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1.
《Physics letters. A》2014,378(38-39):2894-2899
2.
The ground-state properties of a system with a small number of interacting bosons
over a wide range of densities are investigated. The system is confined in a
two-dimensional isotropic harmonic trap, where the interaction between bosons is
treated as a hard-core potential. By using variational Monte Carlo method, we
diagonalize the one-body density matrix of the system to obtain the ground-state
energy, condensate wavefunction and the condensate fraction. We find that in the
dilute limit the depletion of central condensate in the 2D system is larger than in
a 3D system for the same interaction strength; however as the density increases, the
depletion at the centre of 2D trap will be equal to or even lower than that at the
centre of 3D trap, which is in agreement with the anticipated in Thomas--Fermi
approximation. In addition, in the 2D system the total condensate depletion is still
larger than in a 3D system for the same scattering length. 相似文献
3.
Monte Carlo simulations of biaxial structure in thin hybrid nematic film based upon spatially anisotropic pair potential 下载免费PDF全文
Hybrid nematic films have been studied by Monte Carlo simulations
using a lattice spin model, in which the pair potential is spatially
anisotropic and dependent on elastic constants of liquid crystals.
We confirm in the thin hybrid nematic film the existence of a
biaxially nonbent structure and the structure transition from the
biaxial to the bent-director structure, which is similar to the
result obtained using the Lebwohl--Lasher model. However, the
step-like director's profile, characteristic for the biaxial
structure, is spatially asymmetric in the film because the pair
potential leads to K1 ≠ K3. We estimate the upper cell
thickness to be 69 spin layers, in which the biaxial structure can
be found. 相似文献
4.
基于分子两体势,用Monte Carlo方法计算向列相液晶微滴.两体势基于格点模型,是空间各向异性的且依赖于液晶的弹性常数.假定向列相液晶微滴具有自由表面,引入切向内禀强度定量描写表面引发的分子内禀易取向的强弱.通过各向异性势的两种方案,在低温下计算切向内禀强度和二阶序参数在微滴内不同区域的变化,与Lebwohl-Lasher模型作对比分析.结果表明:只有一种方案在微滴表面产生内禀易取向,且内禀强度值的大小与K33/K11值有关;空间不完整的向列相液晶使得微滴由内层到外层有序度越来越低. 相似文献
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双轴向列相液晶的Monte Carlo模拟 总被引:1,自引:0,他引:1
利用Monte Carlo方法模拟棒状液晶分子随温度变化的相变行为,采用热力学统计方法得到能量与温度的关系,得出比热随温度的变化规律,通过图像的峰值确定相变点;重点模拟计算序参数矩阵元与温度的关系,得到不同分子结构参数下液晶系统的温度相图,模拟结果显示,当两个短棒长度相等时,不存在双轴相. 相似文献
7.
We present a Markov-chain Monte Carlo algorithm of worm type that correctly simulates the O(n) loop model on any (finite and connected) bipartite cubic graph, for any real n>0, and any edge weight, including the fully-packed limit of infinite edge weight. Furthermore, we prove rigorously that the algorithm is ergodic and has the correct stationary distribution. We emphasize that by using known exact mappings when n=2, this algorithm can be used to simulate a number of zero-temperature Potts antiferromagnets for which the Wang–Swendsen–Kotecký cluster algorithm is non-ergodic, including the 3-state model on the kagome lattice and the 4-state model on the triangular lattice. We then use this worm algorithm to perform a systematic study of the honeycomb-lattice loop model as a function of n?2, on the critical line and in the densely-packed and fully-packed phases. By comparing our numerical results with Coulomb gas theory, we identify a set of exact expressions for scaling exponents governing some fundamental geometric and dynamic observables. In particular, we show that for all n?2, the scaling of a certain return time in the worm dynamics is governed by the magnetic dimension of the loop model, thus providing a concrete dynamical interpretation of this exponent. The case n>2 is also considered, and we confirm the existence of a phase transition in the 3-state Potts universality class that was recently observed via numerical transfer matrix calculations. 相似文献
8.
Weilun Jiang 《中国物理 B》2022,31(4):40504-040504
We systematically test the performance of several Monte Carlo update schemes for the (2+1)d XY phase transition of quantum rotor model. By comparing the local Metropolis (LM), LM plus over-relaxation (OR), Wolff-cluster (WC), hybrid Monte Carlo (HM), hybrid Monte Carlo with Fourier acceleration (FA) schemes, it is clear that among the five different update schemes, at the quantum critical point, the WC and FA schemes acquire the smallest autocorrelation time and cost the least amount of CPU hours in achieving the same level of relative error, and FA enjoys a further advantage of easily implementable for more complicated interactions such as the long-range ones. These results bestow one with the necessary knowledge of extending the quantum rotor model, which plays the role of ferromagnetic/antiferromagnetic critical bosons or Z2 topological order, to more realistic and yet challenging models such as Fermi surface Yukawa-coupled to quantum rotor models. 相似文献
9.
基于Gruhn-Hess两体势修正模型,用Monte Carlo方法模拟向列相液晶微滴.Gruhn-Hess两体势是空间各向异性的,修正模型的势参数依赖于液晶的弹性常数K11、K22、K33及表面弹性常数K13.假设向列相液晶微滴具有自由表面,在低温下计算分子二阶序参数和切向内禀强度在微滴内不同区域的变化,并与Gruhn-Hess两体势模型一作对比分析.结果表明:附加K13项的修正模型在微滴表面产生内禀锚定,其大小决定了内禀易取向方向及内禀锚定强度的大小,且内禀强度的大小与K33/K11值有关;空间不完整的向列相液晶微滴由内层到外层有序度逐渐降低. 相似文献
10.
