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Chaos synchronization in a BEC system using fuzzy logic controller 模糊逻辑控制器在BEC系统中的混沌同步
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-10-03 DOI: 10.5488/CMP.25.33501
E. Tosyali, Y. Oniz, F. Aydogmus
Since the presence of chaos in Bose-Einstein condensate (BEC) systems plays a destructive role that can undermine the stability of the condensates, controlling the chaos is of great importance for the creation of the BEC. In this paper, a fuzzy logic controller (FLC) to synchronize the chaotic dynamics of two identical master-slave BEC systems has been proposed. Unlike the conventional approaches, where expert knowledge is directly used to construct the fuzzy rules and membership functions, the fuzzy rules have been constructed using Lyapunov stability theorem ensuring the synchronization process. The effectiveness of the proposed controller has been demonstrated numerically.
由于混沌在玻色-爱因斯坦凝聚体(BEC)系统中的存在具有破坏凝聚体稳定性的破坏性作用,因此控制混沌对于BEC的产生具有重要意义。本文提出了一种模糊逻辑控制器(FLC)来同步两个相同的主从BEC系统的混沌动力学。与传统方法直接使用专家知识来构造模糊规则和隶属函数不同,该方法采用Lyapunov稳定性定理来构造模糊规则,保证了同步过程。通过数值仿真验证了所提控制器的有效性。
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引用次数: 0
Effects of porous media on the phase behaviour of polypeptide solutions 多孔介质对多肽溶液相行为的影响
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-10-03 DOI: 10.5488/CMP.25.33602
V. Shmotolokha, M. Holovko
The generalized van der Waals equation for anisotropic fluids in porous media, proposed by the authors in previous works, is used to describe the effect of porous media on the phase behavior of polypeptide solutions. By introducing the temperature dependence for the depth of the potential well and the geometric parameters of the spherocylinder, the main features of phase behavior of the polypeptide poly (γ-benzyl-L-glutamate) (PBLG) in a solution of dimethylformamide, including the existence of two nematic phases, is reproduced. It is shown that the presence of a porous medium shifts the phase diagram to the region of lower densities and lower temperatures.
利用前人提出的多孔介质中各向异性流体的广义范德华方程来描述多孔介质对多肽溶液相行为的影响。通过引入势阱深度的温度依赖性和球柱的几何参数,再现了多肽聚γ-苄基- l-谷氨酸(PBLG)在二甲基甲酰胺溶液中的主要相行为特征,包括两个向列相的存在。结果表明,多孔介质的存在使相图向低密度和低温度区域偏移。
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引用次数: 0
A polymer-tethered particle confined in a slit 被聚合物束缚在狭缝中的粒子
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-10-03 DOI: 10.5488/CMP.25.33604
T. Staszewski, M. Borówko
Shape transformations of hairy nanoparticles under confinement are studied using molecular dynamic simulations. We discuss the behavior of these particles in slits with inert or attractive walls. We assume that only chain-wall interactions are attractive. The impact of the strength of interactions with the walls and the width of the slits on the particle configuration is shown. In the case of attractive surfaces, we found new structures in which the chains are connected with both walls and form bridges between them: pillars, symmetrical and asymmetrical spools, and hourglasses. In wide pores with strongly attractive walls, hairy particles adsorb on one of the surfaces and form "mounds" or starfish-like strucures.
采用分子动力学模拟方法研究了毛状纳米颗粒在约束条件下的形状变化。我们讨论了这些粒子在具有惰性或吸引壁的狭缝中的行为。我们假设只有链壁相互作用是有吸引力的。显示了与壁面相互作用强度和狭缝宽度对粒子构型的影响。在有吸引力的表面上,我们发现了新的结构,其中链与两面墙相连,并在它们之间形成桥梁:柱子、对称和不对称的线轴和沙漏。在具有强大吸引力壁的大孔隙中,毛状颗粒吸附在其中一个表面并形成“丘”或海星状结构。
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引用次数: 0
Ferromagnetic Heisenberg model with the Dzyaloshinskii-Moriya interaction 具有Dzyaloshinskii-Moriya相互作用的铁磁海森堡模型
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-10-03 DOI: 10.5488/CMP.25.33701
E. Albayrak
The spin-1/2 Heisenberg model is formulated in terms of a mean-field approximation (MFA) by using the matrix forms of spin operators Ŝx, Ŝy and Ŝz in three-dimensions. The considered Hamiltonian consists of bilinear exchange interaction parameters (Jx, Jy, Jz), Dzyaloshinskii-Moriya interactions (Δx, Δy, Δz) and external magnetic field components (Hx, Hy, Hz). The magnetization and its components are obtained in the MFA with the general anisotropic case with Jx ≠ Jy ≠ Jz for various values of coordination numbers q. Then, the thermal variations of magnetizations are investigated in detail to obtain the phase diagrams of the model for the isotropic case with Jx = Jy = Jz > 0. It is found that the model exhibits ferromagnetic, paramagnetic, random phase regions and an extra ferromagnetic phase at which the components of magnetizations present branching.
