Thermodynamic properties of liquid glass-forming Ca–Mg alloys

Mishra, Partha Narayan; Milanarun, M.; Jha, Niki S.; Mishra, Amit

doi:10.1016/s0925-8388(01)01988-0

Cited by 17 publications

(10 citation statements)

References 22 publications

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“…Further, the fluctuations in local number density and concentration of liquid alloys have been computed and thermodynamic properties have been evaluated. In the long wavelength limit, the thermodynamically important concentrationconcentration fluctuations, S CC (0), have also been theoretically evaluated unlike other workers who have computed this property for alloys through equations fitted with experimentally evaluated thermodynamic parameters [5,6] and calculated back the same property or their derived properties. The microscopic function 'a' called the chemical short range order parameter gives information regarding the ordering of the particles in the liquid alloys as can be perceived from the S CC (0).…”

Section: Introductionmentioning

confidence: 99%

Theoretical evaluation of structural and various associated properties of Al–Si melts

Mishra

Venkatesh

2008

Chemical Physics

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Section: Introductionmentioning

confidence: 99%

Theoretical evaluation of structural and various associated properties of Al–Si melts

Mishra

Venkatesh

2008

Chemical Physics

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“…3 with the red dots. 15,[31][32][33][34][35][36] It can be clearly seen that these experimental results mostly fall within the predicted hexagonal region; this suggests that our simulation scheme is quite reasonable for the Ca-Mg-Cu system.…”

Section: Glass Formation Region For the Ca-mg-cu Systemmentioning

confidence: 75%

Computational assisted design of the favored composition for metallic glass formation in a Ca–Mg–Cu system

Zhao

et al. 2017

RSC Adv.

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To well predict the favored composition for metallic glass formation in a Ca-Mg-Cu system, a realistic interatomic potential was first constructed for the system and then applied to Monte Carlo simulations. The simulation not only predicts a hexagonal composition region for metallic glass formation, but also provides a favored sub-region within which the amorphization driving force is larger than that outside. The simulations show that the physical origin of glass formation is the solid solution collapsing when the solute atom exceeds the critical solid solubility. Further structural analysis indicates that the 1551 bond pairs (icosahedral-like) dominate in the favored sub-region. The large atomic size difference between Ca, Mg, and Cu extends the short-range landscape, and a microscopic image of the medium-range packing can be described as an extended network of pentagonal bipyramids entangled with four-fold and six-fold disclinations, together fulfilling the space of the metallic glasses. The predictions are well supported by the experimental observations reported to date and can provide guidance for the design of ternary glasses.

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“…Concentration-concentration fluctuations in the long wavelength limit, S cc (0), have been widely used [23,31,34,35] to understand the alloying behaviour of liquid binary alloys. S cc (0) is related to G M as…”

Section: Concentration-concentration Fluctuations In Long Wavelength mentioning

confidence: 99%

“…The Warren-Cowley [36,37] short range order parameter, 1 α is evaluated to quantify the degree of order and is computed theoretically [23,31,37] as…”

Section: Concentration-concentration Fluctuations In Long Wavelength mentioning

confidence: 99%

“…The Gibbs energy of mixing (G M ) and enthalpy of mixing (H M ) are asymmetric about its equiatomic composition where as the entropy of mixing (S M ) is positive at both indium and sodium rich ends and has negative values in the intermediate region [22]. Asymmetry in G M and H M are responsible for promoting complex formation in the liquid binary alloys, but these properties need not necessarily imply complex formation [23]. Hence the concentration-concentration fluctuations at the long wavelength limit (S cc (0)) are one of the most microscopic functions for understanding the nature of interatomic interactions.…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamic properties of liquid InNa alloys

Mishra¹,

Milanarun²

2012

BIBECHANA

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Concept of complex formation model has been applied to account for the thermodynamic properties of liquid InNa alloy. The theoretical study reveals that the intermetallic compound In 3 Na 2 exists at stoichiometric composition. Our expressions reproduce successfully the asymmetric behaviour of free energy of mixing, enthalpy of mixing, s-type entropy of mixing, CSRO and phase separation in liquid InNa alloy. It is found that Na atoms segregate on the surface. The study reveals that various factors such as size difference and electronegative factor are not sufficient to account for the asymmetry in the system. The low value of order energy suggests that In-Na is a weak interacting system.

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Thermodynamic properties of liquid glass-forming Ca–Mg alloys

Cited by 17 publications

References 22 publications

Theoretical evaluation of structural and various associated properties of Al–Si melts

Theoretical evaluation of structural and various associated properties of Al–Si melts

Computational assisted design of the favored composition for metallic glass formation in a Ca–Mg–Cu system

Thermodynamic properties of liquid InNa alloys

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