11.
We have used the Monte Carlo simulation to study the phase diagrams and the magnetic properties of a single nano-graphene layer with next-nearest neighbors coupling and four-spin interaction . Interesting behaviors have been found. In particular, the nanographene can present tricritical and triple points for appropriate system parameters. 相似文献
12.
By means of Monte Carlo simulation, a study of enantioseparation by capillary electrophoresis has been carried out. A simplified system consisting of two enantiomers S (R) and a selector chiral C, which reacts with the enantiomers to form complexes RC (SC), has been considered. The dependence of Δμ (enantioseparation) with the concentration of chiral selector and with temperature have been analyzed by simulation. The effect of the binding constant and the charge of the complexes are also analyzed. The results are qualitatively satisfactory, despite the simplicity of the model. 相似文献
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As a model for a binary alloy undergoing an unmixing phase transition, we consider a square lattice where each site can be either taken by an A atom, a B atom, or a vacancy (V), and there exists a repulsive interaction between AB nearest neighbor pairs. Starting from a random initial configuration, unmixing proceeds via random jumps of A atoms or B atoms to nearest neighbor vacant sites. In the absence of any interaction, these jumps occur at jump rates
A and
B, respectively. For a small concentration of vacancies (c
v=0.04) the dynamics of the structure factorS(k,t) and its first two momentsk
1(t),k
2
2
(t) is studied during the early stages of phase separation, for several choices of concentrationc
B of B atoms. Forc
B=0.18 also the time evolution of the cluster size distribution is studied. Apart from very early times, the mean cluster sizel(t) as well as the moments of the structure function depend on timet and the ratio of the jump rates (=
B/
A) only via a scaled timet/(). Qualitatively, the behavior is very similar to the direct exchange model containing no vacancies. Consequences for phase separation of real alloys are briefly discussed. 相似文献
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16.
Hans -Otto Heuer 《Journal of statistical physics》1993,72(3-4):789-827
Extensive Monte Carlo simulations have been performed to analyze the dynamical behavior of the three-dimensional Ising model with local dynamics. We have studied the equilibrium correlation functions and the power spectral densities of odd and even observables. The exponential relaxation times have been calculated in the asymptotic one-exponential time region. We find that the critical exponentz=2.09 ±0.02 characterizes the algebraic divergence with lattice size for all observables. The influence of scaling corrections has been analyzed. We have determined integrated relaxation times as well. Their dynamical exponentz
int agrees withz for correlations of the magnetization and its absolute value, but it is different for energy correlations. We have applied a scaling method to analyze the behavior of the correlation functions. This method verifies excellent scaling behavior and yields a dynamical exponentz
scal which perfectly agrees withz. 相似文献
17.
利用Monte Carlo (MC)模拟技术研究了非均一的吸附原子与基底相互作用能在一定的生长条件下对超薄膜生长过程的影响.非均一相互作用能是由基底表面原子在垂直和水平方向上实际位置与理想晶格原子位置的偏差所造成.本文用高斯分布来表示这种非均一相互作用能.模拟结果表明:非均一相互作用能对超薄膜的生长过程及薄膜的形貌有显著的影响.这种影响同时受到生长条件的限制,在中等温度时相互作用能的非均一性对岛的个数、平均大小的影响最显著;温度的增加在一定程度上可抵御相互作用能的非均一性对薄膜生长的影响.
关键词:
薄膜生长
Monte Carlo 模拟
相互作用能 相似文献
18.
Michael Betancourt 《Annalen der Physik》2019,531(3)
From its inception in the 1950s to the modern frontiers of applied statistics, Markov chain Monte Carlo has been one of the most ubiquitous and successful methods in statistical computing. The development of the method in that time has been fueled by not only increasingly difficult problems but also novel techniques adopted from physics. Here, the history of Markov chain Monte Carlo is reviewed from its inception with the Metropolis method to the contemporary state‐of‐the‐art in Hamiltonian Monte Carlo, focusing on the evolving interplay between the statistical and physical perspectives of the method. 相似文献
19.
Monte Carlo Simulation (MCS) has been used to study critical and compensation behavior of a ferrimagnetic superlattice on a simple cubic lattice. The superlattice consists of k unit cells, where the unit cell contains L layers of spin −1/2 A atoms, L layers of spin −1 B atoms and a disordered interface in between that is characterized by a random arrangement of A and B atoms of ApB1−p type and a negative A-B coupling. We investigate the finite and the infinite superlattices and we found that the existence and the number of the compensation points depend strongly on the thickness of the superlattice (number of unit cells). 相似文献
20.
For molecular simulations with thousands of atoms it is desirable to use a lattice gas model because it is fast and easy-to-use for computations. Unfortunately, simulation of adsorption on heterogeneous surfaces within this model is rather complicated due to a large variety of available adsorption site types. We propose the combined model with lattice representation of adsorbent atoms and arbitrary location of adsorbate atoms. Using this model simulation of CO adsorption on supported Pt nanoparticles has been performed. With the proposed approach the above-mentioned difficulties were successfully overcome. 相似文献