scholarly journals The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase

2009 ◽  
Vol 11 (3) ◽  
pp. 543-555 ◽  
Author(s):  
J. L. Aragones ◽  
M. M. Conde ◽  
E. G. Noya ◽  
C. Vega
Keyword(s):  
Phase Diagram ◽  
Computer Simulations ◽  
High Pressures ◽  
Crystal Phase ◽  
Plastic Crystal

Prediction of the Xe–He binary phase diagram at high pressures

2015 ◽  
Vol 640 ◽  
pp. 115-118 ◽  
Author(s):  
Yanchao Wang ◽  
Jurong Zhang ◽  
Hanyu Liu ◽  
Guochun Yang
Keyword(s):  
Phase Diagram ◽  
High Pressures ◽  
Binary Phase Diagram ◽  
Binary Phase

scholarly journals The phase diagram of Ti-6Al-4V at high-pressures and high-temperatures

2021 ◽  
Author(s):  
Simon MacLeod ◽  
Daniel Errandonea ◽  
Geoffrey Adam Cox ◽  
Hyunchae Cynn ◽  
Dominik Daisenberger ◽  
...  
Keyword(s):  
Phase Diagram ◽  
High Temperatures ◽  
High Pressures

scholarly journals Ab initio Determination of the Phase Diagram of CO2 at High Pressures and Temperatures

2020 ◽  
Vol 124 (9) ◽  
Author(s):  
Beatriz H. Cogollo-Olivo ◽  
Sananda Biswas ◽  
Sandro Scandolo ◽  
Javier A. Montoya
Keyword(s):  
Phase Diagram ◽  
Ab Initio ◽  
High Pressures ◽  
High Pressures And Temperatures

Phase diagram and bonding states of Ir-P binary compounds at high pressures

2019 ◽  
Vol 791 ◽  
pp. 1257-1262 ◽  
Author(s):  
Xuejiao Ma ◽  
Xin Li ◽  
Dan Zhou ◽  
Jing Xu ◽  
Wenquan Gao ◽  
...  
Keyword(s):  
Phase Diagram ◽  
High Pressures ◽  
Binary Compounds

Quantitative Predictions from Solid-State Physics - What do Phase Diagram Calculators Want?

1982 ◽  
Vol 19 ◽  
Author(s):  
Malcolm Rand
Keyword(s):  
Phase Diagram ◽  
Heat Capacity ◽  
Solid State ◽  
Binary Systems ◽  
High Pressures ◽  
Magnetic Moments ◽  
Configurational Entropy ◽  
Metastable Phases ◽  
Solid State Physics ◽  
Metastable Compounds

ABSTRACTThe types of information required for the calculation of phase diagrams are discussed by considering the computation of typical ternary sections from the constituent binary systems. Such calculations require a knowledge of the Gibbs energy of transformation (lattice stabilities) and Gibbs energies of mixing of wholly metastable, as well as the stable phases in binary systems. Similarly, the stabilities of metastable compounds such as Fe7C3 would be required for computations in the C-Cr-Fe system.These requirements are compared to the information provided by solid-state theoreticians. Essentially such calculations provide enthalpy values at 0 K (or some unspecified temperature for semi-empirical models); however the lattice dynamics and configurational entropy of simple phases have been included in some recent computations. The importance of predicting the entropy and thus heat capacity of metallic phases - particularly metastable phases - is therefore emphasized. Identification of those contributions to the heat capacity which are responsible for the differences between metal polymorphs is discussed, particularly the formalism for magnetic and atomic ordering phenomena. Predictions of ordering temperatures and magnetic moments as a function of composition would be of considerable help for phase diagram calculations.Ab-initio calculations already have considerable success in predicting molar volumes of both stable and metastable phases, so that such information will undoubtedly be of considerable value in studying alloy behaviour at high pressures.

A crystal phase transition and its effect on the dielectric properties of a hydrogenated P(VDF-co-TrFE) with low TrFE molar content

RSC Advances ◽  
2015 ◽  
Vol 5 (130) ◽  
pp. 107557-107565 ◽  
Author(s):  
W. M. Xia ◽  
Y. J. Gu ◽  
C. Y. You ◽  
C. J. Cao ◽  
Z. Xu ◽  
...  
Keyword(s):  
Phase Transition ◽  
Phase Diagram ◽  
Dielectric Properties ◽  
Electric Properties ◽  
Crystal Phase ◽  
Molar Content ◽  
Crystal Phase Transition ◽  
Electric Filed

The crystal phase transition and electric properties of hydrogenated P(VDF-co-TrFE) with low TrFE molar content were characterized with the aid of high electric filed, which is different from traditional P(VDF-co-TrFE) in crystal phase diagram.

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