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Editorial on the topical issue of charged species in bulk and at interfaces 关于散装和界面带电物种的专题问题的社论。
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-03-28 DOI: 10.1140/epje/s10189-025-00475-6
Emanuela Bianchi, Kyongok Kang

The topical issue titled “Charged Species in Bulk and at Interfaces: Interaction, Mobility, Transport, and Regulation” is based on contributions from speakers at three CECAM workshops held in 2016, 2018, and 2022. In addition, this editorial is also intended to express our sincere appreciation to our senior co-organizers, Prof. Jan K. G. Dhont (FZJ, Germany) and Prof. Gerhard Kahl (TU Wien, Austria), for their invaluable contributions.

主题为“散装和界面带电物种:相互作用,移动性,运输和监管”的专题是基于演讲者在2016年,2018年和2022年举行的三次CECAM研讨会上的贡献。此外,这篇社论还旨在向我们的高级共同组织者Jan K. G. Dhont教授(FZJ,德国)和Gerhard Kahl教授(TU Wien,奥地利)表示诚挚的感谢,感谢他们的宝贵贡献。
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引用次数: 0
Water absorption dynamics in medical foam: empirical validation of the Lucas–Washburn model 医用泡沫中的吸水动力学:Lucas-Washburn模型的经验验证。
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-03-05 DOI: 10.1140/epje/s10189-025-00478-3
Weihua Mu, Hui Sun, Lina Cao

This study extends the Lucas–Washburn theory through non-equilibrium thermodynamic analysis to examine fluid absorption in medical foams used for hemorrhage control. As a universal model for capillary flow in porous media, the theory demonstrated strong agreement with experimental results, confirming its semi-quantitative accuracy. Minor deviations, likely due to material heterogeneity, were observed and explained, enhancing the theory’s applicability to real-world conditions. Our findings underscore the universality of the Lucas–Washburn framework and provide valuable insights for optimizing the design of medical foams, ultimately contributing to more effective bleeding control solutions in clinical applications.

本研究通过非平衡热力学分析来扩展Lucas-Washburn理论,以检验用于出血控制的医用泡沫中的液体吸收。作为多孔介质中毛细管流动的通用模型,该理论与实验结果具有较强的一致性,证实了其半定量的准确性。微小的偏差,可能是由于材料的异质性,被观察和解释,提高了理论对现实世界条件的适用性。我们的研究结果强调了Lucas-Washburn框架的普遍性,并为优化医用泡沫的设计提供了有价值的见解,最终有助于在临床应用中提供更有效的出血控制解决方案。
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引用次数: 0
Metareview: a survey of active matter reviews Metareview:活跃物质评论的调查。
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-03-04 DOI: 10.1140/epje/s10189-024-00466-z
Michael te Vrugt, Raphael Wittkowski

In the past years, the amount of research on active matter has grown extremely rapidly, a fact that is reflected in particular by the existence of more than 1000 reviews on this topic. Moreover, the field has become very diverse, ranging from theoretical studies of the statistical mechanics of active particles to applied work on medical applications of microrobots and from biological systems to artificial swimmers. This makes it very difficult to get an overview over the field as a whole. Here, we provide such an overview in the form of a metareview article that surveys the existing review articles and books on active matter. Thereby, this article provides a useful starting point for finding literature about a specific topic.

在过去的几年里,对活性物质的研究数量增长得非常迅速,这一事实尤其反映在关于该主题的1000多篇评论中。此外,该领域已经变得非常多样化,从活性粒子统计力学的理论研究到微型机器人的医疗应用的应用工作,从生物系统到人工游泳者。这使得很难对整个领域进行概述。在这里,我们以一篇元视图文章的形式提供这样一个概述,该文章调查了现有的关于活性物质的评论文章和书籍。因此,本文为查找有关特定主题的文献提供了一个有用的起点。
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引用次数: 0
Macroscopic dynamics of the antiferroelectric smectic (Z_textrm{A}) phase and its magnetic analog (Z_textrm{M}) 反铁电近晶(Z_textrm{A})相及其磁性类似物的宏观动力学 (Z_textrm{M})
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-02-27 DOI: 10.1140/epje/s10189-025-00476-5
Helmut R. Brand, Harald Pleiner

