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Scaling in kinetics of supercooled liquids. 过冷液体动力学中的标度。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.045417
B Zhang, D M Zhang, D Y Sun, X G Gong
{"title":"Scaling in kinetics of supercooled liquids.","authors":"B Zhang, D M Zhang, D Y Sun, X G Gong","doi":"10.1103/PhysRevE.111.045417","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.045417","url":null,"abstract":"<p><p>The present study introduces a renormalization-based approach to investigate the relaxation dynamics within supercooled liquids. By applying a numerical scale transformation to potential energies along the temporal axis, we have established a novel framework that elucidates the underlying kinetics of supercooled liquids. Our findings indicate that the skewness of the potential energy distribution attains its maximum at a characteristic time scale (Δ_{CTS}), which exhibits a scaling law with temperature [Δ_{CTS}∝(T-T^{*})^{-γ}]. This scaling relationship is characterized by an exponent γ that experiences a discontinuous transition at a critical cooling rate, signifying a kinetic-like phase transition. We further find that the product of γ and the logarithm of the cooling rate is approximately constant. This constant, however, varies depending on whether the cooling rate is above or below the critical value, effectively classifying supercooled liquids into two regimes: a glass-forming regime (GFR) and a crystal-forming regime (CFR). Furthermore, we identify that T^{*} corresponds to the glass transition temperature for GFR (T_{g}) and the crystallization temperature for CFR (T_{c}), respectively. We have successfully developed a theoretical model, which not only derives the scaling law but also provides profound insights into the physical implications of Δ_{CTS}, γ, and T^{*}. This research delineates the differences between GFR and CFR and offers a fresh perspective for exploring the nature of glasses. The findings contribute to the broader understanding of the dynamics of supercooled liquids and the mechanisms of glass formation.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-2","pages":"045417"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Short-range ordering and equilibrium structure of binary crystal mixtures of atomic nuclei in white dwarf cores. 白矮星核中原子核二元晶体混合物的短程有序和平衡结构。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.045211
D A Baiko
{"title":"Short-range ordering and equilibrium structure of binary crystal mixtures of atomic nuclei in white dwarf cores.","authors":"D A Baiko","doi":"10.1103/PhysRevE.111.045211","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.045211","url":null,"abstract":"<p><p>Mixtures of bare atomic nuclei on a nearly uniform degenerate electron background are a realistic model of matter in the interior of white dwarfs. Despite tremendous progress in understanding their phase diagrams achieved mainly via first-principle simulations, structural, thermodynamic, and kinetic properties of such mixtures are poorly understood. We develop a semianalytic model of the crystal state of binary mixtures based on the concept of mutual short-range ordering of ions of different sorts. We derive analytic formulas for electrostatic energy of crystal mixtures, including the effect of static ion displacements from the lattice nodes, and estimate their residual entropy. Then we perform free energy minimization with respect to the order parameters for a C/O mixture at all relevant compositions and temperatures. The resulting C/O phase diagram is in a reasonable agreement with that obtained in the most recent first-principle study. The equilibrium microstructure of a crystallized mixture is shown to evolve with decrease of temperature which, in principle, can induce structural transitions. The latter will be accompanied by thermal energy release. The proposed theory opens up a path to analyze ordering and construct phase diagrams of ternary mixtures, which are of great practical interest in astrophysics, as well as to improve calcuations of electron-ion scattering rates and kinetic properties of dense crystallized matter.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-2","pages":"045211"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136556","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Resonances in reflective Hamiltonian Monte Carlo. 反射哈密顿蒙特卡罗的共振。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.045308
Namu Kroupa, Gábor Csányi, Will Handley
{"title":"Resonances in reflective Hamiltonian Monte Carlo.","authors":"Namu Kroupa, Gábor Csányi, Will Handley","doi":"10.1103/PhysRevE.111.045308","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.045308","url":null,"abstract":"<p><p>In high dimensions, reflective Hamiltonian Monte Carlo with inexact reflections exhibits slow mixing when the particle ensemble is initialized from a Dirac δ distribution and the uniform distribution is targeted. By quantifying the instantaneous nonuniformity of the distribution with the Sinkhorn divergence, we elucidate the principal mechanisms underlying the mixing problems. In spheres and cubes, we show that the collective motion transitions between fluidlike and discretization-dominated behavior, with the critical step size scaling as a power law in the dimension. In both regimes, the particles can spontaneously unmix, leading to resonances in the particle density and the aforementioned problems. Additionally, low-dimensional toy models of the dynamics are constructed which reproduce the dominant features of the high-dimensional problem. Finally, the dynamics is contrasted with the exact Hamiltonian particle flow and tuning practices are discussed.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-2","pages":"045308"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theory of friction for periodic water structures moving through a subnanometer carbon nanotube. 周期性水结构通过亚纳米碳纳米管的摩擦理论。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.045103
A W C Lau, J B Sokoloff
