Thermodynamic analysis of the La–Mg–Ni bulk metallic glass system

Zhang, Ligang; Dong, Hanwu; Nie, Jian Feng; Meng, Fangui; Jin, S.; Liu, Libing; Jin, Z.S.

doi:10.1016/j.jallcom.2009.10.155

Cited by 14 publications

(4 citation statements)

References 39 publications

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“…The calculated energetic stability trends and crystallographic properties are compared to available experimental results. Except some thermodynamic assessments on the LaÀMgÀNi system 18,19 and some DFT calculations on binaries LaÀNi and MgÀNi, 20,21 as far as we know, the present study is the first systematic calculation done on the ternary system. numbers of unit blocks are stacked with 2(n + 2) A sites and 2(5n + 4) B sites.…”

Section: ' Introductionmentioning

confidence: 99%

Structural Stability of AB_y Phases in the (La,Mg)–Ni System Obtained by Density Functional Theory Calculations

2011

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Conflicting results on the La–Ni phase diagram still exist about the equilibrium state of intermetallic compounds such as La2Ni7 and La5Ni19. Moreover, the substitution of the rare earth by Mg element increases doubts about the phase stability in the La–Mg–Ni ternary system. In this paper, the stability of the AB y phase, where y = (5n + 4)/(n + 2) and n = 1–5, has been studied in the ternary system, with A = La, Mg and B = Ni. The AB y phase formation is explained by the stacking along the c axis of n × [AB 5] + [A 2 B 4] units following two possible sequences, one of rhombohedral and the other of hexagonal symmetry, called, respectively, 3R and 2H. Using Density Functional Theory (DFT) calculations, origins of the observed polymorphic features will be highlighted. A systematic study of every ordered configuration of (La,Mg)Ni3, (La,Mg)2Ni7, (La,Mg)5Ni19, some (La,Mg)6Ni24, and the hypothetical La7Ni29 is presented. From the estimation of the heats of formation, the preferential A site occupation by La and Mg is discussed among the various A crystallographic available sites. Depending on the AB y compound, results allow us to predict which of the 3R or 2H symmetry is the most stable at 0 K as a function of the La–Mg–Ni elemental composition. Crystallographic properties are compared to available experimental results.

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Section: ' Introductionmentioning

confidence: 99%

Structural Stability of AB_y Phases in the (La,Mg)–Ni System Obtained by Density Functional Theory Calculations

2011

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“…De Negri et al [31,32] investigated the phase relations of the La-Mg-Ni system with experimental measurements and plotted the isothermal section at 773 K. Zhang et al [33] analyzed phase equilibria of the La-Mg-Ni bulk metallic glass system and obtained a complete thermodynamic description. Table 1 summarized the unary, binary and ternary phases at the Mg-Ni side of the La-Mg-Ni system from literatures.…”

Section: The La-mg-ni Ternary Systemmentioning

confidence: 99%

Experimental investigation and thermodynamic modeling of the phase equilibria at the Mg–Ni side in the La–Mg–Ni ternary system

Zhang

et al. 2011

Journal of Alloys and Compounds

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“…On the other hand, only Mg-Ni side was assessed by Li et al [15], where most hydrogen storage alloys located, and the thermodynamic model reported in the Ref. [14] was too complicated. The Ni-Cu-La system has been studied in our previous work [16], and a set of self-consistent models and parameters was obtained.…”

Section: Literature About Mg-ni-la-cu Phase Diagramsmentioning

confidence: 99%

Thermodynamic Modeling of the Mg-Ni-La-Cu System

Zhang

2011

AMR

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The isothermal section at 573 K of the Ni-Cu-La system was experimentally validated as well as the Mg-La-Cu system was thermodynamically evaluated. Four sample alloys in the Ni-Cu-La system were prepared and analyzed by ICP, XRD and BSE/EDS. All the experimental results were compared favorably with the calculated phase relationships. For the Mg-La-Cu ternary system, the isothermal section at 673 K was assessed on the basis of the available results in literatures, which showed a good agreement with the experimental data. Based on the thermodynamic models and parameters of the six binaries and four ternaries, the Mg-Ni-La-Cu system was finally modeled. The non-equilibrium solidification path La0.7Mg0.3Ni2.8-xCux (x=0-0.4) and the vertical section of LaNi5-Mg2Cu were calculated and analyzed from the viewpoint of hydrogen storage alloys design.

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Thermodynamic analysis of the La–Mg–Ni bulk metallic glass system

Cited by 14 publications

References 39 publications

Structural Stability of AB_y Phases in the (La,Mg)–Ni System Obtained by Density Functional Theory Calculations

Structural Stability of AB_y Phases in the (La,Mg)–Ni System Obtained by Density Functional Theory Calculations

Experimental investigation and thermodynamic modeling of the phase equilibria at the Mg–Ni side in the La–Mg–Ni ternary system

Thermodynamic Modeling of the Mg-Ni-La-Cu System

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Thermodynamic analysis of the La–Mg–Ni bulk metallic glass system

Cited by 14 publications

References 39 publications

Structural Stability of ABy Phases in the (La,Mg)–Ni System Obtained by Density Functional Theory Calculations

Structural Stability of ABy Phases in the (La,Mg)–Ni System Obtained by Density Functional Theory Calculations

Experimental investigation and thermodynamic modeling of the phase equilibria at the Mg–Ni side in the La–Mg–Ni ternary system

Thermodynamic Modeling of the Mg-Ni-La-Cu System

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Structural Stability of AB_y Phases in the (La,Mg)–Ni System Obtained by Density Functional Theory Calculations

Structural Stability of AB_y Phases in the (La,Mg)–Ni System Obtained by Density Functional Theory Calculations