scholarly journals Solid-state dimer method for calculating solid-solid phase transitions

2014 ◽  
Vol 140 (17) ◽  
pp. 174104 ◽  
Author(s):  
Penghao Xiao ◽  
Daniel Sheppard ◽  
Jutta Rogal ◽  
Graeme Henkelman
1999 ◽  
Vol 18 (20) ◽  
pp. 4191-4196 ◽  
Author(s):  
Dario Braga ◽  
Francesca Paganelli ◽  
Emilio Tagliavini ◽  
Sonia Casolari ◽  
Gianna Cojazzi ◽  
...  

1987 ◽  
Vol 65 (9) ◽  
pp. 2122-2125 ◽  
Author(s):  
Paolo Sgarabotto ◽  
Mario Braghetti ◽  
Rosario Sergio Cataliotti ◽  
Giulio Paliani ◽  
Salvatore Sorriso ◽  
...  

We have studied the vibrational spectra and thermal behaviour of ortho-dinitrotetramethylbenzene (o-DNTMB) to learn more about its molecular and lattice dynamics. The molecule undergoes two solid–solid phase transitions, close to the melting point, which could be explained by the relaxation of forces hindering the methyl-group and nitro-group free rotations. We have deduced the nature of the solid state vibrational motions, particularly those of lattice phonons, using group theory.


1988 ◽  
Vol 66 (4) ◽  
pp. 729-733 ◽  
Author(s):  
Mary Anne White ◽  
Allyson Perrott

The heat capacity of tert-butylaldehyde, (CH3)3CCHO, has been measured as a function of temperature from 29 to 298 K, to investigate solid-state polymorphism. There are two solid–solid phase transitions in this material, Ttr = 158.5 and 183.9 K, ΔStr = 0.402 R and 3.153 R respectively. The thermodynamic parameters for the transitions are consistent with mechanisms proposed on the basis of recent nuclear magnetic resonance investigations of this material.


Biomolecules ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1014
Author(s):  
Macy L. Sprunger ◽  
Meredith E. Jackrel

Aberrant protein folding underpins many neurodegenerative diseases as well as certain myopathies and cancers. Protein misfolding can be driven by the presence of distinctive prion and prion-like regions within certain proteins. These prion and prion-like regions have also been found to drive liquid-liquid phase separation. Liquid-liquid phase separation is thought to be an important physiological process, but one that is prone to malfunction. Thus, aberrant liquid-to-solid phase transitions may drive protein aggregation and fibrillization, which could give rise to pathological inclusions. Here, we review prions and prion-like proteins, their roles in phase separation and disease, as well as potential therapeutic approaches to counter aberrant phase transitions.


2008 ◽  
Vol 368-372 ◽  
pp. 588-590 ◽  
Author(s):  
Ming Hao Fang ◽  
Jun Tong Huang ◽  
Zhao Hui Huang ◽  
Yan Gai Liu ◽  
Bin Jiang ◽  
...  

Single phase YIG powders were synthesized successfully using Fe2O3 and Y2O3 as starting materials by solid state reaction, and YIG ceramics were prepared by pressureless sintering. The influence of synthesizing temperature and Fe2O3 content on the final production were studied The effect of Fe2O3 content on volume density and microstructure of the sintered YIG was also investigated. The results showed that single phase YIG powders were synthesized by solid state reaction at 1400°C for 3h. When Fe2O3 content was excessive 3 wt%, YIG ceramics with a density of 5.294g·cm-3 was fabricated by sintering at 1480°C for 2.5h.


1994 ◽  
Vol 127 (1) ◽  
pp. 41-99 ◽  
Author(s):  
Paolo Cermelli ◽  
Morton E. Gurtin

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