{"title":"Theory of friction for periodic water structures moving through a subnanometer carbon nanotube.","authors":"A W C Lau, J B Sokoloff","doi":"10.1103/PhysRevE.111.045103","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.045103","url":null,"abstract":"<p><p>In this paper, we provide a theoretical framework for understanding the friction of water flowing in carbon nanotubes with diameters of the order of a nanometer. Molecular dynamics simulations show that under such circumstances, water forms one-dimensional water wires or hollowed cylindrical periodic structures. Since these structures are likely incommensurate with the nanotube, they exhibit very low friction, analogous to \"superlubricity\" in solids. We calculate the sliding friction arising from phonon excitation in nanotubes and in water structures, and show that it scales linearly with the sliding velocity, and the interfacial friction coefficient is consistent with the results of the molecular simulations. Next, we consider the existence of defects in the water structures and show that they give rise to a nonviscous friction. Using a Langevin equation, we show how our model can account for the water flow measured in experiments for extremely narrow carbon nanotubes.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-2","pages":"045103"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Use of the radial distribution function with the Chebyshev distance to characterize orientation of two-dimensional square crystals. 利用带切比雪夫距离的径向分布函数来表征二维方形晶体的取向。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.044122
F López-González, C Tapia-Ignacio
{"title":"Use of the radial distribution function with the Chebyshev distance to characterize orientation of two-dimensional square crystals.","authors":"F López-González, C Tapia-Ignacio","doi":"10.1103/PhysRevE.111.044122","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.044122","url":null,"abstract":"<p><p>In the present work, the orientation of two-dimensional square crystals is studied using the radial distribution function (RDF) defined with the Chebyshev distance. Traditional RDF methods, based on the Euclidean metric, fail to detect changes in crystal orientation due to their isotropic nature. To overcome this limitation, we introduce a modification of the RDF employing the Chebyshev metric, which adds sensitivity to directional changes within square lattices. This approach expands the information conventionally obtained from the RDF by incorporating not only translational properties but also orientational information. The study provides a mathematical analysis of the peak distribution in this enhanced RDF approach when applied to square crystals rotated through various orientations. We found that the orientation of square crystals can be efficiently determined by calculating the abscissa of the first peak in the Chebyshev RDF, which reduces computational times, even for fine numerical resolutions of differential annular widths as small as 10^{-3} or less. This approach can be applied to any two-dimensional (2D) Bravais lattice structure, with potential modifications based on lattice parameters and is robust for analyzing imperfect lattices with noise and vacancies. In this study, we demonstrate its application on rotated 2D Bravais square lattices, laying the groundwork for future studies on other 2D lattice structures. Additionally, we explore the use of this method to characterize jamming in 2D granular cubic systems, focusing on the orientation of oblique square grains in tilted vibrated layers under cyclic shear.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-1","pages":"044122"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Three-dimensional model for surface accumulation of chiral and nonchiral microswimmers. 手性和非手性微游泳者表面聚集的三维模型。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.045405
Danne M van Roon, Giorgio Volpe, Margarida M Telo da Gama, Nuno A M Araújo
{"title":"Three-dimensional model for surface accumulation of chiral and nonchiral microswimmers.","authors":"Danne M van Roon, Giorgio Volpe, Margarida M Telo da Gama, Nuno A M Araújo","doi":"10.1103/PhysRevE.111.045405","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.045405","url":null,"abstract":"<p><p>Persistent motion of microswimmers near boundaries is known to result in surface accumulation. A way to control surface accumulation is by reducing the contact surface area between swimmers and surface by modifying its topography, typically through the application of microscale structures. In this work, we introduce a three-dimensional (3D) phenomenological model of a microswimmer navigating a volume bounded by a top and bottom surface. We describe the swimmer-surface interaction with an effective near-surface alignment force, and study numerically the effect of surface textures, modeled by convex obstacles, on the surface accumulation of chiral and nonchiral microswimmers. We find that, depending on the angular velocity of the swimmer, and the alignment force, convex obstacles can either hinder or enhance surface accumulation. We discuss potential applications to sorting of microswimmers by their angular velocity.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-2","pages":"045405"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135941","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unveiling the hidden weak universality of the Ziff-Gulari-Barshad model. 揭示Ziff-Gulari-Barshad模型隐藏的弱普遍性。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.044101
Henrique A Fernandes, Roberto da Silva
{"title":"Unveiling the hidden weak universality of the Ziff-Gulari-Barshad model.","authors":"Henrique A Fernandes, Roberto da Silva","doi":"10.1103/PhysRevE.111.044101","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.044101","url":null,"abstract":"<p><p>In this work, we revisited the Ziff-Gullari-Barshad (ZGB) model in order to investigate its critical behavior when carbon monoxide (CO) molecules are allowed to desorb from the catalytic surface. As shown by several authors, when this kind of desorption takes place, the first-order phase transition of the standard model disappears, and an Ising-like critical point is found for a very small value of the desorption rate. However, our time-dependent Monte Carlo simulations reveal that, instead of a single critical point, there exists a critical line that appears to encompass multiple universality classes, passing through the Ising and three-state Potts points, as well as providing reasonable evidence for the four-state Potts point, resulting in an unprecedented critical line exhibiting weak universality.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-1","pages":"044101"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144135957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Full distribution and large deviations of local observables in an exactly solvable current-carrying steady state of a strongly driven XXZ chain. 强驱动XXZ链载流精确可解稳态下局部观测值的完全分布和大偏差。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.044139
