Article
Chemistry, Physical
Hyeong-Tark Han, Sungmin Joo, Takahiro Sakaue, Jae-Hyung Jeon
Summary: In a viscoelastic environment, the diffusion of self-propulsion particles with directional memory becomes non-Markovian due to the memory effect. Simulations and analytic theory show that active cross-linkers in such systems display superdiffusive and subdiffusive thermal motion, with the anomalous exponent alpha varying with time. Active subdiffusion is enhanced with more vigorous active propulsion, and eventually reaches alpha = 1/2 in the high Pe limit. The motion of active particles cross-linking a network of semiflexible filaments can be described by a fractional Langevin equation, providing insight into nonequilibrium active dynamics in intracellular viscoelastic environments.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Automation & Control Systems
Kaito Ito, Kenji Kashima
Summary: This paper addresses the optimal control problem of steering an agent population to a desired distribution over an infinite horizon. To tackle the high computational cost, the authors propose Sinkhorn MPC, an algorithm that integrates model predictive control (MPC) with the Sinkhorn algorithm using entropy regularization. The method achieves cost-effective transport in real time by simultaneously performing control and transport planning, as demonstrated in numerical examples. Furthermore, the authors reveal the global convergence property and boundedness of Sinkhorn MPC under certain assumptions on the iterations of the Sinkhorn algorithm integrated in MPC.
Article
Materials Science, Multidisciplinary
Yi-Zhou Wang, Yun-Jiang Wang
Summary: Diffusion in high-entropy alloys, which have unique structural features with randomly distributed multiprincipal elements, shows dynamic heterogeneity due to the local chemical heterogeneity induced by the random distribution of the elements. By combining molecular statics, molecular dynamics, and saddle-point sampling, we uncover and decouple the dynamic heterogeneity and reveal a wide distribution of vacancy formation energies and migration energies. We propose models that define a possible range of activation energies for lattice diffusion in high-entropy alloys, which are comparable to experimental data. We also argue that the conventional hypothesis of diffusion activation energy becomes intractable in high-entropy alloys. The atomic-scale insights into diffusion heterogeneity highlight the complexity of diffusion pathways in high-entropy alloys.
Article
Chemistry, Physical
Thomas Eisenstecken, Roland G. Winkler
Summary: This article investigates the properties of semiflexible polymers composed of active Brownian particles (ABPOs). A path integral representation of the stationary-state distribution function of ABPOs is derived, based on the Langevin equation of motion. The study focuses on the approximation of a semiflexible polymer and determines various properties such as the tangent-vector correlation function and mean-square end-to-end distance. The results show that activity-driven dynamics significantly affect the polymer conformation, providing insights into bending and torsional phenomena.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Mathematics, Applied
Pablo M. Cincotta, Claudia M. Giordano, Raphael Alves Silva, Cristian Beauge
Summary: This work demonstrates that Shannon entropy is an efficient dynamical indicator that directly measures diffusion rate and provides a time scale for instabilities in chaos. By solving Hamiltonian flow, it eliminates the need for variational equations. Comparative analysis shows that this novel technique offers more dynamical information compared to classical chaos indicators.
PHYSICA D-NONLINEAR PHENOMENA
(2021)
Article
Chemistry, Physical
Aldo Spatafora-Salazar, Steve Kuei, Lucas H. P. Cunha, Sibani Lisa Biswal
Summary: The configuration of semiflexible chains assembled from paramagnetic colloids can be controlled by external magnetic fields, resulting in coiling dynamics. The size and shape of the initial coils depend on the field parameters and chain bending stiffness. The coiling mechanisms are related to other configurational dynamics of paramagnetic chains, such as wagging and folding behaviors.
Article
Polymer Science
Di Jia, Yui Tsuji, Mitsuhiro Shibayama, Murugappan Muthukumar
Summary: When long polymers are trapped in multiple entropic traps created by hydrogels, they are frozen into a nondiffusive topologically frustrated dynamical state (TFDS). The center of mass diffusion coefficient is zero in the TFDS regime, but the segmental dynamics of the macromolecule is active. It is found that the polydispersity in the number of monomers in the entropic traps is caused by conformational fluctuations.
Article
Computer Science, Artificial Intelligence
Xovee Xu, Ting Zhong, Ce Li, Goce Trajcevski, Fan Zhou
Summary: This paper presents SI-HDGNN, a novel heterogeneous dynamical graph neural network that quantifies and predicts the long-term impact of scientific papers and individual authors. By capturing the temporal-structural characteristics of papers and authors, as well as their complex interactions and long-term dependencies, SI-HDGNN demonstrates superior performance in predicting scientific impact.