利用三维自旋算符Ŝx、Ŝy和Ŝz的矩阵形式,用平均场近似(MFA)表示了自旋-1/2海森堡模型。所考虑的哈密顿量由双线性交换相互作用参数(Jx, Jy, Jz), Dzyaloshinskii-Moriya相互作用(Δx, Δy, Δz)和外部磁场分量(Hx, Hy, Hz)组成。得到了Jx≠Jy≠Jz的各向异性情况下不同配位数q下MFA的磁化强度及其分量,并详细研究了各向异性情况下Jx = Jy = Jz > 0时模型磁化强度的热变化规律,得到了模型的相图。结果表明,该模型具有铁磁、顺磁、随机相区和一个额外的铁磁相区,其中磁化分量呈现分支。
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引用次数: 0
Phase diagrams of lattice models on Cayley tree and chandelier network: a review Cayley树和吊灯网络上晶格模型的相图:综述
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-10-02 DOI: 10.5488/CMP.25.32501
H. Akin
The main purpose of this review paper is to give systematically all the known results on phase diagrams corresponding to lattice models (Ising and Potts) on Cayley tree (or Bethe lattice) and chandelier networks. A detailed survey of various modelling applications of lattice models is reported. By using Vannimenus's approach, the recursive equations of Ising and Potts models associated to a given Hamiltonian on the Cayley tree are presented and analyzed. The corresponding phase diagrams with programming codes in different programming languages are plotted. To detect the phase transitions in the modulated phase, we investigate in detail the actual variation of the wave-vector q with temperature and the Lyapunov exponent associated with the trajectory of our current recursive system. We determine the transition between commensurate (C) and incommensurate (I) phases by means of the Lyapunov exponents, wave-vector, and strange attractor for a comprehensive comparison. We survey the dynamical behavior of the Ising model on the chandelier network. We examine the phase diagrams of the Ising model corresponding to a given Hamiltonian on a new type of "Cayley-tree-like lattice", such as triangular, rectangular, pentagonal chandelier networks (lattices). Moreover, several open problems are discussed.
本文的主要目的是系统地给出Cayley树(或Bethe晶格)和吊灯网络上对应于晶格模型(Ising和Potts)的相图的所有已知结果。本文详细介绍了晶格模型的各种建模应用。利用Vannimenus的方法,给出了与Cayley树上给定哈密顿量相关的Ising和Potts模型的递归方程,并对其进行了分析。用不同的编程语言绘制了相应的相图。为了检测调制相位中的相变,我们详细研究了波矢量q随温度的实际变化以及与当前递归系统轨迹相关的李雅普诺夫指数。我们通过李亚普诺夫指数,波矢量和奇异吸引子来确定相称(C)和不相称(I)相之间的转换,以便进行全面的比较。我们研究了伊辛模型在枝形吊灯网络上的动力学行为。我们研究了在一种新型的“Cayley-tree-like lattice”(如三角形、矩形、五边形枝形网络)上对应于给定哈密顿量的Ising模型的相图。此外,还讨论了几个悬而未决的问题。
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引用次数: 2
Revisiting the composition dependence of the properties of water-dimethyl sulfoxide liquid mixtures. Molecular dynamics computer simulations 重新考察水-二甲基亚砜液体混合物性质的组分依赖性。分子动力学计算机模拟
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-10-02 DOI: 10.5488/CMP.25.33202
M. Aguilar, H. Domínguez, O. Pizio
We have revisited the composition dependence of principal properties of liquid water-DMSO mixtures by using the isobaric-isothermal molecular dynamics computer simulations. A set of non-polarizable semi-flexible models for the DMSO molecule combined with the TIP4P-2005 and TIP4P/ε water models is considered. We restrict calculations to atmospheric pressure, 0.1013 MPa, and room temperature, 298.15 K. Composition trends of density, excess mixing volume and excess mixing enthalpy, partial molar volumes and partial molar enthalpies of species, apparent molar volumes are reported. Besides, we explore composition trends of the self-diffusion of species, the static dielectric constant and the surface tension. Evolution of the microscopic structure of the mixture with composition is analyzed in terms of radial distributions functions, coordination numbers and the fractions of hydrogen-bonded molecules. We intend to capture the peculiarities of mixing the species in the mixture upon the DMSO molar fraction and the anomalous behaviors, if manifested in each of the properties under study. The quality of several combinations of the models for species is evaluated in detail to establish the possibility of necessary improvements.