We analyze the macroscopic dynamics of antiferroelectric smectic (Z_textrm{A}) and antiferromagnetic smectic (Z_textrm{M}) liquid crystals. The smectic (Z_textrm{A}) phase is characterized by antiferroelectric order in one direction in the planes of the smectic layers giving rise to an orthogonal biaxial overall symmetry without polar direction. Thus in sufficiently thick (bulk) samples without externally applied electric fields, globally (D_{2h}) symmetry results. Therefore, the macroscopic dynamics of the smectic (Z_textrm{A}) is isomorphic to that of the McMillan phase and one can take over the corresponding results in the field-free limit. This also applies to the defect structure in the sense that one can expect the appearance of half-integer defects as they have also been observed for the McMillan phase. Based on the fact that ferromagnetic nematic liquid crystals are known for about a decade, it seems natural to investigate the antiferromagnetic analog of the smectic (Z_textrm{A}) phase, which we denote as (Z_textrm{M}) in the present paper. In this phase, one also has an in-plane preferred direction, which is, however, not like a director in an ordinary nematic, but odd under time reversal. It can be characterized by a staggered magnetization, ({varvec{N}}), just as in a solid antiferromagnet like MnO. As additional macroscopic variables when compared to a usual non-polar smectic A phase, we have the in-plane staggered magnetization and the magnetization ({varvec{M}}). As a consequence, we find that spin waves (frequently called anti-magnons in solids) become possible. Therefore, we have for the antiferromagnetic smectic phase, (Z_textrm{M}), three pairs of propagating modes: first and ‘second’ sound as in usual smectic A phases and one pair of spin waves. The coupling between ‘second’ sound and spin waves is also analyzed leading to the possibility to excite spin waves by dynamic layer compressions and, vice versa, to generate ‘second’ sound by temporally varying magnetic fields. We note, however, that without additional mechanical or magnetic deformations, the coupling between spin waves on the one hand and first and second sound on the other is a higher order effect in the wave vector (textbf{q} ). We also analyze the question of antiferroelectricity and antiferromagnetism for nematic liquid crystals.

我们分析了反铁电型近晶(Z_textrm{A})和反铁磁型近晶(Z_textrm{M})液晶的宏观动力学。近晶(Z_textrm{A})相的特点是在近晶层的平面上有一个方向的反铁电序,从而产生一个没有极性方向的正交双轴整体对称。因此,在没有外部施加电场的足够厚的(散装)样品中,全局(D_{2h})对称结果。因此,密晶(Z_textrm{A})的宏观动力学与麦克米伦相的宏观动力学是同构的,可以在无场极限下继承相应的结果。这也适用于缺陷结构,在某种意义上,人们可以期望出现半整数缺陷,因为它们也在麦克米伦阶段被观察到。基于铁磁向列液晶已经被发现了大约十年的事实,研究近晶(Z_textrm{A})相的反铁磁类似物似乎是很自然的,我们在本文中将其记为(Z_textrm{M})。在这个阶段,人们也有一个平面内的优先方向,但它不像普通向列中的方向,而是在时间反转下的奇数方向。它的特点是交错磁化,({varvec{N}}),就像固体反铁磁体一样,比如MnO。与通常的非极性近晶a相相比,作为附加的宏观变量,我们有平面内交错磁化和磁化({varvec{M}})。因此,我们发现自旋波(在固体中经常被称为反磁振子)成为可能。因此,对于反铁磁的近晶相(Z_textrm{M}),我们有三对传播模式:像通常的近晶A相一样的第一和“第二”声和一对自旋波。还分析了“第二”声和自旋波之间的耦合,从而导致通过动态层压缩激发自旋波的可能性,反之亦然,通过临时变化的磁场产生“第二”声。然而,我们注意到,如果没有额外的机械或磁变形,一方面自旋波与另一方面第一和第二声音之间的耦合在波矢量(textbf{q} )中是一个高阶效应。我们还分析了向列液晶的反铁电性和反铁磁性问题。
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引用次数: 0
The sharp lower bound of tricyclic graphs with respect to the ISI index: applications in octane isomers and benzenoid hydrocarbons ISI指数的三环图的尖锐下界:在辛烷异构体和苯类烃中的应用
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-02-03 DOI: 10.1140/epje/s10189-025-00474-7
Qun Zhang, Shahid Zaman, Asad Ullah, Parvez Ali, Emad E. Mahmoud

