Next generation of the self-consistent and environment-dependent Hamiltonian: Applications to various boron allotropes from zero- to three-dimensional structures

2015 ◽  
Vol 142 (12) ◽  
pp. 124106 ◽  
Author(s):  
P. Tandy ◽  
Ming Yu ◽  
C. Leahy ◽  
C. S. Jayanthi ◽  
S. Y. Wu
2008 ◽  
Vol 8 (12) ◽  
pp. 6208-6222 ◽  
Author(s):  
Changzheng Wu ◽  
Yi Xie

Large-scale synthesis and assembly of meso-, micro- and nanostructured building blocks with the desired orientations are of great interest for the next-generation nanoarchitecture design. On the consideration that the traditional synthetic methodologies for nanostructures often produce tangled nanounits, how to align the nanounits into the ordered orientation at high production yield is a great challenge to current methods. The present review describes a facile and controllable way to grow and assemble the 3D hollow nanoarchitectures, with the utilization of the synergic effects of hollowing process from the self-produced templates and the highly anisotropic growth of nanounits of the target materials in one-pot reaction. In this process, the building block nanounits spontaneously in-situ form owing to their highly anisotropic internal structure, while the self-produced templates act as the supporter and growth-direction guidance for the in-situ formed nanounits. Therefore, the whole assembly process is simple, controllable and without the complicated manipulations. Herein, in the light of the different kinds of self-produced templates involved in the assembly process, recent developments based on the new synergic-assembly strategy are reviewed according to the classifications: (1) self-produced gas bubble template strategy; (2) self-produced homogeneous solid template strategy; (3) self-produced heterogeneous solid template strategy. Notably, the synergic-assembly methodology described in this review provides a newly essential way to construct and assemble nanoarchitectures facilely and controllably, and is also a crucial step for the next-generation of nanoarchitecture design in the near future. In conclusion, the challenges and prospects for the future are discussed.


2020 ◽  
Vol 501 (1) ◽  
pp. 564-575
Author(s):  
M I Gornostaev

ABSTRACT The paper presents the results of three-dimensional (3D) modelling of the structure and the emission of accretion columns formed above the surface of accreting strongly magnetized neutron stars under the circumstances when a pressure of the photons generated in the column base is enough to determine the dynamics of the plasma flow. On the foundation of numerical radiation hydrodynamic simulations, several 3D models of accretion column are constructed. The first group of the models contains spatially 3D columns. The corresponding calculations lead to the distributions of the radiation flux over the sidewalls of the columns which are not characterized by axial symmetry. The second group includes the self-consistent modelling of spectral radiative transfer and two-dimensional spatial structure of the column, with both thermal and bulk Comptonization taken into account. The changes in the structure of the column and the shape of X-ray continuum are investigated depending on physical parameters of the model.


2015 ◽  
Vol 81 (6) ◽  
Author(s):  
Marina A. Boronina ◽  
Vitaly A. Vshivkov

We present a three-dimensional (3-D) particle-in-cell (PIC) model and parallel code for the self-consistent motion of charged ultrarelativistic beams (${\it\gamma}\sim 10^{3}{-}10^{5}$) in supercolliders. We use the 3-D set of Maxwell’s equations for the electromagnetic fields, and the Vlasov equation for the distribution function of the beam particles. The model incorporates automatically the longitudinal effects, which can play a significant role in the cases of super-high densities. We present numerical results for the dynamics of two focused ultrarelativistic beams with a size ratio 10:1:100. The results demonstrate high efficiency of the proposed computational methods and algorithms, which are applicable to a variety of problems in relativistic plasma physics.


