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Thermal transport in long-range interacting harmonic chains perturbed by long-range conservative noise 受长程保守噪声扰动的长程相互作用谐波链中的热传输
Pub Date : 2024-09-18 DOI: arxiv-2409.11832
Francesco Andreucci, Stefano Lepri, Carlos Mejía-Monasterio, Stefano Ruffo
We study non-equilibrium properties of a chain of $N$ oscillators with bothlong-ranged harmonic interactions and long-range conservative noise thatexchange momenta of particle pairs. We derive exact expressions for the(deterministic) energy-current auto-correlation at equilibrium, based on thekinetic approximation of the normal mode dynamics. In all cases the decay isalgebraic in the thermodynamic limit. We distinguish four distinct regimes ofcorrelation decay depending on the exponents controlling the range ofdeterministic and stochastic interactions. Surprisingly, we find thatlong-range noise breaks down the long-range correlations characteristic of lowdimensional models, suggesting a normal regime in which heat transport becomesdiffusive. For finite systems, we do also derive exact expressions for thefinite-size corrections to the algebraic decay of the correlation. In certainregimes, these corrections are considerably large, rendering hard theestimation of transport properties from numerical data for the finite chains.Our results are tested against numerical simulations, performed with anefficient algorithm.
我们研究了具有长程谐波相互作用和长程保守噪声的 $N$ 振荡器链的非平衡特性,这两种作用会交换粒子对的矩。我们基于正常模式动力学的动力学近似,推导出了平衡时能量-电流自相关(确定性)的精确表达式。在所有情况下,衰变在热力学极限中都是代数的。根据控制确定性和随机性相互作用范围的指数,我们区分了相关性衰减的四种不同状态。令人惊讶的是,我们发现长程噪声打破了低维模型所特有的长程相关性,这表明在正常情况下,热传输变得具有扩散性。对于有限系统,我们还推导出了相关性代数衰减的有限大小修正的精确表达式。在某些情况下,这些修正相当大,使得从有限链的数值数据中估计输运特性变得困难。
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引用次数: 0
Mirages in the Energy Landscape of Soft Sphere Packings 软球填料能量景观中的海市蜃楼
Pub Date : 2024-09-18 DOI: arxiv-2409.12113
Praharsh Suryadevara, Mathias Casiulis, Stefano Martiniani
The energy landscape is central to understanding low-temperature and athermalsystems, like jammed soft spheres. The geometry of this high-dimensional energysurface is controlled by a plethora of minima and their associated basins ofattraction that escape analytical treatment and are thus studied numerically.We show that the ODE solver with the best time-for-error for this problem,CVODE, is orders of magnitude faster than other steepest-descent solvers forsuch systems. Using this algorithm, we provide unequivocal evidence thatoptimizers widely used in computational studies destroy all semblance of thetrue landscape geometry, even in moderate dimensions. Using various geometricindicators, both low- and high-dimensional, we show that results on thefractality of basins of attraction originated from the use of inadequatemapping strategies, as basins are actually smooth structures with well-definedlength scales. Thus, a vast number of past claims on energy landscapes need tobe re-evaluated due to the use of inadequate numerical methods.
能量面是理解低温和无热系统(如卡住的软球)的核心。这种高维能量面的几何形状由大量的极小值及其相关的吸引盆地所控制,这些极小值和吸引盆地无法进行分析处理,因此只能通过数值方法进行研究。利用这种算法,我们提供了明确的证据,证明在计算研究中广泛使用的优化器会破坏真实景观几何的所有外观,即使在中等维度中也是如此。通过使用各种几何指标(包括低维和高维),我们证明了关于吸引力盆地折裂性的结果源自于使用了不适当的映射策略,因为盆地实际上是具有明确长度尺度的平滑结构。因此,由于使用了不恰当的数值方法,过去关于能量景观的大量说法需要重新评估。
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引用次数: 0
Shock propagation in a driven hard sphere gas: molecular dynamics simulations and hydrodynamics 驱动硬球气体中的冲击传播:分子动力学模拟和流体力学
Pub Date : 2024-09-18 DOI: arxiv-2409.12086
Amit Kumar, R. Rajesh
The continuous injection of energy at a localized region in space in astationary gas creates a shock wave that propagates radially outwards. We studythe hydrodynamics of this disturbance using event driven molecular dynamics ofa hard sphere gas in three dimensions, the numerical solution of the Eulerequation with a virial equation of state for the gas, and the numericalsolution of the Navier-Stokes equation. We show that the results from the Eulerequation do not agree with the data from hard sphere simulations. Includingdissipative terms through the Navier-Stokes equation results in reasonably gooddescription of the data, when the coefficients of dissipation are choseparametrically.
