Glass transition in disordered clusters

X. Y. Li; D. Y. Sun; X. G. Gong

doi:10.1016/j.physleta.2019.05.032

Glass transition in disordered clusters

X. Y. Li
, D. Y. Sun^*
, X. G. Gong

^*Corresponding author for this work

School of Physics and Electronic Science

East China Normal University
Fudan University
Nanjing University

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Using molecular dynamics simulations, the melting behavior of disordered aluminum clusters with 30∼100 atoms has been systematically studied. We find that, all the disordered clusters undergo a glass transition before completely melting. We identify two characteristic temperatures, i.e. T_s and T_g (the glass transition temperature). When the temperature is higher than T_s, the cluster shape starts to change, accordingly the configurational entropy emerges. For temperatures between T_s and T_g, the disordered clusters show a remarkable cooperative diffusion, more importantly, the activation energy of cooperative diffusions below T_g is always lower than that of the liquid state. We have tried to understand such behavior from potential landscape and configurational entropies.

Original language	English
Pages (from-to)	2604-2609
Number of pages	6
Journal	Physics Letters, Section A: General, Atomic and Solid State Physics
Volume	383
Issue number	22
DOIs	https://doi.org/10.1016/j.physleta.2019.05.032
State	Published - 8 Aug 2019

Keywords

Configuration entropies
Cooperative diffusion
Glass transition
Molecular dynamics

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10.1016/j.physleta.2019.05.032

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title = "Glass transition in disordered clusters",

abstract = "Using molecular dynamics simulations, the melting behavior of disordered aluminum clusters with 30∼100 atoms has been systematically studied. We find that, all the disordered clusters undergo a glass transition before completely melting. We identify two characteristic temperatures, i.e. Ts and Tg (the glass transition temperature). When the temperature is higher than Ts, the cluster shape starts to change, accordingly the configurational entropy emerges. For temperatures between Ts and Tg, the disordered clusters show a remarkable cooperative diffusion, more importantly, the activation energy of cooperative diffusions below Tg is always lower than that of the liquid state. We have tried to understand such behavior from potential landscape and configurational entropies.",

keywords = "Configuration entropies, Cooperative diffusion, Glass transition, Molecular dynamics",

author = "Li, \{X. Y.\} and Sun, \{D. Y.\} and Gong, \{X. G.\}",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",

year = "2019",

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doi = "10.1016/j.physleta.2019.05.032",

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TY - JOUR

T1 - Glass transition in disordered clusters

AU - Li, X. Y.

AU - Sun, D. Y.

AU - Gong, X. G.

PY - 2019/8/8

Y1 - 2019/8/8

N2 - Using molecular dynamics simulations, the melting behavior of disordered aluminum clusters with 30∼100 atoms has been systematically studied. We find that, all the disordered clusters undergo a glass transition before completely melting. We identify two characteristic temperatures, i.e. Ts and Tg (the glass transition temperature). When the temperature is higher than Ts, the cluster shape starts to change, accordingly the configurational entropy emerges. For temperatures between Ts and Tg, the disordered clusters show a remarkable cooperative diffusion, more importantly, the activation energy of cooperative diffusions below Tg is always lower than that of the liquid state. We have tried to understand such behavior from potential landscape and configurational entropies.

AB - Using molecular dynamics simulations, the melting behavior of disordered aluminum clusters with 30∼100 atoms has been systematically studied. We find that, all the disordered clusters undergo a glass transition before completely melting. We identify two characteristic temperatures, i.e. Ts and Tg (the glass transition temperature). When the temperature is higher than Ts, the cluster shape starts to change, accordingly the configurational entropy emerges. For temperatures between Ts and Tg, the disordered clusters show a remarkable cooperative diffusion, more importantly, the activation energy of cooperative diffusions below Tg is always lower than that of the liquid state. We have tried to understand such behavior from potential landscape and configurational entropies.

KW - Configuration entropies

KW - Cooperative diffusion

KW - Glass transition

KW - Molecular dynamics

UR - https://www.scopus.com/pages/publications/85066063069

U2 - 10.1016/j.physleta.2019.05.032

DO - 10.1016/j.physleta.2019.05.032

M3 - 文章

AN - SCOPUS:85066063069

SN - 0375-9601

VL - 383

SP - 2604

EP - 2609

JO - Physics Letters, Section A: General, Atomic and Solid State Physics

JF - Physics Letters, Section A: General, Atomic and Solid State Physics

IS - 22

ER -

Glass transition in disordered clusters

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Keywords

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