Tootfinder

Comprehensive Structural Characterization of Charged Polymers Involved in Moisture-Driven Direct Air Capture
Gayathri Yogaganeshan, Rui Zhang, Raimund Fromme, Sharang Sharang, Jamie Ford, Douglas M Yates, Marlene Velazco Medel, Martin Uher, Justin Flory, Jennifer Wade, Petra Fromme
https://arxiv.org/abs/2508.11809

Comprehensive Structural Characterization of Charged Polymers Involved in Moisture-Driven Direct Air Capture
The rise in atmospheric carbon dioxide (CO2) levels has led to urgent calls for effective carbon capture methods, with direct air capture (DAC) emerging as a promising solution. This study focuses on the structural characterization of commercially available alkaline anion-exchange membrane (AEM) polymers, Fumasep FAA-3 and IRA 900, for use in low-energy, moisture-driven DAC applications. A combination of X-ray diffraction, small and wide-angle X-ray scattering (SAXS/WAXS), atomic force microsco…

Entropy production in active Rouse polymers
Sandipan Dutta
https://arxiv.org/abs/2506.12013 https://arxiv.org/pdf/2506.12013

Entropy production in active Rouse polymers
Active polymers are the archetype of nonequilibrium viscoelastic systems that constantly consume energy to produce motion. The activity of many biopolymers is essential to many life processes. The entropy production rate quantifies their nonequilibrium nature through the breaking of the time reversal symmetry. In this work we build an analytical model of active polymers as active Rouse polymers where the beads are active Ornstein Uhlenbeck particles and calculate their entropy production. The i…

Mechanically Interlocked Polymers in Dilute Solution under Shear and Extensional Flows: A Brownian Dynamics Study
Ali Seyedi, Alex Albaugh
https://arxiv.org/abs/2506.13968

Mechanically Interlocked Polymers in Dilute Solution under Shear and Extensional Flows: A Brownian Dynamics Study
Mechanically interlocked polymers (MIPs) are a novel class of polymer structures in which the components are connected by mechanical bonds instead of covalent bonds. We measure the single-molecule rheological properties of polyrotaxanes, daisy chains, and polycatenanes under steady shear and steady uniaxial extension using coarse-grained Brownian dynamics simulations with hydrodynamic interactions. We obtain key rheological features, including tumbling dynamics, molecular extension, stress, and…

Computing and Bounding Equilibrium Concentrations in Athermic Chemical Systems
Hamidreza Akef, Minki Hhan, David Soloveichik
https://arxiv.org/abs/2507.12699

Computing and Bounding Equilibrium Concentrations in Athermic Chemical Systems
Computing equilibrium concentrations of molecular complexes is generally analytically intractable and requires numerical approaches. In this work we focus on the polymer-monomer level, where indivisible molecules (monomers) combine to form complexes (polymers). Rather than employing free-energy parameters for each polymer, we focus on the athermic setting where all interactions preserve enthalpy. This setting aligns with the strongly bonded (domain-based) regime in DNA nanotechnology when stran…

Tunable Coloration in Core-Shell Plasmonic Nanopixels Based on Organic Conductive Polymers: A First-Principles and FDTD Study
Md. Shariful Islam, Ahmed Zubair
https://arxiv.org/abs/2506.07544

Tunable Coloration in Core-Shell Plasmonic Nanopixels Based on Organic Conductive Polymers: A First-Principles and FDTD Study
From raindrops to planets, the scattering of electromagnetic fields introduces exciting phenomena that can be utilized for display devices. Here, we designed an electrochromic nanoparticle on mirror (eNPoM) structure with core-shell geometries for low-power nanoscale pixels with rapid coloration abilities based on four electrochromic organic conducting polymers utilizing the first-principles calculations based on density functional theory (DFT) and the finite-difference time-domain (FDTD) simul…

Mechanism of Conductivity Enhancement of Polymers Employing Microbubble Lithography
Anand Dev Ranjan, Dhananjay Mahapatra, Partha Mitra, Ayan Banerjee
https://arxiv.org/abs/2506.09957

