Ordering in binary FCC alloys II. Many body interactions

1985 ◽  
Vol 133 (1-2) ◽  
pp. 138-151 ◽  
Author(s):  
J.M. Bell
Keyword(s):  
Many Body ◽  
Fcc Alloys ◽  
Many Body Interactions

Coexisting Ordering and Phase Separation in Binary Fcc Alloys

1982 ◽  
Vol 21 ◽  
Author(s):  
P.L. Rossiter ◽  
P.J. Lawrence
Keyword(s):  
Miscibility Gap ◽  
Nearest Neighbour ◽  
Many Body ◽  
Range Interaction ◽  
Slow Cooling ◽  
Pairwise Interactions ◽  
Fcc Alloys ◽  
Many Body Interactions ◽  
Comparable Magnitude

ABSTRACTConsideration of only nearest neighbour pairwise interactions Vij in a binary alloy leads to the classification of the system as ordering (unlike near neighbours) or clustering (like near neighbours), depending upon the sign of Vij However, this simple classification loses meaning when multi-atom correlations, many-body interactions or a longer range interaction are considered. For example, the first nearest neighbour interaction may favour ordering while the second, which may be of comparable magnitude, may favour clustering. By extending the Bragg-Williams model to include second near-neighbour interactions in fcc alloys, it is shown that a miscibility gap may form in the region of the orderdisorder solvus, leading to a complicated sequence of atomicrearrangement upon slow cooling. Despite the well-known failings of the point approximation when applied to fcc alloys, the results are shown to be consistent with the unusual behaviour exhibited by some systems.

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

Revealing the many-body interactions and valley-polarization behavior in Re-doped MoS2 monolayers

2021 ◽  
Vol 118 (11) ◽  
pp. 113101
Author(s):  
Xiaoli Zhu ◽  
Siting Ding ◽  
Lihui Li ◽  
Ying Jiang ◽  
Biyuan Zheng ◽  
...  
Keyword(s):  
Many Body ◽  
Polarization Behavior ◽  
Valley Polarization ◽  
Mos2 Monolayers ◽  
The Many ◽  
Many Body Interactions

scholarly journals Energy band and spin-dependent many-body interactions in ferromagnetic Ni(110): A high-resolution angle-resolved photoemission study

2005 ◽  
Vol 72 (21) ◽  
Author(s):  
Mitsuharu Higashiguchi ◽  
Kenya Shimada ◽  
Keisuke Nishiura ◽  
Xiaoyu Cui ◽  
Hirofumi Namatame ◽  
...  
Keyword(s):  
High Resolution ◽  
Energy Band ◽  
Many Body ◽  
Photoemission Study ◽  
Many Body Interactions

scholarly journals Atomic-state-dependent screening model for hot and warm dense plasmas

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Fuyang Zhou ◽  
Yizhi Qu ◽  
Junwen Gao ◽  
Yulong Ma ◽  
Yong Wu ◽  
...  
Keyword(s):  
Radiation Transport ◽  
Atomic State ◽  
Many Body ◽  
Dense Plasmas ◽  
Screening Model ◽  
State Dependent ◽  
Recombination Processes ◽  
Three Body ◽  
Many Body Interactions ◽  
Body Recombination

AbstractAn ion embedded in warm/hot dense plasmas will greatly alter its microscopic structure and dynamics, as well as the macroscopic radiation transport properties of the plasmas, due to complicated many-body interactions with surrounding particles. Accurate theoretically modeling of such kind of quantum many-body interactions is essential but very challenging. In this work, we propose an atomic-state-dependent screening model for treating the plasmas with a wide range of temperatures and densities, in which the contributions of three-body recombination processes are included. We show that the electron distributions around an ion are strongly correlated with the ionic state studied due to the contributions of three-body recombination processes. The feasibility and validation of the proposed model are demonstrated by reproducing the experimental result of the line-shift of hot-dense plasmas as well as the classical molecular dynamic simulations of moderately coupled ultra-cold neutral plasmas. Our work opens a promising way to treat the screening effect of hot and warm dense plasma, which is a bottleneck of those extensive studies in high-energy-density physics, such as atomic processes in plasma, plasma spectra and radiation transport properties, among others.

Dislocation Generation and Crack Propagation in Metals Examined in Molecular Dynamics Simulations

1992 ◽  
Vol 278 ◽  
Author(s):  
J. A. Rifkin ◽  
C. S. Becquart ◽  
D. Kim ◽  
P. C. Clapp
Keyword(s):  
Crack Propagation ◽  
Atomistic Simulations ◽  
Many Body ◽  
Dislocation Generation ◽  
Embedded Atom ◽  
Stress Levels ◽  
Different Temperatures ◽  
The Many ◽  
Dynamics Simulations ◽  
Many Body Interactions

AbstractWe have carried out a series of atomistic simulations on arrays of about 10,000 atoms containing an atomically sharp crack and subjected to increasing stress levels. The ordered stoichiometric alloys B2 NiAl, B2 RuAl and A15 Nb3AI have been studied at different temperatures and stress levels, as well as the elements Al, Ni, Nb and Ru. The many body interactions used in the simulations were derived semi-empirically, using techniques related to the Embedded Atom Method. Trends in dislocation generation rates and crack propagation modes will be discussed and compared to experimental indications where possible, and some of the simulations will be demonstrated in the form of computer movies.

scholarly journals Layer-resolved many-electron interactions in delafossite PdCoO2 from standing-wave photoemission spectroscopy

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Qiyang Lu ◽  
Henrique Martins ◽  
Juhan Matthias Kahk ◽  
Gaurab Rimal ◽  
Seongshik Oh ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Standing Wave ◽  
Three Dimensional ◽  
Photoemission Spectroscopy ◽  
Electronic Coupling ◽  
Many Body ◽  
X Ray ◽  
Charge Transfer Excitons ◽  
Many Body Interactions ◽  
Electron Interactions

AbstractWhen a three-dimensional material is constructed by stacking different two-dimensional layers into an ordered structure, new and unique physical properties can emerge. An example is the delafossite PdCoO2, which consists of alternating layers of metallic Pd and Mott-insulating CoO2 sheets. To understand the nature of the electronic coupling between the layers that gives rise to the unique properties of PdCoO2, we revealed its layer-resolved electronic structure combining standing-wave X-ray photoemission spectroscopy and ab initio many-body calculations. Experimentally, we have decomposed the measured VB spectrum into contributions from Pd and CoO2 layers. Computationally, we find that many-body interactions in Pd and CoO2 layers are highly different. Holes in the CoO2 layer interact strongly with charge-transfer excitons in the same layer, whereas holes in the Pd layer couple to plasmons in the Pd layer. Interestingly, we find that holes in states hybridized across both layers couple to both types of excitations (charge-transfer excitons or plasmons), with the intensity of photoemission satellites being proportional to the projection of the state onto a given layer. This establishes satellites as a sensitive probe for inter-layer hybridization. These findings pave the way towards a better understanding of complex many-electron interactions in layered quantum materials.

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