scholarly journals Many-body interactions between ions in LiH crystal and its equation of state under high pressure

2008 ◽  
Vol 57 (7) ◽  
pp. 4412
Author(s):  
Jiang Li-Hua ◽  
Liu Fu-Sheng ◽  
Tian Chun-Ling
Keyword(s):  
High Pressure ◽  
Equation Of State ◽  
Many Body ◽  
Many Body Interactions

scholarly journals PHASE TRANSITION OF PRASEODYMIUM MONO-PNICTIDES UNDER HIGH PRESSURE

2013 ◽  
Vol 22 ◽  
pp. 491-496
Author(s):  
DINESH CHANDRA GUPTA ◽  
GAJENDRA SINGH RAYPURIA
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Relative Volume ◽  
Many Body ◽  
Rare Earth Atom ◽  
Phase Transition Pressure ◽  
Volume Collapse ◽  
Cscl Type ◽  
Nearest Neighbours ◽  
Many Body Interactions

The Phase transition and elastic properties of Praseodymium-monopnictides have been investigated under pressure by means of a modified charge-transfer potential model which incorporates the Coulomb screening due to the delocalization of f-electron of rare-earth atom leading to many-body interactions, along with Coulomb interaction, covalency effect and overlap repulsion extended up to second-nearest neighbours. These compunds undergo transition from NaCl structure to high pressure body-centered tetragonal (BCT) structure (distorted CsCl-type P4/mmm). The calculated values of cohesive energy, lattice constant, phase transition pressure, relative volume collapse. Present model explains the Cauchy’s discrepancy correctly.

MANY-BODY INTERACTIONS AMONG HELIUM ATOMS AND EQUATION OF STATE OF DENSE HELIUM AT HIGH DENSITIES AND TEMPERATURES

2005 ◽  
Vol 19 (15n17) ◽  
pp. 2475-2480
Author(s):  
FUSHENG LIU ◽  
CHUNLING TIAN ◽  
LINGCANG CAI ◽  
FUQIAN JING
Keyword(s):  
Equation Of State ◽  
Cluster Method ◽  
Pressure Measurements ◽  
Many Body ◽  
Helium Atoms ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Body Potential ◽  
Many Body Interactions

Based on ab initio self-consistent-field technique and atomic cluster method, the various many-body interactions among atoms in dense helium have been computed. By this way, the static high pressure measurements are perfectly explained. A new simple formula for calculation the total energy is proposed by directly combining the two-body potential with the atomic potential. Over a large volume and temperature range of 7.5~1.74 cm3/mol and 2000~21000K, the equation of state (EOS) of helium is given.

Implications of many-body forces for equations of state at high pressure

1992 ◽  
Vol 339 (1654) ◽  
pp. 395-402 ◽  
Keyword(s):  
High Pressure ◽  
Equations Of State ◽  
Closed Shell ◽  
Molecular Orbital Calculations ◽  
Many Body ◽  
Detonation Products ◽  
Body Forces ◽  
Three Body ◽  
Body Potential ◽  
Many Body Interactions

In this paper we review our recent work concerned with assessing the significance of many-body forces for short-range interactions of closed shell atoms and molecules. Ab initio molecular orbital calculations (of the supermolecule type) have been carried out to determine three-body potentials for the following species: He, Ne, H 2 , N 2 , CO and CO 2 . For He, Ne, H 2 and N 2 we have also carried out calculations of the four-body potential for a limited number of orientations. These studies show that, for all these species, there are significant deviations from pair-wise additivity at short separations. The effect of these many-body interactions on the equation of state for dense fluids (such as detonation products) is being investigated by Monte Carlo simulation, and recent results for high-pressure helium are described.

Data-Driven Many-Body Models with Chemical Accuracy for CH4/H2O Mixtures

2020 ◽  
Author(s):  
Marc Riera ◽  
Alan Hirales ◽  
Raja Ghosh ◽  
Francesco Paesani
Keyword(s):  
Liquid Phase ◽  
Quantitative Description ◽  
Liquid Mixtures ◽  
Many Body ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Dynamics Simulations ◽  
Body Potential ◽  
Small Clusters ◽  
Many Body Interactions

<div> <div> <div> <p>Many-body potential energy functions (PEFs) based on the TTM-nrg and MB-nrg theoretical/computational frameworks are developed from coupled cluster reference data for neat methane and mixed methane/water systems. It is shown that that the MB-nrg PEFs achieve subchemical accuracy in the representation of individual many-body effects in small clusters and enables predictive simulations from the gas to the liquid phase. Analysis of structural properties calculated from molecular dynamics simulations of liquid methane and methane/water mixtures using both TTM-nrg and MB-nrg PEFs indicates that, while accounting for polarization effects is important for a correct description of many-body interactions in the liquid phase, an accurate representation of short-range interactions, as provided by the MB-nrg PEFs, is necessary for a quantitative description of the local solvation structure in liquid mixtures. </p> </div> </div> </div>

Localization and many-body interactions in the quantum Hall effect determined by polarized optical emission

1991 ◽  
Vol 44 (8) ◽  
pp. 4006-4009 ◽  
Author(s):  
B. B. Goldberg ◽  
D. Heiman ◽  
M. Dahl ◽  
A. Pinczuk ◽  
L. Pfeiffer ◽  
...  
Keyword(s):  
Hall Effect ◽  
Quantum Hall Effect ◽  
Quantum Hall ◽  
Optical Emission ◽  
Many Body ◽  
Many Body Interactions
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