在静止气体的空间局部区域持续注入能量会产生向外径向传播的冲击波。我们利用三维硬球气体的事件驱动分子动力学、带有气体状态方程的 Eulerequation 数值解法以及纳维-斯托克斯方程的数值解法研究了这种扰动的流体动力学。我们发现欧拉方程的结果与硬球模拟的数据并不一致。如果按参数选择耗散系数,通过纳维-斯托克斯方程加入耗散项,则可以合理地描述数据。
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引用次数: 0
Graph Neural Network-State Predictive Information Bottleneck (GNN-SPIB) approach for learning molecular thermodynamics and kinetics 学习分子热力学和动力学的图神经网络-状态预测信息瓶颈(GNN-SPIB)方法
Pub Date : 2024-09-18 DOI: arxiv-2409.11843
Ziyue Zou, Dedi Wang, Pratyush Tiwary
Molecular dynamics simulations offer detailed insights into atomic motionsbut face timescale limitations. Enhanced sampling methods have addressed thesechallenges but even with machine learning, they often rely on pre-selectedexpert-based features. In this work, we present the Graph Neural Network-StatePredictive Information Bottleneck (GNN-SPIB) framework, which combines graphneural networks and the State Predictive Information Bottleneck toautomatically learn low-dimensional representations directly from atomiccoordinates. Tested on three benchmark systems, our approach predicts essentialstructural, thermodynamic and kinetic information for slow processes,demonstrating robustness across diverse systems. The method shows promise forcomplex systems, enabling effective enhanced sampling without requiringpre-defined reaction coordinates or input features.
分子动力学模拟可提供原子运动的详细洞察,但面临时间尺度的限制。增强型采样方法已经解决了这些挑战,但即使是机器学习,它们也往往依赖于预选的基于专家的特征。在这项工作中,我们提出了图神经网络-状态预测信息瓶颈(GNN-SPIB)框架,该框架结合了图神经网络和状态预测信息瓶颈,可直接从原子坐标自动学习低维表征。通过对三个基准系统的测试,我们的方法预测出了缓慢过程的基本结构、热力学和动力学信息,证明了该方法在不同系统中的鲁棒性。该方法有望用于复杂系统,无需预先定义反应坐标或输入特征,即可实现有效的增强采样。
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引用次数: 0
Not-so-glass-like Caging and Fluctuations of an Active Matter Model 活性物质模型的非玻璃笼罩和波动
Pub Date : 2024-09-18 DOI: arxiv-2409.12037
Mingyuan Zheng, Dmytro Khomenko, Patrick Charbonneau
Simple active models of matter recapitulate complex biological phenomena.Their out-of-equilibrium nature, however, often makes these models beyond thereach of first-principle descriptions. This limitation is particularlyperplexing when attempting to distinguish between different glass-formingmechanisms. We here consider a minimal active system in various spatialdimensions to identify the underlying processes at play. Activity is found tomarkedly impact cage escape processes and critical fluctuations, thus offeringa distinct perspective on the role of activity sluggish dynamics.
简单的有源物质模型可以再现复杂的生物现象。然而,它们的非平衡性质往往使这些模型超出了第一原理描述的范围。当试图区分不同的玻璃形成机制时,这种限制尤其令人困惑。在这里,我们考虑了一个在不同空间维度上的最小活动系统,以确定起作用的基本过程。我们发现,活动明显影响了笼逃逸过程和临界波动,从而为活动迟缓动力学的作用提供了一个独特的视角。
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引用次数: 0
Consensus effects of social media synthetic influence groups on scale-free networks 社交媒体合成影响群体对无标度网络的共识效应
Pub Date : 2024-09-17 DOI: arxiv-2409.10830
Giuliano G. Porciúncula, Marcone I. Sena Júnior, Luiz Felipe C. Pereira, André L. M. Vilela
Online platforms for social interactions are an essential part of modernsociety. With the advance of technology and the rise of algorithms and AI,content is now filtered systematically and facilitates the formation of filterbubbles. This work investigates the social consensus under limited visibilityin a two-state majority-vote model on Barab'asi-Albert scale-free networks. Inthe consensus evolution, each individual assimilates the opinion of themajority of their neighbors with probability $1-q$ and disagrees with chance$q$, known as the noise parameter. We define the visibility parameter $V$ asthe probability of an individual considering the opinion of a neighbor at agiven interaction. The parameter $V$ enables us to model the limited visibilityphenomenon that produces synthetic neighborhoods in online interactions. Weemploy Monte Carlo simulations and finite-size scaling analysis to obtain thecritical noise parameter as a function of the visibility $V$ and the growthparameter $z$. We find the critical exponents $beta/bar{nu}$,$gamma/bar{nu}$ and $1/bar{nu}$ of and validate their unitary relation forcomplex networks. Our analysis shows that installing and manipulating syntheticinfluence groups critically undermines consensus robustness.
