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Injection of a Self-propelled Polymer into a Small Circular Cavity

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Chinese Journal of Polymer Science 2024年第6期42卷 886-894页

作者： Chao Wang Yan-Li Zhou Xiao Yang Fan Wu meng-bo luo Department of Physics Taizhou UniversityTaizhou318000China Department of Physics Zhejiang UniversityHangzhou310027China

The injection of a polymer chain into a small circular cavity under tangential self-propelled force is studied by using Langevin dynamics *** indicate that the injection dynamics of the active polymer shows strong correlation with the polymer conformation inside the cavity depending on the polymer rigidity(k_(b)).The injection timeτvaries nonmonotonously with increasing k_(b),and reaches its minimum at k_(b)^(*).When k_(b) is small(k_(b)≪k_(b)^(*)),the polymer is nearly random coil in the cavity,and spends a long time at the final stage of the injection process due to the large repulsion between monomers inside the *** k_(b) is moderate(k_(b)∼k_(b)^(*)),the part of polymer inside the cavity forms spiral configuration under the tangential active force,and the whole polymer moves synchronously with a constant velocity during the injection process,leading to a small injection *** k_(b) is large(k_(b)≫k_(b)^(*)),the polymer is nearly straight at the initial stage of the injection process,and takes a long time to bend itself,leading to a large injection time.

关键词： Active Polymer Injection Dynamics Simulation

Effect of Solvent Viscosity on the Driven Translocation of Charged Polymers through Nanopores

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Chinese Journal of Polymer Science 2022年第5期40卷 532-540页

作者： Han-Xian Hu Fan Wu Xiao Yang Chao Wang meng-bo luo Department of Physics Zhejiang UniversityHangzhou 310027China Department of Physics Taizhou UniversityTaizhou 318000China

The effect of viscosity of non-translocated(cis)side,ηcis,on the driven translocation of charged polymers through nanopores is investigated using Langevin dynamics *** show that the translocation of polymer chains can be regulated by changingη***ηcis decreases,the translocation timeτdecreases,and the exponentδin the scaling relation with driving force f,τ~f-δ,increases whereasαin the scaling relation with chain length N,τ~Nα,***,the conformation of the polymer chain at the cis side gravitates towards an equilibrium *** results imply a relationship between the translocation and the conformation of polymer *** verify this hypothesis,we change the conformation of polymer by artificially relaxing the translocating polymer via adding an additional relaxation time in the simulation.A sufficient large additional relaxation time for the translocating polymer chain at the cis side only or at both cis and trans sides results in exponentsαandδboth close to 1,in contrast toα=1.36 andδ=0.8 for the translocation without the additional *** additional relaxation for the polymer chain at the cis side accelerates the translocation and plays a more important role than that for polymer chain at the trans side.

关键词： Polymer Nanopore Translocation Langevin dynamics simulation

Translocation time of a polymer chain through an energy gradient nanopore

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Frontiers of physics 2017年第3期12卷 157-165页

作者： meng-bo luo Shuang Zhang Fan Wu Li-Zhen Sun Department of Physics Zhejiang University Hangzhou 310027 China College of Science Qinzhou University Qinzhou 535011 China Department of Applied Physics Zhejiang University of Technology Hangzhou 310023 China

The translocation time of a polymer chain through an interaction energy gradient nanopore was studied by Monte Carlo simulations and the Fokker-Planck equation with double-absorbing boundary condi- tions. both the simulation and calculation revealed three different behaviors for polymer translocation. These behaviors can be explained qualitatively from free-energy landscapes obtained for polymer translocation at different parameters. Results show that the translocation time of a polymer chain through a nanopore can be tuned by suitably designing the interaction energy gradient.

关键词： polymer chain translocation time nanopore Monte Carlo simulation Fokker-Planck equation

Translocation of a Self-propelled Polymer through a Narrow Pore

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维普期刊数据库

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Chinese Journal of Polymer Science 2022年第12期40卷 1670-1678,I0010页

作者： Chao Wang Han-Xian Hu Yan-Li Zhou Bin Zhao meng-bo luo Department of Physics Taizhou UniversityTaizhou 318000China Department of Physics Zhejiang UniversityHangzhou 310027China

Recent studies indicate that active polymers often show curious conformational and dynamical ***,rigid polymers with self-propelled tangential forces can move directionally and even push a *** by this,the tran slocation of an active bead-spring polymer through a narrow pore is studied simulationly in this *** bead of the polymer is propelled by a tangential active force(f) along the contour of the *** results show that the active polymer translocates through the pore in a railway-motion *** tran slocation velocity v of the polymer is determined only by f,resulting that the translocation time(r) as a function of the polymer length(N)and the active force fcan be expressed as τ∝ Nf,which is independent of the rigidity of the *** results indicate that the tran slocation dynamics of active polymers is quite different from that of passive polymers.

