Diffusion and phase diagram of an electron-hole bilayer: A molecular dynamics study

2007 ◽  
Vol 75 (15) ◽  
Author(s):  
S. Ranganathan ◽  
R. E. Johnson
Keyword(s):  
Molecular Dynamics ◽  
Phase Diagram ◽  
Electron Hole

Molecular dynamics studies of electron-hole bilayers

2000 ◽  
Vol 10 (PR5) ◽  
pp. Pr5-355-Pr5-358 ◽  
Author(s):  
Z. Donkó ◽  
G. J. Kalman
Keyword(s):  
Molecular Dynamics ◽  
Electron Hole

Phase diagram for electron-hole droplets

1975 ◽  
Vol 51 (8) ◽  
pp. 473-474 ◽  
Author(s):  
M. Droz ◽  
M. Combescot
Keyword(s):  
Phase Diagram ◽  
Electron Hole

Estimation of the Chemical Potential and the Activity of NaCl in Molten DyCl3-NaCl by Molecular Dynamics Simulation

1998 ◽  
Vol 53 (8) ◽  
pp. 655-658
Author(s):  
Masanori Sakurai ◽  
Ryuzo Takagi ◽  
Ashok K. Adyaa ◽  
Marcelle Gaune-Escard
Keyword(s):  
Molecular Dynamics ◽  
Phase Diagram ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Chemical Potential ◽  
Dynamics Simulation ◽  
Dynamics Simulations ◽  
Positional Data ◽  
Liquidus Temperatures

Abstract Molecular dynamics simulations of molten DyCl3-NaCl were carried out at liquidus temperatures of the phase diagram. The chemical potential and the activity of NaCl was successfully estimated with the method proposed by Powles et al., which requires only positional data of the ions at the temperatures in question.

NOVEL ELECTRON GAS SYSTEMS

1999 ◽  
Vol 13 (05n06) ◽  
pp. 479-488 ◽  
Author(s):  
GAETANO SENATORE ◽  
F. RAPISARDA ◽  
S. CONTI
Keyword(s):  
Phase Diagram ◽  
Quantum Wells ◽  
Recent Progress ◽  
Electron Gas ◽  
Total Charge ◽  
Diffusion Monte Carlo ◽  
Electron Hole ◽  
Coupled Quantum Wells ◽  
Hartree Fock ◽  
The Ideal

We review recent progress on the physics of electrons in the bilayered electron gas, relevant to coupled quantum wells in GaAs/AlGaAs heterostructures. First, we focus on the phase diagram of a symmetric bilayer at T=B=0, obtained by diffusion Monte Carlo simulations. It is found that inter–layer correlations stabilize crystalline structures at intermediate inter–layer separation, while favouring a liquid phase at smaller distance. Also, the available DMC evidence is in contrast with the recently (Hartree–Fock) predicted total charge transfer (TCT), whereby all the electron spontaneously jump in one layer. In fact, one can show that such a TCT state is never stable in the ideal bilayer with no tunneling. We finally comment on ongoing DMC investigations on the electron-hole bilayer, where excitonic condensation is expected to take place.

scholarly journals Molecular dynamics simulation of α-unsubstituted oligo-thiophenes: dependence of their high-temperature liquid-crystalline phase behaviour on molecular length

2019 ◽  
Vol 7 (32) ◽  
pp. 9984-9995 ◽  
Author(s):  
Flora D. Tsourtou ◽  
Stavros D. Peroukidis ◽  
Vlasis G. Mavrantzas
Keyword(s):  
Molecular Dynamics ◽  
Phase Diagram ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Liquid Crystalline ◽  
Md Simulations ◽  
Phase Behaviour ◽  
Dynamics Simulation ◽  
Molecular Length ◽  
Temperature Liquid

Phase diagram of α-nT oligomers with n = 5–8 from the MD simulations.

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