Structure–property correlation of a hockey stick-shaped compound exhibiting N-SmA-SmCa phase transitions

Soft Matter ◽  
2012 ◽  
Vol 8 (7) ◽  
pp. 2322 ◽  
Author(s):  
P. Sathyanarayana ◽  
S. Radhika ◽  
B. K. Sadashiva ◽  
Surajit Dhara
Keyword(s):  
Phase Transitions ◽  
Structure Property ◽  
Hockey Stick ◽  
Property Correlation

Structure-Property Correlation of Halogen Substituted Benzothiazole Crystals

2021 ◽  
pp. 130765
Author(s):  
Nipun P. Thekkeppat ◽  
Labhini Singla ◽  
Srinu Tothadi ◽  
Priyadip Das ◽  
Angshuman Roy Choudhury ◽  
...  
Keyword(s):  
Structure Property ◽  
Property Correlation

On the nature of the phase transitions of aluminosilicate perrhenate sodalite

2020 ◽  
Vol 235 (6-7) ◽  
pp. 213-223
Author(s):  
Hilke Petersen ◽  
Lars Robben ◽  
Thorsten M. Gesing
Keyword(s):  
Raman Spectroscopy ◽  
Phase Transitions ◽  
Decomposition Temperature ◽  
Second Phase ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Two Phase ◽  
Structure Property Relationships ◽  
Heat Capacity Measurements

AbstractThe temperature-dependent structure-property relationships of the aluminosilicate perrhenate sodalite |Na8(ReO4)2|[AlSiO4]6 (ReO4-SOD) were analysed via powder X-ray diffraction (PXRD), Raman spectroscopy and heat capacity measurements. ReO4-SOD shows two phase transitions in the investigated temperature range (13 K < T < 1480 K). The first one at 218.6(1) K is correlated to the transition of dynamically ordered $P\overline{4}3n$ (> 218.6(1 K) to a statically disordered (<218.6(1) K) SOD template in $P\overline{4}3n$. The loss of the dynamics of the template anion during cooling causes an increase of disorder, indicated by an unusual intensity decrease of the 011-reflection and an increase of the Re-O2 bond length with decreasing temperature. Additionally, Raman spectroscopy shows a distortion of the ReO4 anion. Upon heating the thermal expansion of the sodalite cage originated in the tilt-mechanism causes the second phase transition at 442(1) K resulting in a symmetry-increase from $P\overline{4}3n$ to $Pm\overline{3}n$, the structure with the sodalites full framework expansion. Noteworthy is the high decomposition temperature of 1320(10) K.

scholarly journals Frontispiece: Terpyridine‐Based 3D Metal–Organic‐Frameworks: A Structure–Property Correlation

2021 ◽  
Vol 27 (19) ◽  
Author(s):  
Syed Meheboob Elahi ◽  
Mukul Raizada ◽  
Pradip Kumar Sahu ◽  
Sanjit Konar
Keyword(s):  
Metal Organic Frameworks ◽  
Structure Property ◽  
Property Correlation ◽  
Metal Organic

Structure-property correlation study through sum-over-state approach

2015 ◽  
Author(s):  
P. K. Nandi ◽  
K. Hatua ◽  
A. K. Bansh ◽  
N. Panja ◽  
T. K. Ghanty
Keyword(s):  
Correlation Study ◽  
Structure Property ◽  
Property Correlation

scholarly journals Numerical simulation of dual-phase steel based on real and virtual three-dimensional microstructures

2021 ◽  
Author(s):  
Frederik Scherff ◽  
Jessica Gola ◽  
Sebastian Scholl ◽  
Kinshuk Srivastava ◽  
Thorsten Staudt ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Simulation Model ◽  
Dual Phase Steel ◽  
Three Dimensional ◽  
Simultaneous Increase ◽  
Dual Phase ◽  
Structure Property ◽  
Heavy Plate ◽  
Property Correlation ◽  
Process Route

AbstractDual-phase steel shows a strong connection between its microstructure and its mechanical properties. This structure–property correlation is caused by the composition of the microstructure of a soft ferritic matrix with embedded hard martensite areas, leading to a simultaneous increase in strength and ductility. As a result, dual-phase steels are widely used especially for strength-relevant and energy-absorbing sheet metal structures. However, their use as heavy plate steel is also desirable. Therefore, a better understanding of the structure–property correlation is of great interest. Microstructure-based simulation is essential for a realistic simulation of the mechanical properties of dual-phase steel. This paper describes the entire process route of such a simulation, from the extraction of the microstructure by 3D tomography and the determination of the properties of the individual phases by nanoindentation, to the implementation of a simulation model and its validation by experiments. In addition to simulations based on real microstructures, simulations based on virtual microstructures are also of great importance. Thus, a model for the generation of virtual microstructures is presented, allowing for the same statistical properties as real microstructures. With the help of these structures and the aforementioned simulation model, it is then possible to predict the mechanical properties of a dual-phase steel, whose three-dimensional (3D) microstructure is not yet known with high accuracy. This will enable future investigations of new dual-phase steel microstructures within a virtual laboratory even before their production.

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