KNOWLEDGE-BASED SYSTEMS
(2022)
Article
Physics, Multidisciplinary
Meng Cai, Jiaqi Liu, Ying Cui
Summary: Entropy is a vital indicator for measuring the heterogeneity of a network. This paper introduces a novel network structure entropy called SP (series-parallel) structure entropy, which takes into account the global network topology and incorporates a measure of series-parallel structure. The results demonstrate that SP structure entropy can overcome the limitations of other structure entropy to some extent, and its validity and applicability in describing general networks are verified through simulation analysis. Additionally, the superiority of SP structure entropy for real network analysis is demonstrated by analyzing an enterprise consulting network.
Article
Chemistry, Physical
Ying Wang, Yi-wen Gao, Wen-de Tian, Kang Chen
Summary: Active polymers exhibit either complete aggregation or free distribution near a single obstacle, with no partial aggregation observed. The formation of a giant aggregate goes through a nucleation process, and the transition curve shows hysteresis-like loops. The behavior of active polymers is characterized by strong randomness.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Qianqian Liang, Lingling Guo, Jianwei Shen
Summary: This paper explores the mechanism of tacit knowledge dissemination in Newman-Watts small-world networks using the SIR model. The results indicate that the diffusion of tacit knowledge subjects and the entropy of the network play a crucial role in generating dissemination behaviors.
FRONTIERS IN PHYSICS
(2022)
Article
Chemistry, Physical
S. Mahdiyeh Mousavi, Gerhard Gompper, Roland G. Winkler
Summary: In this study, the conformational and dynamical properties of a passive polymer immersed in an active Brownian particle (ABP) bath were investigated through Langevin dynamics simulations. The behavior of the polymer varied with different ABP concentrations and activities, with observations of swelling, collapse, and reswelling depending on the conditions. The properties of the polymer embedded in an active bath differed quantitatively from those of a polymer composed of active monomers, but exhibited similar activity-dependent features.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Neurosciences
Stefan Dasbach, Tom Tetzlaff, Markus Diesmann, Johanna Senk
Summary: This study explores the effects of limited synaptic weight resolution on the dynamics of spiking neuronal networks, finding that a naive discretization may distort spike-train statistics, but preserving the mean and variance of total synaptic input currents can maintain firing statistics for certain network types. Even with a discretization of synaptic weights, substantial deviations in firing statistics may occur, emphasizing the importance of careful validation and preservation of specific network characteristics.
FRONTIERS IN NEUROSCIENCE
(2021)
Article
Physics, Fluids & Plasmas
Rafna Rafeek, Syed Yunus Ali, Debasish Mondal
Summary: We investigated a geometric Brownian information engine (GBIE) with an error-free feedback controller that converts information on trapped Brownian particles into extractable work. The outcomes depend on the reference measurement distance, feedback site, and transverse force. We determined the benchmarks for utilizing available information and the optimal operating requisites for best achievable work. The amount of extractable work is maximized when the feedback site is twice the reference measurement distance, regardless of the entropic limitation.
Article
Multidisciplinary Sciences
Nikita A. Dmitryuk, Lucia A. Mistryukova, Nikita P. Kryuchkov, Sergey A. Khrapak, Stanislav O. Yurchenko
Summary: The diffusion mobility of particles in simple fluids increases linearly on the liquid branch of the liquid-gas binodal. High-frequency spectra show solid-like oscillating behavior above the triple point. These findings have significant implications in the field of physics and chemistry.
SCIENTIFIC REPORTS
(2023)
Article
Polymer Science
Yanyan Zhu, Karim Aissou, David Andelman, Xingkun Man
Article
Chemistry, Multidisciplinary
Fushuai Wang, Mengmeng Wu, Xingkun Man, Quanzi Yuan
Article
Polymer Science
Xingkun Man, Masao Doi
Summary: The study shows that compression occurs near the midplane of the gel when it absorbs solvent, and the swelling time mainly depends on the friction constant of the gel network and the osmotic bulk modulus of the gel, rather than the shear modulus.
Article
Polymer Science
Bin Zheng, Xingkun Man, David Andelman, Masao Doi
Summary: Plasticized poly(vinyl chloride) (PVC) gels exhibit large deformations under electric fields and can be used in artificial muscles and soft robotic devices. The size of mobile free ions plays a crucial role in determining electro-induced deformation. Theoretical analysis provides new insights for the design of electro-active gel actuators.
Article
Polymer Science
Changhang Huang, Rudolf Podgornik, Xingkun Man
Summary: Selective adsorption of flexible polymers in a cylindrical pore, studied using self-consistent field theory (SCFT), shows different behaviors depending on the sequence of sticker monomers along the chain. The correlation between stickers and nonadsorbing monomers plays a crucial role in determining the adsorption efficiency of polymers.
