Molecular dynamics study of the high-temperature elasticity of SiO2 polymorphs: Structural phase transition and elastic anomaly

2005 ◽  
Vol 242 (3) ◽  
pp. 607-620 ◽  
Author(s):  
Hajime Kimizuka ◽  
Hideo Kaburaki
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
High Temperature ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Sio2 Polymorphs

scholarly journals Molecular dynamics and structural phase transition in C60nanowhiskers

2009 ◽  
Vol 159 ◽  
pp. 012022 ◽  
Author(s):  
Hideaki Kitazawa ◽  
Kenjiro Hashi ◽  
Tuerxun Wuernisha ◽  
Kayoko Hotta ◽  
Cherry L Ringor ◽  
...  
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Structural Phase Transition ◽  
Structural Phase

A high temperature structural phase transition in crocoite (PbCrO4) at 1068 K: crystal structure refinement at 1073 K and thermal expansion tensor determination at 1000 K

2000 ◽  
Vol 64 (2) ◽  
pp. 291-300 ◽  
Author(s):  
K. S. Knight
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Thermal Expansion ◽  
High Temperature ◽  
Structural Phase Transition ◽  
Structural Phase ◽  
Structure Type ◽  
Temperature Phase ◽  
Thermal Expansion Tensor ◽  
Principal Axes

AbstractHigh-resolution, neutron time-of-flight, powder diffraction data have been collected on natural crocoite between 873 and 1073 K. Thermal analysis carried out in the 1920s had suggested that chemically pure PbCrO4 exhibited two structural phase transitions, at 964 K, to the β phase, and at 1056 K, to the γ phase. In this study, no evidence was found for the α-β structural phase transition, however a high-temperature phase transition was found at ∼1068 K from the ambient-temperature monazite structure type to the baryte structure type. The phase transition, close to the temperatures reported for the β to γ phase modifications, is first order and is accompanied by a change in volume of −1.6%. The crystal structure of this phase has been refined using the Rietveld method to agreement factors of Rp = 0.018, Rwp = 0.019, Rp = 0.011. No evidence for premonitory behaviour was found in the temperature dependence of the monoclinic lattice constants rom 873 K to 1063 K and these have been used to determine the thermal expansion tensor of crocoite just below the phase transition. At 1000 K the magnitudes of the tensor coefficients are α11, 2.66(1) × 10−5 K−1; α22, 2.04(1) × 10−5 K−1; α33, 4.67(4) × 10−5 K−1; and α13, −1.80(2) × 10−5 K−1 using the IRE convention for the orientation of the tensor basis. The orientation of the principal axes of the thermal expansion tensor are very close to those reported previously for the temperature range 50–300 K.

Holmium induced enhanced functionality at room temperature and structural phase transition at high temperature in bismuth ferrite nanoparticles

2016 ◽  
Vol 4 (4) ◽  
pp. 780-792 ◽  
Author(s):  
Smita Chaturvedi ◽  
Rabindranath Bag ◽  
Vasant Sathe ◽  
Sulabha Kulkarni ◽  
Surjeet Singh
Keyword(s):  
Phase Transition ◽  
High Temperature ◽  
High Temperatures ◽  
Structural Phase Transition ◽  
Room Temperature ◽  
Bismuth Ferrite ◽  
Structural Phase ◽  
Ferrite Nanoparticles ◽  
High Coercivity ◽  
Remnant Magnetization

Ho-doped sample simultaneously exhibits high-coercivity and enhanced remnant magnetization with a polar R3c symmetry at room temperature. The onset of R3c to Pnma phase transition is observed at high temperatures in the Ho-doped samples.

An optoelectronic duple bistable phosphate with ultrahigh thermal stability

2018 ◽  
Vol 6 (2) ◽  
pp. 388-392 ◽  
Author(s):  
Yaoguo Shen ◽  
Sangen Zhao ◽  
Chenxi Wang ◽  
Zujian Wang ◽  
Jianghe Feng ◽  
...  
Keyword(s):  
Phase Transition ◽  
Thermal Stability ◽  
High Temperature ◽  
Structural Phase Transition ◽  
Nonlinear Optical ◽  
Structural Phase

A new inorganic CsCdPO4 shows quadratic nonlinear optical and dielectric duple bistability, resulting from a high-temperature order–disorder structural phase transition.

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