在线社交互动平台是现代社会的重要组成部分。随着技术的进步以及算法和人工智能的兴起,现在的内容都是经过系统过滤的,这有利于过滤泡的形成。这项工作研究了在巴拉布(Barab'asi-Albert)无标度网络上的双状态多数票模型中,有限可见度下的社会共识。在共识演化过程中,每个人都会以 1-q$ 的概率吸收其邻居大多数人的意见,并以 q$ 的概率(即噪声参数)提出不同意见。我们将可见度参数 $V$ 定义为个体在某次互动中考虑邻居意见的概率。参数 $V$ 使我们能够模拟在线互动中产生合成邻域的有限可见度现象。我们通过蒙特卡罗模拟和有限规模缩放分析,得到了临界噪声参数与可见度 $V$ 和增长参数 $z$ 的函数关系。我们找到了临界指数 $/beta/bar/{nu}$、$gamma/bar/{nu}$ 和 $1/bar/{nu}$,并验证了它们与复杂网络的单元关系。我们的分析表明,安装和操纵合成影响组会严重破坏共识的稳健性。
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引用次数: 0
Selection Principle for the Screening Parameters in the Mechanical Response of Amorphous Solids 无定形固体力学响应筛选参数的选择原则
Pub Date : 2024-09-17 DOI: arxiv-2409.11507
Pawandeep Kaur, Itamar Procaccia, Tuhin Samanta
The mechanical response of amorphous solids to external strains is riddledwith plastic events that create topological charges in the resultingdisplacement field. It was recently shown that the latter leads to screeningphenomena that are accompanied by the breaking of both translational and Chiralsymmetries. The screening effects are quantified by two screening parameters$kappa_e$ and $kappa_o$, which are inverse characteristic lengths that do notexist in classical elasticity. The screening parameters (and the associatedlengths) are emergent, and it is important to understand how they are selected.This Letter explores the mechanism of selection of these characteristic lengthsin two examples of strain protocols that allow analytic scrutiny.
非晶态固体对外部应变的机械响应充满了塑性事件,这些事件会在产生的位移场中产生拓扑电荷。最近的研究表明,后者会导致伴随着平移对称性和奇偶对称性破坏的屏蔽现象。屏蔽效应由两个屏蔽参数$kappa_e$和$kappa_o$量化,这两个参数是反特征长度,在经典弹性中并不存在。屏蔽参数(以及相关长度)是突现的,了解它们是如何被选择的非常重要。本信在两个应变协议的例子中探讨了这些特征长度的选择机制,以便进行分析检查。
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引用次数: 0
Influence of media disorder on DNA melting 介质紊乱对 DNA 熔化的影响
Pub Date : 2024-09-17 DOI: arxiv-2409.11030
Debjyoti Majumdar
Motivated by the fractal form of the compact chromatin in vivo, we study themelting of a lattice DNA on the infinite cluster backbone near thethree-dimensional site percolation critical point $(p_c=0.3116)$, whichexhibits fractal-like properties, using Monte Carlo simulations. Further, weextend our study to other values of atmospheric disorder $(p_cleq p leq 1)$and show how the melting temperature varies with a decrease in the availabilityof lattice sites mimicking the crowded environment inside the cell nucleus.Importantly, we found that the melting transition sharpens with a linearincrease in the denaturation temperature as we increase the degree of disorder.Two separate disorder regimes showing weak and strong effects on melting can beidentified. For simulations, we use the pruned and enriched Rosenbluth methodin conjunction with a depth-first implementation of the Leath algorithm togenerate the underlying disorder.