The inverse sum indeg index of a given graph G is symbolized with ISI and defined by sum of the weights (frac{d_u d_v}{d_u + d_v}) entire links (uvin G). We denote (d_u) (resp. (d_v)) the degree of a vertex u (resp. v) of G. In this paper, we obtained the sharp lower bound of tricyclic graphs with respect to the ISI index of order (ngeqslant 6) with size (n + 2). By using atoms as vertices and chemical bonds as edges, graph theory permits the representation of molecular structures as mathematical entities called graphs. Based on the above concept, we formulated the ISI index of octane isomers (OI) and benzenoid hydrocarbons (BH) and compared the values of ISI index with various degree-based TI’s via their correlations and chemical properties. The structural analysis of octane isomers is an important application of this research, as the ISI index delivers insights into stability designs across various isomeric forms.

给定图G的逆和索引用ISI表示,并由权重和(frac{d_u d_v}{d_u + d_v})整个链接(uvin G)定义。我们表示(d_u)(参见。(d_v))顶点u的度数。在本文中,我们得到了三环图关于阶为(ngeqslant 6),大小为(n + 2)的ISI指数的尖锐下界。通过使用原子作为顶点,化学键作为边,图论允许将分子结构表示为称为图的数学实体。基于上述概念,我们建立了辛烷异构体(OI)和苯类烃(BH)的ISI指数,并通过ISI指数与不同程度TI的相关性和化学性质进行了比较。辛烷异构体的结构分析是本研究的重要应用,因为ISI指数提供了对各种异构体形式的稳定性设计的见解。
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引用次数: 0
Numerical simulation study on drag reduction performance of streamline collective model on plane 流线集体模型在平面上减阻性能的数值模拟研究。
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-02-01 DOI: 10.1140/epje/s10189-025-00473-8
Guanghao Li, Gongbo Li, Xin Fang, Guijie Liu

The energy carried by underwater vehicles is primarily employed to overcome water resistance. Reducing resistance can significantly enhance the speed and endurance of underwater vehicles. This study draws inspiration from biomimicry principles and proposes a novel drag reduction method inspired by the structural dynamics of fish schools. Building upon the structure of fish school, a collective model of streamlined forms is established. These streamlined collective models are arranged on a plane, and the study investigates the impact of various streamlined collective structures on planar resistance. By changing the spacing of the streamline collective model and flow field velocity, the drag reduction rules of different models at different flow rates are obtained. Through flow field analysis, the mechanism through which streamlined collective models achieve drag reduction on a flat surface is revealed. The research indicates that the streamlined collective models reduce total resistance by diminishing the viscous drag on the flat plate. The drag reduction effect generally decreases and then increases as the lateral spacing of the streamlined collective model increases. The maximum drag reduction rate can reach up to 8.63%. This study provides a novel approach for drag reduction in underwater vehicles, paving the way for further exploration and application development in this field.

Graphical abstract

水下航行器所携带的能量主要用于克服水阻力。减小阻力可以显著提高水下航行器的航速和续航能力。本研究从仿生学原理中获得灵感,并提出了一种受鱼群结构动力学启发的新型减阻方法。在鱼群结构的基础上,建立了一个流线型的集体模型。这些流线型集体模型布置在一个平面上,研究了各种流线型集体结构对平面阻力的影响。通过改变流线集体模型的间距和流场速度,得到了不同模型在不同流量下的减阻规律。通过流场分析,揭示了流线型集体模型在平面上实现减阻的机理。研究表明,流线型集体模型通过减小平板上的粘性阻力来减小总阻力。减阻效果一般随流线型集体模型横向间距的增大先减小后增大。最大减阻率可达8.63%。该研究为水下航行器减阻提供了一种新的方法,为该领域的进一步探索和应用开发铺平了道路。
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引用次数: 0
Vertex-based parameters of hierarchal lattice tube with an application of metric dimension 基于顶点的分层格管参数与度量维数的应用。
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-01-28 DOI: 10.1140/epje/s10189-025-00471-w
Khawlah Alhulwah, Ali N. A. Koam, Nasreen Almohanna, Ali Ahmad, Muhammad Azeem

Architectural metamaterials that span different length scales and are either self-similar or dissimilar to one another make up hierarchical lattices. Comparing hierarchical lattices to traditional ones reveals that they offer superior and customizable properties, which allows for a wide variety of material property manipulation and optimization. Each computer network can be represented as a graph, where nodes alternate as vertices and links are edges. The recent advanced topic of resolvability parameters of a graph involves shaping the entire structure to obtain each nodes’ specific position. In this article, we computed the metric, fault metric, and partition dimension of the hierarchal lattic tube. The application of the metric dimension is also covered in this paper.