Mechanism of Conductivity Enhancement of Polymers Employing Microbubble Lithography
The pursuit of green methodologies for fabricating optoelectronic devices necessitates the adoption of self-assembly-based strategies to engineer efficient and sustainable platforms. Microbubble lithography (MBL) stands out as a directed self-assembly technique, enabling real-time micropatterning of conductive structures. Notably, this approach achieves significant enhancements in the conductivity of patterned polymers without requiring external dopants. However, the underlying mechanisms drivi…

The effects of knot topology on the collapse of active polymers
Davide Breoni, Emanuele Locatelli, Luca Tubiana
https://arxiv.org/abs/2507.08391 https://…

The effects of knot topology on the collapse of active polymers
We use numerical simulations to study tangentially active flexible ring polymers with different knot topologies. Simple, unknotted active rings display a collapse transition upon increasing the degree of polymerization. We find that topology has a significant effect on the polymer size at which the collapse takes place, with twist knots collapsing earlier than torus knots. Increasing knot complexity further accentuates this difference, as the collapse point of torus knots grows linearly and tha…

#Wasserstoff gilt als Hoffnungsträger für die #Dekarbonisierung, doch beim Transport durch bestehende #Erdgasleitungen gibt es

Pipelines for hydrogen transport: A review of integrity and safety challenges
The European Commission highlights hydrogen as an important energy carrier and chemical feedstock that could help decarbonise sectors otherwise deemed hard-to-abate. Europe’s existing natural gas grid is seen as a promising asset to repurpose for the transportation of hydrogen. This technical report provides a literature review of hydrogen's impact on pipeline materials, particularly steel and polymers. Hydrogen is known to reduce the ductility, fracture toughness, and the fatigue crack growt…

Interfacial Entanglement-Induced Time-Dependent Solidification of Polymeric Fluids
Jaewon Shim (Seoul National University), Manhee Lee (Chungbuk National University), Wonho Jhe (Seoul National University)
https://arxiv.org/abs/2507.08559

Interfacial Entanglement-Induced Time-Dependent Solidification of Polymeric Fluids
The structure of polymers at solid interfaces evolves over time, but the corresponding changes in their rheological properties remain poorly understood. Here, using a home-built quartz tuning fork atomic force microscope-based nano-rheometer, we directly measure the time-dependent viscoelasticity of the interfacial fluid. The bottommost layer, closest to the substrate, undergoes solidification over 10 hours, exhibiting an approximately five-fold increase in storage modulus and a two-fold increa…

A Hereditary Integral, Transient Network Approach to Modeling Permanent Set and Viscoelastic Response in Polymers
Stephen T. Castonguay, Joshua B. Fernandes, Michael A. Puso, Sylvie Aubry
https://arxiv.org/abs/2506.20773

A Hereditary Integral, Transient Network Approach to Modeling Permanent Set and Viscoelastic Response in Polymers
An efficient numerical framework is presented for modeling viscoelasticity and permanent set of polymers. It is based on the hereditary integral form of transient network theory, in which polymer chains belong to distinct networks each with different natural equilibrium states. Chains continually detach from previously formed networks and reattach to new networks in a state of zero stress. The free energy of these networks is given in terms of the deformation gradient relative to the configurat…

Strong disorder for Stochastic Heat Flow and 2D Directed Polymers
Quentin Berger, Francesco Caravenna, Nicola Turchi
https://arxiv.org/abs/2508.02478 https://

Strong disorder for Stochastic Heat Flow and 2D Directed Polymers
The critical 2D Stochastic Heat Flow (SHF) is a universal process of random measures, arising as the scaling limit of two-dimensional directed polymer partition functions (or solutions to the stochastic heat equation with mollified noise) under a critical renormalisation of disorder strength. We investigate the SHF in the strong disorder (or super-critical) regime, proving that it vanishes locally with an optimal doubly-exponential decay rate in the disorder intensity. We also establish a stren…

