Temperature dependence of interactions of an ion pair in water: A molecular dynamics study

1992 ◽  
Vol 97 (3) ◽  
pp. 1919-1921 ◽  
Author(s):  
Liem X. Dang
Keyword(s):  
Molecular Dynamics ◽  
Temperature Dependence ◽  
Ion Pair

scholarly journals 1B0945 Temperature Dependence of H-bonding States of Proteins by Molecular Dynamics Simulation

2002 ◽  
Vol 42 (supplement2) ◽  
pp. S17
Author(s):  
Y. Awano ◽  
K. Mori ◽  
Y. Yamada ◽  
Y. Seki ◽  
K. Soda
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Dependence ◽  
Dynamics Simulation

Temperature Dependence and Martensitic Transformation of Ti50Pt50 Shape Memory Alloys

2014 ◽  
Vol 1019 ◽  
pp. 379-384
Author(s):  
M.P. Mashamaite ◽  
Hasani Rich Chauke ◽  
Rosinah Mahlangu ◽  
P.E. Ngoepe
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Martensitic Transformation ◽  
Shape Memory Alloys ◽  
Shape Memory ◽  
Temperature Dependence ◽  
Effect Of Temperature ◽  
Displacive Transformation ◽  
B2 Phase ◽  
Recent Experimental Work

Shape memory alloys (SMAs) are a fascinating group of metals that have two remarkable properties, the shape memory effect and superelasticity. The TiPt structure with the B2 phase has been reported to undergo a reversible displacive transformation to B19 martensite at about 1200K. However, this system could serve in principle as the basis of high-temperature shape memory alloys. Molecular dynamics study of martensitic transformation in platinum titanium alloys was performed to investigate the effect of temperature dependence on B2 and B19 structures at 50 at.%Pt. The NPT ensemble was used to determine the properties of these systems and we found good comparisons with recent experimental work. The temperature dependence of TiPt shows potential martensitic change when B19 is heated to extreme high temperatures of 273K up to 1573K.

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