Self-consistent thermodynamic description of silicate liquids, with application to shock melting of MgO periclase and MgSiO3perovskite

No thermodynamic description was performed for the Co-Mg binary system according to literature review. Consequently, this binary system has been investigated by means of CALPHAD (CALculation of PHAse Diagrams) approach in the present work. The experimental phase diagram and thermodynamic data available in the literature were critically assessed. Based on the reliable literature data, a new set of self-consistent thermodynamic parameters for the Co-Mg system is obtained. The calculated results agree well with the experimental data from the literature, indicating the reasonability of the present thermodynamic optimization.

Download Full-text

Thermodynamic description of the Al-Cu-Yb ternary system supported by first-principles calculations

Journal of Mining and Metallurgy Section B Metallurgy ◽

10.2298/jmmb150709013h ◽

2016 ◽

Vol 52 (2) ◽

pp. 177-183 ◽

Cited By ~ 2

Author(s):

G. Huang ◽

L. Liu ◽

L. Zhang ◽

Z. Jin

Keyword(s):

Ternary System ◽

First Principles ◽

Thermodynamic Description ◽

Theoretical Data ◽

Intermetallic Phases ◽

Calphad Method ◽

First Principles Calculations ◽

Self Consistent ◽

Ternary Intermetallic Compounds ◽

Phase Relationships

Phase relationships of the ternary Al-Cu-Yb system have been assessed using a combination of CALPHAD method and first principles calculations. A self-consistent thermodynamic parameter was established based on the experimental and theoretical information. Most of the binary intermetallic phases, except Al3Yb, Al2Yb, Cu2Yb and Cu5Yb, were assumed to be zero solubility in the ternary system. Based on the experimental data, eight ternary intermetallic compounds were taken into consideration in this system. Among them, three were treated as line compounds with large homogeneity ranges for Al and Cu. The others were treated as stoichiometric compounds. The calculated phase diagrams were in agreement with available experimental and theoretical data.

Download Full-text

Self-Consistent Thermodynamic Description of a Nonmetallic Nonferromagnetic Solid (using silicon as an example)

High Temperature ◽

10.1023/b:hite.0000039984.62689.c8 ◽

2004 ◽

Vol 42 (4) ◽

pp. 565-573

Author(s):

V. Yu. Bodryakov ◽

A. A. Povzner

Keyword(s):

Thermodynamic Description ◽

Self Consistent

Download Full-text

Thermodynamic assessment of the Pb-Sr system

Journal of Mining and Metallurgy Section B Metallurgy ◽

10.2298/jmmb170302013z ◽

2017 ◽

Vol 53 (3) ◽

pp. 179-187 ◽

Cited By ~ 1

Author(s):

H. Zhang ◽

C. Zhang ◽

W.W. Wang ◽

Y. Du ◽

P. Zhou ◽

...

Keyword(s):

First Principles ◽

Thermodynamic Assessment ◽

Thermodynamic Description ◽

Experimental Information ◽

Enthalpies Of Formation ◽

First Principles Calculations ◽

Exponential Polynomials ◽

Self Consistent ◽

Five Phases ◽

Measured Phase Diagram

The Pb-Sr system has been critically reviewed and modeled by means of the CALPHAD (CALculation of PHAse Diagrams) approach. It contains seven stoichiometric compounds, i.e. SrPb3, Sr3Pb5, Sr2Pb3, SrPb, Sr5Pb4, Sr5Pb3 and Sr2Pb, in which the SrPb3 and Sr2Pb phases melt congruently, and the other five phases form via peritectic reactions. The enthalpies of formation for the intermetallic compounds at 0 K are provided by first-principles calculations. The liquid, fcc and bcc phases are modeled as substitutional solution phases. Both Redlich-Kister and exponential polynomials are used to describe the excess Gibbs energy of the liquid. Two sets of self-consistent thermodynamic parameters are obtained by considering reliable experimental data and the computed enthalpies of formation. Comprehensive comparisons between the calculated and measured phase diagram and thermodynamic data show that the experimental information is satisfactorily accounted for by the present thermodynamic description.

Download Full-text

The evolution of the Kuiper belt during the formation of the outer planets

International Astronomical Union Colloquium ◽

10.1017/s0252921100031213 ◽

1999 ◽

Vol 173 ◽

pp. 37-44

Author(s):

M.D. Melita ◽

A. Brunini

Keyword(s):

Kuiper Belt ◽

Outer Planets ◽

Self Consistent ◽

Planetary Bodies ◽

Mass Depletion

AbstractA self-consistent study of the formation of planetary bodies beyond the orbit of Saturn and the evolution of Kuiper disks is carried out by means of an N-body code where accretion and gravitational encounters are considered. This investigation is focused on the aggregation of massive bodies in the outer planetary region and on the consequences of such process in the corresponding cometary belt. We study the link between the bombardment of massive bodies and mass depletion and eccentricity excitation.

Download Full-text