关键词： Active polymer Translocation Dynamics Simulation

Simulation Study on the Extension of Semi-flexible Polymer Chains in Cylindrical Channel

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Chinese Journal of Polymer Science 2019年第12期37卷 1290-1297,I0008页

作者： Yu Fu Fan Wu Jian-Hua Huang Ying-Cai Chen meng-bo luo Zhejiang Province Key Laboratory of Quantum Technology and Device Department of PhysicsZhejiang UniversityHangzhou 310027China Department of Chemistry Zhejiang Sci-Tech UniversityHangzhou 310018China Department of Physics Taizhou UniversityTaizhou 318000China

The scaling relations among the mean end-to-end distance of polymer along the channel,the polymer length N,and the effective diameter of channel De were investigated for flexible and semi-flexible polymer chains confined in long cylindrical *** the flexible polymer chain,scaling relation~NDe–0.7 was found in the classic de Gennes regime at lp2/bbond length,and Rg the radius of gyration of *** the semi-flexible polymer,~NDe–1 in the transition regime lp1)and~De–0.7 in the classic de Gennes regime at larger De>xlp were *** simulation results revealed that the scaling relation in the transition regime was due to the rod-like behavior of the semi-flexible polymer in the small regime lp

关键词： Semi-flexible polymer Cylindrical channel Conformation Scaling relation Monte Carlo simulation

Identifying Conformation States of Polymer through Unsupervised Machine Learning

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Chinese Journal of Polymer Science 2020年第12期38卷 1403-1408页

作者： Li-Wang Sun Hong Li Xiao-Qin Zhang He-Bei Gao meng bo luo College ofComputer Science and Atial Ielligence Wenzhou UniversityWenzhou 325035China Department of Information Wenzhou PolytechnicWenzhou 325035China Department of Physics Zhejiang UniversityHangzhou 310027China

The study of the critical behavior is important for classifying different configuration ***,machine learning is capable of discriminating polymer states in the presence of human ***,we introduce an unsupervised approach based on the self-organizing map(SOM)and the autoencoder network to locate critical phase transitions from raw configuration without the necessity for manual feature ***-dimensional configuration data can be encoded to low-dimensional codes by employing neural network of multilayer restrictive boltzmann machines and the intermediate code can also be reconstructed to high-dimensional input *** then the codes are used to cluster different configuration states for polymers adsorbed on the homogeneous and the stripe-patterned surface by the SOM network and K-Means *** work presents an unusual tool to identify polymer configuration.

关键词： Phase transition Machine learning Clustering Polymer Configuration

Computer Simulation Study on Adsorption and Conformation of Polymer Chains Driven by External Force

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Chinese Journal of Polymer Science 2021年第2期39卷 258-266,I0009页

作者： He-Bei Gao Hong Li Xiao-Qin Zhang Xiang-Hong Wang Chao-Yang Li meng-bo luo Department of Information Wenzhou PolytechnicWenzhou 325035China College of Computer Science and Artificial Intelligence Wenzhou UniversityWenzhou 325035China Department of Physics Hangzhou Normal UniversityHangzhou 310036China Department of Physics Zhejiang UniversityHangzhou 310027China

In this work,Monte Carlo simulations are used to study the critical adsorption behaviors of flexible polymer chains under the action of an external driving force F parallel to an attractive flat *** critical adsorption temperature Tc decreases linearly with increasing F,indicating that the driving force suppresses the adsorption of *** conformation of polymer is also affected by the driving ***,the effect of F is dependent on the competition between the driving force and *** strong force or at low temperature,the polymer is stretched along the direction of the force,while under weak force or at high temperature,the polymer is not *** the force is comparable to the temperature,the polymer may be stretched perpendicular to the driving force,and below Tc,we observe conformational transitions from parallel to perpendicular and again to parallel by decreasing the *** found that the perpendicular stretched conformation leads the polymer chain to synchronously move along the direction of the driving ***,the conformational transitions are attributed to the competition and cooperation between the driving force and the temperature.

关键词： Critical adsorption Polymer Driving force Conformation Monte Carlo simulation

Driven injection of a polymer into a spherical cavity:A Langevin dynamics simulation study

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Chinese Physics B 2021年第10期30卷 645-650页

作者： Chao Wang Fan Wu Xiao Yang Ying-Cai Chen meng-bo luo Department of Physics Taizhou UniversityTaizhou 318000China Department of Physics Zhejiang UniversityHangzhou 310027China

The injection of a self-avoiding flexible polymer into a spherical cavity under a driving force is studied by using Langevin dynamics *** given polymer length(N)and driving force(f),the polymer can be completely injected into the cavity only when the radius of the cavity is larger than a transition radius(ReC).The dependence of ReC on N and f can be described by a scaling relation ReC∝N ^(1/3) f−δ.The value ofδchanges from 4/15 in the small f region to 1/6 in the moderate f region due to the screening of the excluded-volume interaction between *** find the complete injection time(τ)decreases monotonously with increasing the cavity radius or decreasing the polymer *** simulation results are in good agreement with the theoretical predictions from the free energy analysis and a simple kinetic model.

关键词： polymer injection simulation free energy

Simulation of the Critical Adsorption of Semi-Flexible Polymers

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Chinese Physics Letters 2019年第9期36卷 82-86页

作者： Xiao Yang Fan Wu Dong-Dong Hu Shuang Zhang meng-bo luo Department of Physics Zhejiang UniversityHangzhou 310027 College of Science Beibu Gulf UniversityQinzhou 535011

The critical adsorption of semi-flexible *** chains on attractive surfaces is studied using Monte Carlo *** results reveal that the critical adsorption point of a free polymer chain is the same as that of an end-grafted *** the end-grafted polymer,we find that the finite-size scaling relation and the maximum fluctuation of adsorbed monomers are equivalent in estimating the critical adsorption *** effect of chain stiffness on the critical adsorption is also *** surface attraction strength for the critical adsorption of semi-flexible polymer chain decreases exponentially with an increase in the chain stiffness;In other words,lower adsorption energy is needed to adsorb a stiffer polymer *** result is explained from the viewpoint of the free energy profile for the adsorption.

关键词： Free energy