scholarly journals Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo

2016 ◽  
Vol 145 (6) ◽  
pp. 064501 ◽  
Author(s):  
Sam Azadi ◽  
R. E. Cohen
Keyword(s):  
Phase Diagram ◽  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Low Pressure ◽  
Crystalline Benzene ◽  
Pressure Phase

scholarly journals Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures

2015 ◽  
Vol 6 (1) ◽  
Author(s):  
N. D. Drummond ◽  
Bartomeu Monserrat ◽  
Jonathan H. Lloyd-Williams ◽  
P. López Ríos ◽  
Chris J. Pickard ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Molecular Hydrogen ◽  
Monte Carlo Study

ELECTRONICALLY DRIVEN FERROELECTRICITY IN THE EXTENDED FALICOV-KIMBALL MODEL

2005 ◽  
Vol 19 (01n03) ◽  
pp. 525-527
Author(s):  
J. BONČA ◽  
C. D. BATISTA ◽  
J. E. GUBERNATIS ◽  
H. Q. LIN
Keyword(s):  
Phase Diagram ◽  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Mixed Valence ◽  
Electric Polarization ◽  
Monte Carlo Technique ◽  
Einstein Condensation ◽  
Intermediate Coupling ◽  
Bose Einstein Condensation ◽  
Bose Einstein

We calculate the quantum phase diagram of an extended Falicov-Kimball model in the intermediate coupling regime using a constrained path quantum Monte Carlo technique. The mixed-valence regime is dominated by a Bose-Einstein condensation of excitons with a built-in electric polarization.

scholarly journals Low pressure phase diagram of CeCoGe3

2011 ◽  
Vol 273 ◽  
pp. 012009 ◽  
Author(s):  
Masakazu Mizoo ◽  
Takashi Nishioka ◽  
Harukazu Kato ◽  
Masahiro Matsumura
Keyword(s):  
Phase Diagram ◽  
Low Pressure ◽  
Pressure Phase

scholarly journals Simulation of phase transitions and strength evolution in quartzite in shock experiments

2021 ◽  
Vol 250 ◽  
pp. 02030
Author(s):  
Mikhail Kovalenko ◽  
Denis Shalkovsky ◽  
Aleksandr Petrovtsev ◽  
Aleksandr Pavlenko ◽  
Svetlana Malyugina ◽  
...  
Keyword(s):  
Phase Diagram ◽  
High Pressure ◽  
Phase Transitions ◽  
Low Pressure ◽  
Basic Rock ◽  
Transition Time ◽  
Stability Regions ◽  
Strength Evolution ◽  
Mass Fractions ◽  
Pressure Phase

Quartzite is a basic rock constituent. It has a complicated phase diagram where besides a low-pressure phase (α-quartz), two high-pressure solid ones are present – coesite and stishovite. Also present are the hightemperature cristobalite and tridymite phases with very small stability regions. In shock experiments, the transition to coesite almost never realizes and the transition from α-quartz to stishovite proceeds in a strongly nonequilibrium regime characterized by metastability and a long transition time. Quartzite is polycrystalline quartz with small amounts of impurities. The paper describes experiments with samples of Pervouralsk quartzite with mass fractions of SiO2 above 96%.

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