通过等压等温分子动力学计算机模拟,我们重新考察了液态水-二甲基亚砜混合物主要性质的组分依赖性。结合TIP4P-2005和TIP4P/ε水模型,考虑了DMSO分子的一套非极化半柔性模型。我们将计算限制在大气压力0.1013 MPa和室温298.15 K。报道了密度、超混合体积和超混合焓、偏摩尔体积和偏摩尔焓、表观摩尔体积的组成趋势。此外,我们还探讨了物质的自扩散、静态介电常数和表面张力的组成趋势。从径向分布函数、配位数和氢键分子分数等方面分析了含组分混合物微观结构的演化过程。我们打算捕捉混合在DMSO摩尔分数的混合物中的物种的特性和异常行为,如果在研究的每个性质中表现出来。详细评估了几种物种模型组合的质量,以确定必要改进的可能性。
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引用次数: 0
On the algorithm to perform Monte Carlo simulations in cells with constant volume and variable shape 研究了恒体积变形状细胞的蒙特卡罗模拟算法
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-10-02 DOI: 10.5488/CMP.25.33201
A. Baumketner
In simulations of crystals, unlike liquids or gases, it may happen that the properties of the studied system depend not only on the volume of the simulation cell but also on its shape. For such cases it is desirable to change the shape of the box on the fly in the course of the simulation as it may not be known ahead of time which geometry fits the studied system best. In this work we derive an algorithm for this task based on the condition that the distribution of specific geometrical parameter observed in simulations at a constant volume matches that observed in the constant-pressure ensemble. The proposed algorithm is tested for the system of hard-core ellipses which makes lattices of different types depending on the asphericity parameter of the particle. It is shown that the performance of the algorithm critically depends on the range of the sampled geometrical parameter. If the range is narrow, the impact of the sampling method is minimal. If the range is large, inadequate sampling can lead to significant distortions of the relevant distribution functions and, as a consequence, errors in the estimates of free energy.
在晶体的模拟中,与液体或气体不同,所研究系统的性质可能不仅取决于模拟单元的体积,还取决于其形状。在这种情况下,在模拟过程中动态地改变盒子的形状是可取的,因为可能无法提前知道哪种几何形状最适合所研究的系统。在这项工作中,我们基于在恒定体积下模拟中观察到的特定几何参数分布与在恒定压力系综中观察到的分布相匹配的条件,推导了一种算法。在硬核椭圆系统中对该算法进行了测试,该系统根据粒子的非球性参数形成不同类型的格。结果表明,该算法的性能在很大程度上取决于采样几何参数的范围。如果范围很窄,则采样方法的影响最小。如果范围很大,不充分的抽样可能导致相关分布函数的严重扭曲,从而导致自由能估计的错误。
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引用次数: 1
Structural aspects of the clustering of curcumin molecules in water. Molecular dynamics computer simulation study 姜黄素分子在水中聚集的结构方面。分子动力学计算机模拟研究
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-06-30 DOI: 10.5488/CMP.25.23201
T. Patsahan, O. Pizio
We explore clustering of curcumin molecules in water by using the OPLS-UA model for the enol conformer of curcumin (J. Mol. Liq., 223, 707, 2016) and the SPC-E water model. With this purpose, solutions of 2, 4, 8, 12, 16 and 20 curcumin molecules in 3000 water molecules are studied by using extensive molecular dynamics computer simulations. Radial distributions for the centers of mass of curcumin molecules are evaluated and the running coordination numbers are analyzed. The formation of clusters on time is elucidated. The internal structure of molecules within the cluster is described by using radial distributions of the elements of the curcumin molecule, the orientation descriptors, the order parameter and the radius of gyration. The self-diffusion coefficient of solute molecules in clusters is evaluated. The distribution of water species around clusters is described in detail. A comparison of our findings with computer simulation results of other authors is performed. A possibility to relate predictions of the model with experimental observations is discussed.
