Cluster evolution in the rapid cooling process of Cu–Ag melts under high pressure: Molecular-dynamics simulation

Qi, Li; Dong, Liguang; Zhang, S.L.; Ma, Mingzhen; Qin, Jing; Li, G.; Liu, R.P.

doi:10.1016/j.commatsci.2008.01.064

Cited by 30 publications

(3 citation statements)

References 40 publications

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“…These difficulties and adversities overcome with molecular dynamics (MD) simulation as an alternative approach to study the dynamics of supercooling on the atomic scale [9,10]. Together with the developing technology and the HP techniques, today the pressure for the condensed phases has become an important variable such as temperature [6]. In the past years, microstructural changes on these systems have been successfully explained by applying HP to many monatomic metals using MD simulation method [11][12][13][14][15][16][17][18].…”

Section: Introductionmentioning

confidence: 99%

“…In the last four decades, researchers have been able to successfully obtain bulk metallic glasses (BMG) by applying rapid quenching methods to multi-component melts containing three or more elements [3][4][5]. On the other hand, although obtaining BMGs from binary alloys is limited, obtaining BMG from pure metals requires more effort [6,7]. Recently, Zhong et al [8] successfully have obtained monatomic metallic glasses (MG) by quenching metals such as liquid tantalum and vanadium at an unprecedentedly high quenching rate of 10 14 Ks -1 with an experimental approach.…”

Section: Introductionmentioning

confidence: 99%

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Pressure Effects on the Structural Evolution of Monatomic Metallic Liquid Hafnium

Sengül

Celtek

2018

Bitlis Eren Üniversitesi Fen Bilimleri Dergisi

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Structural evolution of monatomic metallic liquid hafnium under high pressures of 0-50 GPa has been investigated by molecular dynamics (MD) simulations using the tight-binding (TB) many body potentials during rapidly solidified processes. The structural evolution and glass formation (GF) process have been analyzed by using pair distribution functions (PDF), Wendt-Abraham (R WA) parameter, Honeycutt-Andersen (HA) and Voronoi tessellation (VT) methods. When the system has been cooled with a cooling rate of 2x10 13 Ks-1 , the glassy states are obtained for P≤40 GPa pressures and the crystalline phase is obtained at P=50 GPa pressure. The number of face-centered cubic (fcc) and hexagonal close-packed (hcp) (fcc + hcp) type bonded pairs increase dramatically, while the number of perfect icosahedra, distorted icosahedra and body-centered cubic (bcc) type bonded pairs decreases with increasing of pressure. This is an indication that the solidification process of the system begins with nucleation in the liquid and that nucleation growth with increasing pressure continues to develop. The results show that the variation of local atomic bonded pairs is of great importance to understand the glass formation and crystallization process. However, it has been observed that the applied high pressure (HP) weakened icosahedral order and increased the fraction of other clusters in glassy hafnium at low temperatures. Furthermore, it has been observed that all glass transition temperatures (Tg), main bond types and main base clusters change with increasing pressure.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Pressure Effects on the Structural Evolution of Monatomic Metallic Liquid Hafnium

Sengül

Celtek

2018

Bitlis Eren Üniversitesi Fen Bilimleri Dergisi

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“…In the past several decades, the specific heat and related thermodynamic properties of under-cooled metals, alloys and oxides have been investigated, by electromagnetic [7][8][9][10][11][12][13][14][15] and electrostatic [16,17] levitation, whose techniques can easily realize the deep under-cooling of melts. But the heat transmission in the process of levitation lacks accurate control and measurement, and the techniques can measure only the average specific heat of under-cooled melts, which does not accurately show the relation between specific heat and temperature.…”

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confidence: 99%

Thermodynamic properties of under-cooled silver melts

Zhu

Wang

et al. 2010

Sci. China Phys. Mech. Astron.

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Differential scanning calorimeter technique combined with the traditional fluxing treatment was used to investigate the specific heat and related thermodynamic properties of under-cooled pure silver melts. The specific heat of the under-cooled melt showed a linear dependence on the temperature in the range of the obtained under-cooling from 0 to 198 K. The related thermodynamic properties of silver, such as the entropy change, the enthalpy change and the Gibbs free energy difference between the under-cooled melt and the solid phase, were derived from the measured specific heat. The relations between the temperature and the thermal diffusion or the thermal conductivity of the under-cooled melt were analyzed respectively. under-cooled silver melts, specific heat, thermodynamic propertiesSpecific heat and related thermodynamic properties of under-cooled liquid melts are very important parameters to further research on the mechanism of non-equilibrium solidification and formation of new metastable materials, and these properties are also essential for describing the nucleation and growth phenomena in under-cooling melts [1-6]. In the past several decades, the specific heat and related thermodynamic properties of under-cooled metals, alloys and oxides have been investigated, by electromagnetic [7-15] and electrostatic [16,17] levitation, whose techniques can easily realize the deep under-cooling of melts. But the heat transmission in the process of levitation lacks accurate control and measurement, and the techniques can measure only the average specific heat of under-cooled melts, which does not accurately show the relation between specific heat and temperature. During repeated melting and solidification, the sample in a suitable flux can be purified and the container wall effects on heterogeneous nucleation can be suppressed. As a result, deep under-cooling can be obtained [18,19]. When combined with the DSC technique, accurate measurement of the specific heat of the deeply under-cooled melts is realized [20][21][22][23].Studies on the measurement of the specific heat of deep under-cooled metal liquids and alloys have been reported recently [24][25][26][27][28], but the accurate experimental data on the specific heat and related thermodynamic properties of the under-cooled melts are still very scarce, for high-melting metals and alloys in the temperature range above 1200 K in particular. The recent literature covers only the measurements of some pure metals and simple binary alloys. In this paper, fluxing treatment is used within a DSC facility to investigate pure silver, a high-melting metal with the melting point temperature of 1233.6 K. The related thermodynamic properties including the enthalpy change, the entropy change, the Gibbs free energy difference, thermal diffusivity and thermal conductivity, are derived on the basis of the experimental results. And their temperature dependence is discussed, respectively. The experimental results are compared with several traditional approximate models based on different...

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Effect of high pressure on the formation and evolution of clusters during the rapid solidification of zirconium melts

Wen

Deng

Liu

et al. 2017

Computational Materials Science

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Cluster evolution in the rapid cooling process of Cu–Ag melts under high pressure: Molecular-dynamics simulation

Cited by 30 publications

References 40 publications

Pressure Effects on the Structural Evolution of Monatomic Metallic Liquid Hafnium

Pressure Effects on the Structural Evolution of Monatomic Metallic Liquid Hafnium

Thermodynamic properties of under-cooled silver melts

Effect of high pressure on the formation and evolution of clusters during the rapid solidification of zirconium melts

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