The Size Dependence of the Melting Temperature of Nanocrystals

V. M. Samsonov; V. V. Dronnikov; O. A. Malkov

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The Size Dependence of the Melting Temperature of Nanocrystals

机译：纳米晶体熔化温度的尺寸依赖性

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The size dependence of the melting temperature of nanocrystals was studied using a thermodynamic approach and molecular dynamics simulation methods. An equation describing the dependence of the melting temperature on the size of small crystals was suggested; as distinct from the classical Thomson formula, this equation took into account the metastable character of equilibrium between the crystalline nucleus and the shell of the melt. The thermodynamic results obtained for small argon crystals were in satisfactory agreement with molecular dynamics simulations of the fusion of Lennard-Jones nanocrystals. Unlike thermodynamics, molecular dynamics simulations predict the existence of a local maximum of the melting temperature for a nanocrystal comprising 1000 molecules.

机译：使用热力学方法和分子动力学模拟方法研究了纳米晶体熔化温度的尺寸依赖性。提出了描述熔化温度对小晶体尺寸的依赖性的方程式;与经典的汤姆森公式不同，该方程式考虑了晶核与熔体壳之间平衡的亚稳特性。小型氩晶体的热力学结果与Lennard-Jones纳米晶体融合的分子动力学模拟令人满意。与热力学不同，分子动力学模拟预测包含1000个分子的纳米晶体的熔化温度存在局部最大值。

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《Russian Journal of Physical Chemistry》 |2004年第7期|共4页
作者
V. M. Samsonov; V. V. Dronnikov; O. A. Malkov;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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3. Size-, Shape-, and Dimensionality-Dependent Melting Temperatures of Nanocrystals [J] . H. M. Lu, P. Y. Li, Z. H. Cao The journal of physical chemistry, C. Nanomaterials and interfaces . 2009,第18期

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5. TEMPERATURE DEPENDENCE OF THE MECHANICAL PROPERTIES OF SOME ALUMINUM ALLOYS CONTAINING LOW MELTING POINT INCLUSIONS. [D] . ROTH, MARTIN CHARLES. 1978

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6. Correlation between band gap dielectric constant Young’s modulus and melting temperature of GaN nanocrystals and their size and shape dependences [O] . Haiming Lu, Xiangkang Meng -1

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机译：GaN纳米晶体的带隙，介电常数，杨氏模量和熔化温度的相关性及其尺寸和形状依赖性

The Size Dependence of the Melting Temperature of Nanocrystals

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