Sandipan Manna, G J Sreejith
{"title":"Full distribution and large deviations of local observables in an exactly solvable current-carrying steady state of a strongly driven XXZ chain.","authors":"Sandipan Manna, G J Sreejith","doi":"10.1103/PhysRevE.111.044139","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.044139","url":null,"abstract":"<p><p>Current-carrying steady states of interacting spin chains exhibit rich structures generated through an interplay of constraints from the Hamiltonian dynamics and those induced by the current. The XXZ spin chain when coupled to maximally polarizing Lindblad terms (with opposite signs on either end) admits an exact solution for the steady state in a matrix product state (MPS) form. We use this exact solution to study the correlations and distributions of local spin observables in the nonequilibrium steady state. We present exact expressions for spin correlators, entropy per site, and scaled cumulant generating functions (SCGF) for distributions of local observables in the XX limit (Ising anisotropy Δ=0). Further, we use the exact MPS solution in the Δ>0 regime to calculate numerically exact entropy, correlations, as well as full distributions of spin observables in large systems. In systems where Δ is a cosine of rational multiple of π, we can numerically exactly estimate the large system limit of the SCGF and the large deviation/rate functions of local-z magnetization. For these, we show that the deviations of the SCGF, calculated in finite systems, from the asymptotic large system size limit decay exponentially with system size; however, the decay rate is a discontinuous function of Δ. The x magnetization density shows a double peak structure at Δ≲1, suggesting short-range ferromagnetic ordering in the x direction similar to what was reported for the ground state of the XXZ chain.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-1","pages":"044139"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Diffusion-aware compartment model of the cellular uptake of ^{18}F-fluorodeoxyglucose. ^ b{18} f -氟脱氧葡萄糖细胞摄取的扩散感知室模型。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.044409
Xiaoxu Zhong, Hieu T M Nguyen, Eri Takematsu, Guillem Pratx
{"title":"Diffusion-aware compartment model of the cellular uptake of ^{18}F-fluorodeoxyglucose.","authors":"Xiaoxu Zhong, Hieu T M Nguyen, Eri Takematsu, Guillem Pratx","doi":"10.1103/PhysRevE.111.044409","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.044409","url":null,"abstract":"<p><p>Compartment models are widely used in fields such as epidemiology and biomedicine to describe the exchange of uniformly distributed materials between interconnected compartments. However, their application in biological fluids is limited by the assumption of infinitely large diffusivity, especially in environments such as tumors or subcutaneous tissue, where diffusion is considerably lower. To address this, we develop a diffusion-aware compartment model that maintains the simplicity of traditional compartment models while offering greater accuracy. We conducted experiments on the uptake of ^{18}F-fluorodeoxyglucose (FDG), a radionuclide, by cells grown in culture plates and found a good agreement between the measured and predicted cellular radioactivity. We identify two critical dimensionless parameters that compare the amount of FDG (i) replenished by diffusion and (ii) available in the culture medium to the amount of FDG taken up by cells. We demonstrate that the diffusion-aware compartment model reduces to the three-compartment model when FDG diffusion is fast relative to cellular uptake, and it further simplifies to the two-compartment model when sufficient FDG is available in the culture medium. The semianalytic solutions of the diffusion-aware compartment model can be easily extended to study other scenarios, such as drug transport and bubble growth dynamics.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-1","pages":"044409"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Boltzmann approach to collective motion via nonlocal visual interaction. 通过非局部视觉相互作用研究集体运动的玻尔兹曼方法。
IF 2.4 3区 物理与天体物理
Physical review. E Pub Date : 2025-04-01 DOI: 10.1103/PhysRevE.111.044411
Susumu Ito, Nariya Uchida
{"title":"Boltzmann approach to collective motion via nonlocal visual interaction.","authors":"Susumu Ito, Nariya Uchida","doi":"10.1103/PhysRevE.111.044411","DOIUrl":"https://doi.org/10.1103/PhysRevE.111.044411","url":null,"abstract":"<p><p>Visual cues play crucial roles in the collective motion of animals, birds, fish, and insects. The interaction mediated by visual information is essentially nonlocal and has many-body nature due to occlusion, which poses a challenging problem in modeling the emergent collective behavior. In this paper, we introduce a Boltzmann-equation approach incorporating nonlocal visual interaction. Occlusion is treated in a self-consistent manner via a coarse-grained density field, which renders the interaction effectively pairwise. Our model also incorporates the recent finding that each organism stochastically selects a neighbor to interact at each instant. We analytically derive the order-disorder transition point, and show that the visual screening effect raises the transition threshold, which does not vanish when the density of the agents or the range of the intrinsic interaction is taken to infinity. Our analysis suggests that the model exhibits a discontinuous transition as in the local interaction models, and but the discontinuity is weakened by the nonlocality. Our study clarifies the essential role of nonlocality in the visual interactions among moving organisms.</p>","PeriodicalId":20085,"journal":{"name":"Physical review. E","volume":"111 4-1","pages":"044411"},"PeriodicalIF":2.4,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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