Article
Chemistry, Multidisciplinary
Xiuyuan Yang, MengMeng Wu, Masao Doi, Xingkun Man
Summary: This study proposes a simple theory to explain the behavior of the apparent contact angle of a single-component droplet on a completely wetting substrate during evaporation. The theory takes into account the liquid evaporation and the internal flow induced by capillary and Marangoni effects, and predicts how the contact angle and relaxation time change with variations in evaporation rate, droplet size, and substrate thermal conductivity.
Article
Polymer Science
Zhaoyu Ding, Peihan Lyu, Ang Shi, Xingkun Man, Masao Doi
Summary: This study develops a diffusio-mechanical theory to explain the bending behaviors of gel sheets during liquid penetration and calculates the time dependence of two types of gels. The results show distinct differences in the bending behaviors between free gels and bound gels.
Article
Chemistry, Physical
Rongjun Hu, Lanlan Hou, Jingchong Liu, Zhimin Cui, Beibei Miao, Jie Bai, Xingkun Man, Nu Wang, Lei Jiang, Yong Zhao
Summary: Traditional porous aerogel fibrous textiles are commonly used for thermal insulation. However, heat loss through infrared radiation remains a challenge. In this study, inspired by Saharan silver ant hairs and polar bear hairs, elastic hollow porous polyurethane fibers with reflective thin aluminum platelet skin were developed. These fibers have low thermal conductivity and low infrared emissivity, making them a promising solution for high-performance thermal insulation textiles.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Peihan Lyu, Zhaoyu Ding, Xingkun Man
Summary: This study proposes a simple and effective method to accelerate the bending of gel using mechanical constraints, which has important technical applications. An exact theory of the bending dynamics of gel is proposed, providing analytical solutions for the gel curvature and relaxation time. The theory shows that increasing mechanical constraints can accelerate gel bending, bringing valuable approaches in designing soft robotics and healthcare devices.
EUROPEAN PHYSICAL JOURNAL E
(2023)
Article
Polymer Science
Yanyan Zhu, Changhang Huang, Liangshun Zhang, David Andelman, Xingkun Man
Summary: The kinetic paths of structural evolution and formation of block copolymer (BCP) particles were investigated using dynamic self-consistent field theory (DSCFT). The study revealed that the self-assembly process of BCP in a poor solvent leads to the formation of striped ellipsoids, onion-like particles, and double-spiral lamellar particles. The shape transition between onion-like particles and striped ellipsoidal ones can be reversible by controlling the temperature and solvent selectivity. Additionally, changing the intermediate bi-continuous structure into a layered one is crucial for the formation of striped ellipsoidal particles.
MACROMOLECULAR RAPID COMMUNICATIONS
(2023)
Article
Polymer Science
Mingyang Chen, Yuguo Chen, Yanyan Zhu, Ying Jiang, David Andelman, Xingkun Man
Summary: We investigated the influence of chain flexibility on the self-assembly behavior of symmetric diblock copolymers (BCPs) in thin film confinement. Using worm-like chain (WLC) self-consistent field theory, we studied the stability of parallel and perpendicular orientations of BCP lamellar phases under varying chain flexibilities. The results showed that the stability of perpendicular lamellae increases with chain rigidity, except for the case of rigid chains on rough substrates where the stability decreases. We also demonstrated the effect of substrate roughness on the critical value of substrate preference for the transition from perpendicular-to-parallel lamellar phases.
Article
Chemistry, Multidisciplinary
Yanyan Zhu, Bin Zheng, Liangshun Zhang, David Andelman, Xingkun Man
Summary: The shape and internal structure of diblock copolymer nanoparticles were investigated using the Ginzburg-Landau free-energy expansion and dynamic self-consistent field theory. The self-assembly of diblock copolymer lamellae in emulsion droplets can form either ellipsoidal or onion-like nanoparticles. The interaction parameters between the A and B monomers, polymer/solvent parameters, and nanoparticle size were found to have significant effects on the nanoparticle shape and internal morphology. These findings provide insights into the formation mechanism and control methods of nanoparticles.
Article
Chemistry, Physical
Mengmeng Wu, Masao Doi, Xingkun Man
Summary: Recent experiments have shown that the dynamics of the contact angle of a droplet of a binary solution evaporating on a super wetting surface can be quite complex, with the angle typically decreasing slightly, then increasing, and finally decreasing again. Under certain conditions, the contact angle may remain constant for a period of time during evaporation. This theory explains the experimental results reported previously.
Article
Chemistry, Physical
Yanqing Wen, Paul Y. Kim, Shaowei Shi, Dong Wang, Xingkun Man, Masao Doi, Thomas P. Russell
