Glass-forming ability determined by an<i>n</i>-body potential in a highly immiscible Cu-W system through molecular dynamics simulations

Gong, H.R.; Kong, Lingti; Wang, Lai; Liu, B. X.

doi:10.1103/physrevb.68.144201

Cited by 26 publications

(27 citation statements)

References 30 publications

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“…Molecular dynamics ͑MD͒ simulations have been successfully performed to analyze the structural, thermodynamic, and dynamic properties and to investigate the glass forming mechanism of simple Cu-Y, Ni-Zr, Cu-Ag, Cu-Ni, Ni-Mo, Be-Zr, Ni-Zr-Al, Cu-W, Fe-C ͑B, P͒, and Cu-Mg amorphous alloys [24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39][40] at a microscopic level on a scale ranging from the vibration to the mesoscopic times. However, most of these simple binary alloys mentioned above, which showed good glass forming abilities in simulation processes, cannot be fabricated into bulk amorphous samples experimentally.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics study of the binaryCu46Zr54metallic glass motivated by experiments: Glass formation and atomic-level structure

et al. 2005

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We have identified a binary bulk metallic glass forming alloy Cu 46 Zr 54 by analyzing the structure and thermal behaviors of copper mold cast samples using x-ray diffraction, transmission electron microscopy, and differential scanning calorimeter. Motivated by these experimental results, we fitted the effective RosatoGuillope-Legrand-type force field parameters for the binary Cu-Zr alloy system and the atomistic description of glass formation and structure analysis of the Cu 46 Zr 54 alloy based on molecular dynamics simulation will be also presented.

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Section: Introductionmentioning

confidence: 99%

Molecular dynamics study of the binaryCu46Zr54metallic glass motivated by experiments: Glass formation and atomic-level structure

et al. 2005

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“…[10][11][12][17][18][19][20][21][22][23][24][25][26][27][28][29][30]. A critical review assessing their strengths and weaknesses is given in [13].…”

Section: Methodsmentioning

confidence: 99%

On the binding of nanometric hydrogen–helium clusters in tungsten

Bonny

Grigorev

Terentyev

2014

J. Phys.: Condens. Matter

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In this work we developed an embedded atom method potential for large scale atomistic simulations in the ternary tungsten-hydrogen-helium (W-H-He) system, focusing on applications in the fusion research domain. Following available ab initio data, the potential reproduces key interactions between H, He and point defects in W and utilizes the most recent potential for matrix W. The potential is applied to assess the thermal stability of various H-He complexes of sizes too large for ab initio techniques. The results show that the dissociation of H-He clusters stabilized by vacancies will occur primarily by emission of hydrogen atoms and then by break-up of V-He complexes, indicating that H-He interaction does influence the release of hydrogen.

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“…By employing such method, the GFRs have been determined for some miscible (Ni-Mo, Ni-Ti, Ni-Zr, Ni-Hf, and NiNb), immiscible (Cu-W and Ag-Co) binary metal systems and Ni-Hf-Ti ternary system, and the calculated GFRs are in good agreement with the experimental observations. [7][8][9][10][11][12][13] It should be noted that the abovementioned method to evaluate the GFR is applied mainly to binary metal systems. For ternary metal systems, few corresponding study has so far been reported to predict the glass-forming composition range(s).…”

Section: Introductionmentioning

confidence: 99%

Formation of the Ni–Zr–Al Ternary Metallic Glasses Investigated by Interatomic Potential through Molecular Dynamic Simulation

Zhao

Liu

2010

J. Phys. Soc. Jpn.

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Under the framework of second moment approximation of the tight binding theory, a realistic interatomic potential is first developed for the Ni-Zr-Al ternary metal system and then applied to predict the glass-forming ability of the system through molecular dynamics simulation. It is found that when the composition falls into the hexagonal region defined by six vertexes of Ni Al 0 , the super-saturated solid solution becomes unstable and spontaneously turns into the disorder state, i.e., the metallic glass state. The defined composition region could be considered as a quantitative glass-forming ability, within which the Ni-ZrAl ternary metallic glass is predicted to be energetically favored to form. Interestingly, the prediction based on the interatomic potential matches well with experimental observations.

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Glass-forming ability determined by ann-body potential in a highly immiscible Cu-W system through molecular dynamics simulations

Cited by 26 publications

References 30 publications

Molecular dynamics study of the binaryCu46Zr54metallic glass motivated by experiments: Glass formation and atomic-level structure

Molecular dynamics study of the binaryCu46Zr54metallic glass motivated by experiments: Glass formation and atomic-level structure

On the binding of nanometric hydrogen–helium clusters in tungsten

Formation of the Ni–Zr–Al Ternary Metallic Glasses Investigated by Interatomic Potential through Molecular Dynamic Simulation

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