Generalized hierarchal lattice tube

跨越不同长度尺度、彼此自相似或不相似的建筑超材料构成了分层格。将分层晶格与传统晶格进行比较,可以发现它们提供了优越的可定制属性,从而允许各种各样的材料属性操作和优化。每个计算机网络都可以表示为一个图,其中节点交替作为顶点,链接是边。图的可解析性参数最近的高级主题涉及到塑造整个结构以获得每个节点的具体位置。在本文中,我们计算了分层晶格管的度规、故障度规和划分维数。本文还讨论了度量量纲的应用。
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引用次数: 0
Microstructure response of concentrated suspensions to flow reversal 浓悬液的微观结构对回流的响应。
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-01-24 DOI: 10.1140/epje/s10189-025-00472-9
A. A. García, Y. L. Roht, I. Ippolito, D. Salin, G. Drazer, J. P. Hulin, G. Gauthier

We study experimentally at the macroscopic and microstructure scale a dense suspension of non-Brownian neutrally buoyant spherical particles experiencing periodic reversals of flow at constant rate between parallel plates and tracked individually. We first characterize the quasi-steady state reached at the end of half periods. The volume fraction of particles increases from the walls to the center as a result of migration induced by the nonuniform strain rate. Except very close to the walls and the center, the particle pair distribution is fore-aft asymmetric with depletions of pairs in the extensional quadrants, similar to that reported for shear flows of same volume fraction as the local one. The dynamics of the periodic rearrangements occurring after each flow reversal are characterized by a microstructure tensor component. The relaxation time characterizing the reorganization increases from the walls to the center due to the inhomogeneous strain rate. On the other hand, the local accumulated strain required for this reorganization decreases with the volume fraction, like for viscosity measurements in uniform strain rate conditions. However, the variation of the microstructure with the accumulated strain is faster than that of the viscosity, showing the complementarity of the two measurements.

Left: Experimental image showing the particle suspension inside a slice of the channel. Middle: Representation of a pair of particles and its relative position vector. Right: Pair distribution function by the end of an oscillation

我们在宏观和微观尺度上实验研究了非布朗中性浮力球形颗粒的密集悬浮液,它们在平行板之间以恒定速率经历周期性的流动逆转,并单独跟踪。我们首先描述半周期结束时达到的准稳态。由于非均匀应变速率引起的迁移,颗粒的体积分数从壁面向中心增加。除了非常靠近壁面和中心外,颗粒对分布是前后不对称的,并且在伸展象限中对耗尽,类似于与局部体积分数相同的剪切流的报道。每次回流后发生的周期性重排动力学用微观结构张量分量来表征。由于应变速率不均匀,表征重组的弛豫时间从管壁到中心逐渐增加。另一方面,这种重组所需的局部累积应变随着体积分数的增加而减少,就像在均匀应变率条件下的粘度测量一样。然而,微观结构随累积应变的变化比粘度的变化要快,显示了两种测量的互补性。
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引用次数: 0
Simulation of a liquid drop on a soft substrate 软基板上液滴的模拟
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-01-21 DOI: 10.1140/epje/s10189-024-00470-3
Yalda Poorhoshyar, Amir H. Fatollahi, Amir Aghamohammadi

