Bayesian learning of thermodynamic integration and numerical convergence for accurate phase diagrams

V. Ladygin; I. Beniya; E. Makarov; A. Shapeev

doi:10.1103/physrevb.104.104102

Bayesian learning of thermodynamic integration and numerical convergence for accurate phase diagrams

Physical Review B ◽

10.1103/physrevb.104.104102 ◽

2021 ◽

Vol 104 (10) ◽

Author(s):

V. Ladygin ◽

I. Beniya ◽

E. Makarov ◽

A. Shapeev

Keyword(s):

Phase Diagrams ◽

Bayesian Learning ◽

Thermodynamic Integration ◽

Numerical Convergence

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Phase diagrams of charged colloids from thermodynamic integration

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/21/46/465104 ◽

2009 ◽

Vol 21 (46) ◽

pp. 465104 ◽

Cited By ~ 6

Author(s):

A-P Hynninen ◽

A Z Panagiotopoulos

Keyword(s):

Phase Diagrams ◽

Thermodynamic Integration ◽

Charged Colloids

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Transmission electron microscope studies in special ceramics

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100108489 ◽

1978 ◽

Vol 36 (1) ◽

pp. 268-269

Author(s):

A. Zangvil ◽

L.J. Gauckler ◽

G. Schneider ◽

M. Rühle

Keyword(s):

Phase Diagrams ◽

Crystal Structures ◽

Thin Foil ◽

Limited Extent ◽

Complex Materials ◽

X Ray Diffraction ◽

X Ray ◽

Transmission Electron ◽

Electron Microscopes ◽

Lattice Resolution

The use of high temperature special ceramics which are usually complex materials based on oxides, nitrides, carbides and borides of silicon and aluminum, is critically dependent on their thermomechanical and other physical properties. The investigations of the phase diagrams, crystal structures and microstructural features are essential for better understanding of the macro-properties. Phase diagrams and crystal structures have been studied mainly by X-ray diffraction (XRD). Transmission electron microscopy (TEM) has contributed to this field to a very limited extent; it has been used more extensively in the study of microstructure, phase transformations and lattice defects. Often only TEM can give solutions to numerous problems in the above fields, since the various phases exist in extremely fine grains and subgrain structures; single crystals of appreciable size are often not available. Examples with some of our experimental results from two multicomponent systems are presented here. The standard ion thinning technique was used for the preparation of thin foil samples, which were then investigated with JEOL 200A and Siemens ELMISKOP 102 (for the lattice resolution work) electron microscopes.

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