我们利用姜黄素烯醇构象的OPLS-UA模型(J. Mol. Liq., 223, 707, 2016)和SPC-E水模型探索了姜黄素分子在水中的聚类。为此,通过广泛的分子动力学计算机模拟,研究了姜黄素2、4、8、12、16和20分子在3000个水分子中的溶液。评价了姜黄素分子质心的径向分布,分析了运行配位数。阐明了簇在时间上的形成。利用姜黄素分子元素的径向分布、取向描述符、序参量和旋转半径来描述簇内分子的内部结构。计算了溶质分子在团簇中的自扩散系数。详细描述了水种在团簇周围的分布。我们的研究结果与其他作者的计算机模拟结果进行了比较。讨论了将模型预测与实验观测相联系的可能性。
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引用次数: 0
Charge and electric field distributions in the interelectrode region of an inhomogeneous solid electrolyte 非均匀固体电解质电极间区域的电荷和电场分布
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-06-30 DOI: 10.5488/CMP.25.23501
I. Kravtsiv, G. Bokun, M. Holovko, N. Prokopchuk, D. di Caprio
A solid ionic conductor with cation conductivity in the interelectrode region is studied. Due to their large size, the anions are considered fixed and form a homogeneous neutralizing electric background. The model can be used to describe properties of ceramic conductors. For a statistical mechanical description of such systems, which are characterized by short-range Van der Waals interactions and long-range Coulomb interactions, an approach combining the collective variables method and the method of mean cell potentials is used. This formalism was applied in our previous work [Bokun G., Kravtsiv I., Holovko M., Vikhrenko V., di Caprio D., Condens. Matter Phys., 2019, 29, 3351] to a homogeneous state and in the present work is extended to an inhomogeneous case induced by an external electric field. As a result, mean cell potentials become functionals of the density field and can be described by a closed system of integral equations. We investigate the solution of this problem in the lattice approximation and study charge and electric field distributions in the interelectrode region as functions of plate electrode charges. The differential electric capacitance is subsequently calculated and discussed.
研究了电极间具有阳离子电导率的固体离子导体。由于它们的大尺寸,阴离子被认为是固定的,形成均匀的中和性电背景。该模型可用于描述陶瓷导体的性质。对于这类具有近程范德华相互作用和远程库仑相互作用的系统,采用了集体变量法和平均细胞电位法相结合的统计力学描述方法。这种形式主义应用于我们以前的工作[Bokun G., Kravtsiv I., Holovko M., Vikhrenko V., di Caprio D., Condens]。物理问题。[j] .光子学报,2019,29,3351],并在本研究中推广到由外电场诱导的非齐次情况。结果,平均细胞电位成为密度场的泛函,可以用一个封闭的积分方程系统来描述。我们在晶格近似下研究了这一问题的解,并研究了电极间区域的电荷和电场分布作为板电极电荷的函数。差分电容随后被计算和讨论。
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引用次数: 0
Effect of hydrostatic pressure on dynamic dielectric characteristics of CsH2PO4 ferroelectric 静水压力对CsH2PO4铁电材料动态介电特性的影响
IF 0.6 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2022-06-30 DOI: 10.5488/CMP.25.23701
A. Vdovych, R. Levitskii, I. R. Zachek
Based on the pseudospin model of the deformed CsH2PO4 crystal within the Glauber method, the equation for the time-dependent mean value of the pseudospin is obtained, which is solved in the case of small deviations from the equilibrium state. Using the solution of the equation, we find expressions for the longitudinal dynamic dielectric constant and relaxation time. Based on the proposed parameters of the theory, the temperature and frequency dependences of the dynamic dielectric constant and the temperature dependence of the relaxation time are calculated and investigated. A detailed numerical analysis of the obtained results was performed. The influence of hydrostatic pressure on the dynamic characteristics of CsH2PO4 is studied.
利用Glauber方法建立了变形CsH2PO4晶体的赝自旋模型,得到了赝自旋随时间变化的平均值方程,并在与平衡态偏差较小的情况下进行了求解。利用方程的解,我们得到了纵向动态介电常数和弛豫时间的表达式。基于提出的理论参数,计算和研究了动态介电常数的温度和频率依赖性以及弛豫时间的温度依赖性。对所得结果进行了详细的数值分析。研究了静水压力对CsH2PO4动态特性的影响。
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引用次数: 0
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Condensed Matter Physics
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