelling gold clusters with the empirical many-body potential

N. T. Wilson; R. L. Johnston

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Modelling gold clusters with the empirical many-body potential

机译：具有经验多体势的金团簇模型

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Molecular Dynamics Simulated Annealing has been used to probe the structure of small Au clusters consisting of between 2 and 40 atoms. The interatomic interactions within these clusters are described using an empirical Murrell-Mottram many-body potential energy function. Four distinct structural motifs are present in the structures of the predicted global minima, based on octahedra, decahedra, icosahedra and hexagonal prisms.

机译：分子动力学模拟退火已用于探测由2至40个原子组成的小金簇的结构。使用经验性Murrell-Mottram多体势能函数描述了这些簇中的原子间相互作用。基于八面体，十面体，二十面体和六棱柱，预测的全局最小值的结构中存在四个不同的结构图案。

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《The European physical journal, D. Atomic, molecular, and optical physics》 |2000年第1期|共9页
作者
N. T. Wilson; R. L. Johnston;
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正文语种 eng
中图分类分子物理学、原子物理学;
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61.46.+w clusters; nanoparticles; and nanocrystalline materials; 36.40.-c atomic and molecular clusters;

机译：61.46。+ w团簇;纳米粒子;纳米晶体材料;36.40.-c原子和分子团簇;

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1. Modelling gold clusters with the empirical many-body potential [J] . N. T. Wilson, R. L. Johnston The European physical journal, D. Atomic, molecular, and optical physics . 2000,第1期

机译：具有经验多体势的金团簇模型
2. Can the OH stretch vibrational spectra of (H2O)(n) cluster (n = 1-6) be estimated from an empirical many-body model and a polynomial OH stretch potential? [J] . Masella M., Flament JP. Chemical Physics Letters . 1998,第1a2期

机译：可以根据经验多体模型和多项式OH拉伸势来估计（H2O）（n）簇（n = 1-6）的OH拉伸振动谱吗？
3. Can the OH stretch vibrational spectra of (H2O)(n) cluster (n = 1-6) be estimated from an empirical many-body model and a polynomial OH stretch potential? [J] . Masella M., Flament JP. Chemical Physics Letters . 1998,第1a2期

机译：可以根据经验多体模型和多项式OH拉伸势来估计（H2O）（n）簇（n = 1-6）的OH拉伸振动谱吗？
4. Theoretical Study on Structures of Gold, Silver and Copper Clusters Using Relativistic Model Core Potentials [C] . H. NAKASHIMA, H. MORI, MA SAN MON, WSEAS International Conferences . 2007

机译：相对论模型核心电位的金，银和铜簇结构的理论研究
5. Packing effects in mixed Lennard-Jones clusters and potential energy functions for alkylthiolates and C60 on the gold (111) surface . [D] . Cleary, Sean Michael. 2008

机译：混合Lennard-Jones簇中的堆积效应以及烷基硫醇盐和C60在金（111）表面上的势能函数。
6. Modeling Molecular Interactions in Water: From Pairwiseto Many-Body Potential Energy Functions [O] . GerardoAndrés Cisneros, Kjartan Thor Wikfeldt, Lars Ojamäe, -1

机译：建模水中的分子相互作用：成对多体势能函数
7. Modelling Aluminium Clusters with an Empirical Many-Body Potential [O] . Lesley D. Lloyd, Roy L. Johnston 2007

机译：具有经验多体势的铝团簇建模

Modelling gold clusters with the empirical many-body potential

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