High Pressure Equations of State: Theory and Applications

Author(s):  
Marvin Ross
1986 ◽  
Vol 33 (6) ◽  
pp. 4221-4226 ◽  
Author(s):  
Samuel T. Weir ◽  
Yogesh K. Vohra ◽  
Arthur L. Ruoff

2021 ◽  
Vol 11 (8) ◽  
pp. 1269-1287
Author(s):  
Xiangyu Huo ◽  
Li Zhang ◽  
Mingli Yang

Energetic materials (EMs) are one of the necessities in many military and civilian applications. Measuring the thermodynamic behaviors of detonation products of EMs at high temperature and high pressure, their equations of state (EOSs) not only serve as a basis in the design of novel materials, but also provide valuable information for their practical applications. The EOS study has a long history, but keeps moving all the time. Various EMs have been developed, the EOS of detonation products provides abundant information in the thermochemistry, hydromechanics and detonation physics, which in turn feedbacks the development of novel EMs and their EOSs. With the development of experimental techniques and computer simulations, many EOSs have been proposed for various explosives in recent years. While experiments keep their fundamental roles, integrated theory-experiment study has become the main approach to the EOS establishment for novel EMs. Moreover, computer simulations based on interatomic and/or intermolecular interaction will have great potential in the future when big data and artificial intelligence are introduced into the field.


Author(s):  
V. Kanchana ◽  
G. Vaitheeswaran ◽  
A. Svane ◽  
S. Heathman ◽  
L. Gerward ◽  
...  

The high-pressure structural behaviour of a series of binary thorium compounds ThX(X= C, N, P, As, Sb, Bi, S, Se, Te) is studied using the all-electron full potential linear muffin-tin orbital (FP-LMTO) method within the generalized gradient approximation (GGA) for the exchange and correlation potential. The calculated equlibrium lattice parameters and bulk moduli, as well as the equations of state agree well with experimental results. New experiments are reported for ThBi and ThN. Calculations are performed for the ThXcompounds in the NaCl- and CsCl-type crystal structures, and structural phase transitions from NaCl to CsCl are found in ThP, ThAs, ThSb and ThSe at pressures of 26.1, 22.1, 8.1 and 23.2 GPa, respectively, in excellent agreement with experimental results. ThC, ThN and ThS are found to be stable in the NaCl structure, and ThBi and ThTe in the CsCl structure, for pressures below 50 GPa. The electronic structures of the ThXcompounds are studied using the quasiparticle self-consistentGWmethod (G: Green function,W: dynamically screened interaction).


2000 ◽  
Vol 9 (9) ◽  
pp. 676-679 ◽  
Author(s):  
Bao Zhong-xing ◽  
V H Schmidt ◽  
N S Dalal ◽  
C S Tu ◽  
N J Pinto ◽  
...  

2018 ◽  
Vol 38 (2) ◽  
pp. 107-119 ◽  
Author(s):  
Takeshi Sakai ◽  
Takehiko Yagi ◽  
Tetsuo Irifune ◽  
Hirokazu Kadobayashi ◽  
Naohisa Hirao ◽  
...  

Author(s):  
Takehiko Yagii ◽  
Masaki Akaogi ◽  
Osamu Shimomurad ◽  
Hiroshi Tamai ◽  
Syun-iti Akimoto

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