A liquid drop resting on a soft substrate is numerically simulated as an energy minimization problem. The elastic substrate is modeled as a cubic lattice of mass-springs, to which an energy term controlling the change of volume is associated. The interfacial energy between three phases of solid, liquid, and vapor is also introduced. Under the constant volume constraint of the liquid drop, the total energy of the system is subjected to a numerical minimization process by which profiles of both substrate and drop are obtained. The numerical simulation enables the modeling of the wetting setup with various parameters associated with solid and liquid phases, including the Young’s modulus and Poisson’s ratio of the solid, the surface tension of the three phases, and geometrical parameters such as the contact radius or thickness of the solid. The direct outputs of the minimization process are the displacements of the solid lattice and boundary points of the liquid, by which the behavior of all relevant quantities, such as contact angles in the three phases, as well as the effective surface tension of the solid, can be quantitatively studied. The resulting displacements of the solid are compared with the exact solution of the elasticity equation under the assumption of no tangential traction, and a quite satisfactory agreement is observed. However, at larger Young’s modulus or lower Poisson’s ratios the agreement between the numerical results and the analytical solutions is lost in the vicinity of the contact points. Interestingly, a non-zero tangential traction in the vicinity of contact points is calculated by the numerical outputs, indicating that the assumption of zero tangential traction is not valid generally around the contact points. The effective surface tension at the contact points is calculated for an incompressible solid substrate, showing a linear increase with respect to the Young’s modulus of the solid, as (delta gamma =c,E).

将液滴落在软基板上作为能量最小化问题进行数值模拟。将弹性衬底建模为质量弹簧的立方晶格,并与控制体积变化的能量项相关联。介绍了固、液、气三相的界面能。在液滴等体积约束下,对系统总能量进行了数值最小化处理,得到了基体和液滴的轮廓。数值模拟可以用与固相和液相相关的各种参数对润湿装置进行建模,包括固体的杨氏模量和泊松比、三相的表面张力以及固体的接触半径或厚度等几何参数。最小化过程的直接输出是固体晶格和液体边界点的位移,通过这些位移,可以定量地研究所有相关量的行为,例如三相中的接触角以及固体的有效表面张力。将所得的固体位移与弹性方程在无切向牵引力假设下的精确解进行了比较,得到了令人满意的结果。然而,在较大的杨氏模量或较低的泊松比下,在接触点附近,数值结果与解析解之间的一致性会丢失。有趣的是,数值输出计算了接触点附近的非零切向牵引力,表明接触点附近的零切向牵引力假设一般不成立。接触点处的有效表面张力计算为不可压缩的固体基材,显示出相对于固体的杨氏模量的线性增加,如(delta gamma =c,E)。
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引用次数: 0
Structural analysis of physical gel networks using graph neural networks 用图神经网络分析物理凝胶网络的结构
IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-01-13 DOI: 10.1140/epje/s10189-024-00469-w
Matthias Gimperlein, Felix Dominsky, Michael Schmiedeberg

We employ graph neural networks (GNN) to analyse and classify physical gel networks obtained from Brownian dynamics simulations of particles with competing attractive and repulsive interactions. Conventionally such gels are characterized by their position in a state diagram spanned by the packing fraction and the strength of the attraction. Gel networks at different regions of such a state diagram are qualitatively different although structural differences are subtile while dynamical properties are more pronounced. However, using graph classification the GNN is capable of positioning complete or partial snapshots of such gel networks at the correct position in the state diagram based on purely structural input. Furthermore, we demonstrate that not only supervised learning but also unsupervised learning can be used successfully. Therefore, the small structural differences are sufficient to classify the gel networks. Even the trend of data from experiments with different salt concentrations is classified correctly if the GNN was only trained with simulation data. Finally, GNNs are used to compute backbones of gel networks. As the node features used in the GNN are computed in linear time (mathcal {O}(N)), the use of GNN significantly accelerates the computation of reduced networks on a particle level.

我们使用图神经网络(GNN)来分析和分类从具有竞争性吸引和排斥相互作用的粒子的布朗动力学模拟中获得的物理凝胶网络。通常,这种凝胶的特征是它们在由填料分数和吸引力强度所跨越的状态图中的位置。凝胶网络在这样一个状态图的不同区域是定性不同的,虽然结构上的差异是微妙的,而动态性质更明显。然而,使用图分类,GNN能够根据纯粹的结构输入,将凝胶网络的全部或部分快照定位在状态图中的正确位置。此外,我们证明了监督学习和无监督学习都可以成功地应用。因此,微小的结构差异足以对凝胶网络进行分类。如果只使用模拟数据训练GNN,即使不同盐浓度实验数据的趋势也能被正确分类。最后,利用gnn计算凝胶网络的主干。由于GNN中使用的节点特征是在线性时间内计算的(mathcal {O}(N)),因此使用GNN可以在粒子水平上显著加速约简网络的计算。
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引用次数: 0
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The European Physical Journal E
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