Unified thermodynamic stability analysis in fluids and elastic materials

2021 ◽  
Vol 549 ◽  
pp. 113219
Author(s):  
Tomáš Smejkal ◽  
Abbas Firoozabadi ◽  
Jiří Mikyška
2018 ◽  
Vol 123 (2) ◽  
pp. 542-550 ◽  
Author(s):  
Daichi Sakurai ◽  
Soumyadeep Paul ◽  
Wei-Lun Hsu ◽  
Hirofumi Daiguji ◽  
Fumio Takemura

2009 ◽  
Vol 1216 ◽  
Author(s):  
Zbigniew Łodziana ◽  
Andreas Borgschulte ◽  
Robin Germaud ◽  
Arndt Remhof ◽  
Andreas Züttel

AbstractMetal tetrahydroborates remain interesting materials as potential hydrogen storage media. In the present paper, we analyze thermodynamic stability of borohydrides of Al and Zr by means of extensive density functional calculations. We show that solid phases of these compounds are formed by dispersive Van der Waals forces. These compounds are thermodynamically unstable at room temperature with respect to decomposition to boron and hydrogen. Their stability is explained by formation of diborane as a necessary step in the decomposition path, pointing out to the kinetic factors that are important for the stability analysis of metal borohydrides.


2016 ◽  
Vol 105 (6) ◽  
pp. 1901-1906 ◽  
Author(s):  
Michael Svärd ◽  
Masood Valavi ◽  
Dikshitkumar Khamar ◽  
Manuel Kuhs ◽  
Åke C. Rasmuson

2013 ◽  
Vol 58 ◽  
pp. 300-306 ◽  
Author(s):  
Caiqin Yang ◽  
Tiankun Ren ◽  
Jing Wang ◽  
Yongli Wang ◽  
Xinglong Tao

2020 ◽  
Vol 138 ◽  
pp. 109245 ◽  
Author(s):  
Yingxin Guan ◽  
Guangfu Luo ◽  
Dane Morgan ◽  
Susan E. Babcock ◽  
Thomas F. Kuech

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