受体内紧密染色质分形形式的启发,我们利用蒙特卡洛模拟研究了无限簇骨架上的晶格DNA在三维位点渗滤临界点$(p_c=0.3116)$附近的熔化,该临界点表现出类似分形的性质。重要的是,我们发现随着无序度的增加,熔化转变会随着变性温度的线性上升而加剧。在模拟中,我们使用了剪枝和富集罗森布鲁方法,并结合深度优先实现的 Leath 算法来生成底层无序。
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引用次数: 0
Consensus decision making on a complete graph: complex behaviour from simple assumptions 完整图形上的共识决策:从简单假设看复杂行为
Pub Date : 2024-09-17 DOI: arxiv-2409.11475
P. Sarkanych, Yu. Sevinchan, M. Krasnytska, P. Romanczuk, Yu. Holovatch
In this paper we investigate a model of consensus decision making [HartnettA. T., et al., Phys. Rev. Lett., 2016, 116, 038701] following a statisticalphysics approach presented in [Sarkanych P., et al., Phys. Biol., 2023, 20,045005]. Within this approach, the temperature serves as a measure offluctuations, not considered before in the original model. Here, we discuss themodel on a complete graph. The main goal of this paper is to show that ananalytical description may lead to a very rich phase behaviour, which isusually not expected for a complete graph. However, the variety of individualagent (spin) features - their inhomogeneity and bias strength - taken intoaccount by the model leads to rather non-trivial collective effects. We showthat the latter may emerge in a form of continuous or abrupt phase transitionssometimes accompanied by re-entrant and order-parameter flipping behaviour. Inturn, this may lead to appealing interpretations in terms of social decisionmaking. We support analytical predictions by numerical simulation. Moreover,while analytical calculations are performed within an equilibrium statisticalphysics formalism, the numerical simulations add yet another dynamical feature- local non-linearity or conformity of the individual to the opinion of itssurroundings. This feature appears to have a strong impact both on the way inwhich an equilibrium state is approached as well as on its characteristics.
在本文中,我们按照[Sarkanych P. 等,Phys. Biol., 2023, 20,045005]中提出的统计物理学方法,研究了一个共识决策模型[HartnettA. T. 等,Phys. Rev. Lett., 2016, 116, 038701]。在这一方法中,温度被用作波动的度量,而这在最初的模型中是没有考虑到的。在此,我们讨论完整图上的模型。本文的主要目的是说明分析描述可能导致非常丰富的相位行为,而这通常是完整图所不具备的。然而,模型所考虑到的各种单体(自旋)特征--它们的不均匀性和偏置强度--导致了相当非同小可的集体效应。我们证明,后者可能以连续或突然相变的形式出现,有时还伴随着再中心和阶参数翻转行为。反过来,这可能会导致从社会决策的角度进行有吸引力的解释。我们通过数值模拟来支持分析预测。此外,虽然分析计算是在平衡统计物理学形式中进行的,但数值模拟增加了另一个动力学特征--局部非线性或个体对周围意见的顺从。这一特征似乎对接近平衡态的方式及其特征都有很大影响。
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引用次数: 0
Ising model with varying spin strength on a scale-free network: scaling functions and critical amplitude ratios 无标度网络上具有不同自旋强度的伊辛模型:标度函数和临界振幅比
Pub Date : 2024-09-17 DOI: arxiv-2409.11396
M. Krasnytska
Recently, a novel model to describe ordering in systems comprising agentswhich, although matching in their binarity (i.e., maintaining the iconic Isingfeatures of ``+'' or ``-'', ``up'' or ``down'', ``yes'' or ``no''), stilldiffering in their strength was suggested [Krasnytska et al., J. Phys.Complex., 2020, 1, 035008]. The model was analyzed for a particular case whenagents are located on sites of a scale-free network and agent strength is arandom variable governed by a power-law decaying distribution. For the annealednetwork, the exact solution shows a rich phase diagram with different types ofcritical behavior and new universality classes. This paper continues the abovestudies and addresses the analysis of scaling functions and universal criticalamplitude ratios for the model on a scale-free network.
最近,有人提出了一个新模型来描述由代理组成的系统中的有序性,这些代理虽然在二元性上相匹配(即保持 "+"或"-"、"上 "或 "下"、"是 "或 "否 "的标志性伊辛特征),但在强度上仍有差异[Krasnytska 等,J. Phys.Complex.,2020,1,035008]。该模型分析了一种特殊情况,即代理位于无标度网络的位点上,代理强度是受幂律衰减分布支配的随机变量。对于退火网络,精确解显示了丰富的相图,具有不同类型的临界行为和新的普遍性类别。本文延续了上述研究,分析了无标度网络模型的缩放函数和普遍临界振幅比。
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引用次数: 0
期刊
arXiv - PHYS - Statistical Mechanics
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