scholarly journals First-principles calculations of the high-temperature phase transformation in yttrium tantalate

2014 ◽  
Vol 90 (9) ◽  
Author(s):  
Jing Feng ◽  
Samuel Shian ◽  
Bing Xiao ◽  
David R. Clarke
Keyword(s):  
Phase Transformation ◽  
High Temperature ◽  
First Principles ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
First Principles Calculations

Humidity sensitive irreversible phase transformation of an open-framework Zinc phosphate and its water-assisted high proton conduction properties

2021 ◽  
Author(s):  
Jing-Wei Yu ◽  
Hai-Jiao Yu ◽  
Qiu Ren ◽  
Jin Zhang ◽  
Yang Zou ◽  
...  
Keyword(s):  
Phase Transformation ◽  
High Temperature ◽  
Zinc Phosphate ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
Open Framework ◽  
High Proton ◽  
Irreversible Phase Transformation ◽  
Low Temperature Phase ◽  
Conduction Properties

Open-framework zinc phosphate (NMe4)(ZnP2O8H3) undergoes irreversible phase transformation. Structural transformation with α (NMe4.Zn[HPO4][H2PO4] the low-temperature phase) and β (NMe4.ZnH3[PO4]2 the high-temperature phase) (Tc=149 °C) and conduction properties were investigated by...

Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates

2001 ◽  
Vol 57 (6) ◽  
pp. 791-799 ◽  
Author(s):  
Menahem Kaftory ◽  
Mark Botoshansky ◽  
Moshe Kapon ◽  
Vitaly Shteiman
Keyword(s):  
Phase Transformation ◽  
High Temperature ◽  
Low Temperature ◽  
Single Crystal ◽  
High Temperature Phase ◽  
Monoclinic Space Group ◽  
Temperature Phase ◽  
Space Group ◽  
Reversible Phase ◽  
Low Temperature Phase

4,6-Dimethoxy-3-methyldihydrotriazine-2-one (1) undergoes a single-crystal to single-crystal reversible phase transformation at 319 K. The low-temperature phase crystallizes in monoclinic space group P21/n with two crystallographically independent molecules in the asymmetric unit. The high-temperature phase is obtained by heating a single crystal of the low-temperature phase. This phase is orthorhombic, space group Pnma, with the molecules occupying a crystallographic mirror plane. The enthalpy of the transformation is 1.34 kJ mol−1. The small energy difference between the two phases and the minimal atomic movement facilitate the single-crystal to single-crystal reversible phase transformation with no destruction of the crystal lattice. On further heating, the high-temperature phase undergoes methyl rearrangement in the solid state. 2,4,6-Trimethoxy-1,3,5-triazine (3), on the other hand, undergoes an irreversible phase transformation from single-crystal to polycrystalline material at 340 K with an enthalpy of 3.9 kJ mol−1; upon further heating it melts and methyl rearrangement takes place.

A new polymorph of Cd3B2O6: synthesis, crystal structure and phase transformation

RSC Advances ◽  
2014 ◽  
Vol 4 (25) ◽  
pp. 13195-13200 ◽  
Author(s):  
Xingwen Zhang ◽  
Hongwei Yu ◽  
Hongping Wu ◽  
Shilie Pan ◽  
Anqing Jiao ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Transformation ◽  
High Temperature ◽  
Transformation Process ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
Phase Transformation Process

A new high-temperature phase of Cd3B2O6 (β-Cd3B2O6) has been discovered and the phase transformation process between α- and β-Cd3B2O6 was investigated.

In situ high-temperature phase transformation studies on pyrite

Fuel ◽  
2009 ◽  
Vol 88 (6) ◽  
pp. 988-993 ◽  
Author(s):  
S.K. Bhargava ◽  
A. Garg ◽  
N.D. Subasinghe
Keyword(s):  
Phase Transformation ◽  
High Temperature ◽  
High Temperature Phase ◽  
Temperature Phase
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