Universe ◽  
2021 ◽  
Vol 7 (10) ◽  
pp. 371
Author(s):  
Yi Yang ◽  
Fang Shen

Three-dimensional (3-d) magnetohydrodynamics (MHD) modeling is a key method for studying the interplanetary solar wind. In this paper, we introduce a new 3-d MHD solar wind model driven by the self-consistent boundary condition obtained from multiple observations and the Artificial Neural Network (ANN) machine learning technique. At the inner boundary, the magnetic field is derived using the magnetogram and potential field source surface extrapolation; the electron density is derived from the polarized brightness (pB) observations, the velocity can be deduced by an ANN using both the magnetogram and pB observations, and the temperature is derived from the magnetic field and electron density by a self-consistent method. Then, the 3-d interplanetary solar wind from CR2057 to CR2062 is modeled by the new model with the self-consistent boundary conditions. The modeling results present various observational characteristics at different latitudes, and are in better agreement with both the OMNI and Ulysses observations compared to our previous MHD model based only on photospheric magnetic field observations.


2016 ◽  
Vol 73 (12) ◽  
pp. 4911-4925 ◽  
Author(s):  
Zhaoxia Pu ◽  
Shixuan Zhang ◽  
Mingjing Tong ◽  
Vijay Tallapragada

Abstract An initial vortex spindown, or strong adjustment to the structure and intensity of a hurricane’s initial vortex, presents a significant problem in hurricane forecasting, as with the NCEP Hurricane Weather Research and Forecasting Model (HWRF), because it can cause significantly degraded intensity forecasts. In this study, the influence of the self-consistent regional ensemble background error covariance on assimilating hurricane inner-core tail Doppler radar (TDR) observations in HWRF is examined with the NCEP gridpoint statistical interpolation (GSI)-based ensemble–three-dimensional variational (3DVAR) hybrid data assimilation system. It is found that the resolution of the background error covariance term, coming from the ensemble forecasts, has notable influence on the assimilation of hurricane inner-core observations and subsequent forecasting results. Specifically, the use of ensemble forecasting at high-resolution native grids results in significant reduction of the vortex spindown problem and thus leads to improved hurricane intensity forecasting. Further diagnoses are conducted to examine the spindown problem with a gradient wind balance. It is found that artificial vortex initialization, performed before data assimilation, can cause strong supergradient winds or imbalance in the vortex inner-core region. Assimilation of hurricane inner-core TDR data can significantly mitigate this imbalance by reducing the supergradient effects. Compared with the use of a global ensemble background error term, application of the self-consistent regional ensemble background covariance to inner-core data assimilation leads to better representation of the mesoscale hurricane inner-core structures. It can also result in more realistic vortex structures in data assimilation even when the observational data are unevenly distributed.


MRS Advances ◽  
2020 ◽  
Vol 5 (64) ◽  
pp. 3507-3520
Author(s):  
Chunhui Dai ◽  
Kriti Agarwal ◽  
Jeong-Hyun Cho

AbstractNanoscale self-assembly, as a technique to transform two-dimensional (2D) planar patterns into three-dimensional (3D) nanoscale architectures, has achieved tremendous success in the past decade. However, an assembly process at nanoscale is easily affected by small unavoidable variations in sample conditions and reaction environment, resulting in a low yield. Recently, in-situ monitored self-assembly based on ion and electron irradiation has stood out as a promising candidate to overcome this limitation. The usage of ion and electron beam allows stress generation and real-time observation simultaneously, which significantly enhances the controllability of self-assembly. This enables the realization of various complex 3D nanostructures with a high yield. The additional dimension of the self-assembled 3D nanostructures opens the possibility to explore novel properties that cannot be demonstrated in 2D planar patterns. Here, we present a rapid review on the recent achievements and challenges in nanoscale self-assembly using electron and ion beam techniques, followed by a discussion of the novel optical properties achieved in the self-assembled 3D nanostructures.


2020 ◽  
Vol 29 (4) ◽  
pp. 741-757
Author(s):  
Kateryna Hazdiuk ◽  
◽  
Volodymyr Zhikharevich ◽  
Serhiy Ostapov ◽  
◽  
...  

This paper deals with the issue of model construction of the self-regeneration and self-replication processes using movable cellular automata (MCAs). The rules of cellular automaton (CA) interactions are found according to the concept of equilibrium neighborhood. The method is implemented by establishing these rules between different types of cellular automata (CAs). Several models for two- and three-dimensional cases are described, which depict both stable and unstable structures. As a result, computer models imitating such natural phenomena as self-replication and self-regeneration are obtained and graphically presented.


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