This https://arxiv.org/abs/2308.16070 has been replaced.
initial toot: https://mastoxiv.page/@a…

Giant piezoelectricity driven by Thouless pump in conjugated polymers
Piezoelectricity of organic polymers has attracted increasing interest because of several advantages they exhibit over traditional inorganic ceramics. While most organic piezoelectrics rely on the presence of intrinsic local dipoles, a highly nonlocal electronic polarization can be foreseen in conjugated polymers, characterised by delocalized and highly responsive $π$-electrons. These 1D systems represent a physical realization of a Thouless pump, a mechanism of adiabatic charge transport of t…

Replica RISM molecular solvation theory for electric double layer in nanoporous materials
A. Kovalenko
https://arxiv.org/abs/2506.14616 https://

Replica RISM molecular solvation theory for electric double layer in nanoporous materials
Applications of 3D-RISM-KH molecular solvation theory range from solvation energy of small molecules to phase behavior of polymers and biomolecules. It predicts the molecular mechanisms of chemical and biomolecular systems. Replica RISM-KH-VM molecular solvation theory predicts and explains the structure, thermodynamics, and electrochemistry of electrolyte solutions sorbed in a nanoporous material. It was tested on nanoporous carbon supercapacitors with aqueous electrolyte and nanoporous electr…

Entropy of self-avoiding branching polymers: mean field theory and Monte Carlo simulations
Davide Marcato, Achille Giacometti, Amos Maritan, Angelo Rosa
https://arxiv.org/abs/2506.22315

Entropy of self-avoiding branching polymers: mean field theory and Monte Carlo simulations
We study the statistics of branching polymers with excluded-volume interactions, by modeling them as single self-avoiding trees on a generic regular periodic lattice with coordination number $q$. Each lattice site can be occupied at most by one tree node, and the fraction of occupied sites can vary from dilute to dense conditions. By adopting the statistics of directed trees as a proxy for that of undirected trees without internal loops and by an exact mapping of the model into a field theory, …

Very high-order accurate finite volume scheme for the streamfunction-vorticity formulation of incompressible fluid flows with polygonal meshes on arbitrary curved boundaries
Ricardo Costa (Institute for Polymers and Composites, University of Minho, Azur\'em Campus, 4804-058 Guimar\~aes, Portugal, Department of Polymer Engineering, University of Minho, Azur\'em Campus, 4804-058 Guimar\~aes, Portugal), St\'ephane Clain (Centre of Mathematics, University of Coimbra, 3000-143 C…

Very high-order accurate finite volume scheme for the streamfunction-vorticity formulation of incompressible fluid flows with polygonal meshes on arbitrary curved boundaries
Conventional mathematical models for simulating incompressible fluid flow problems are based on the Navier-Stokes equations expressed in terms of pressure and velocity. In this context, pressure-velocity coupling is a key issue, and countless numerical techniques and methods have been developed over the decades to solve these equations efficiently and accurately. In two dimensions, an alternative approach is to rewrite the Navier-Stokes equations regarding two scalar quantities: the streamfunct…

Challenges and opportunities in piezoelectric polymers: Effect of oriented amorphous fraction in ferroelectric semicrystalline polymers
Guanchun Rui, Elshad Allahyarov, Zhiwen Zhu, Yanfei Huang, Thumawadee Wongwirat, Qin Zou, Philip L. Taylor, Lei Zhu
https://arxiv.org/abs/2506.18722

Challenges and opportunities in piezoelectric polymers: Effect of oriented amorphous fraction in ferroelectric semicrystalline polymers
Despite extensive research on piezoelectric polymers since the discovery of piezoelectric poly(vinylidene fluoride) (PVDF) in 1969, the fundamental physics of polymer piezoelectricity has remained elusive. Based on the classic principle of piezoelectricity, polymer piezoelectricity should originate from the polar crystalline phase. Surprisingly, the crystal contribution to the piezoelectric strain coefficient d31 is determined to be less than 10%, primarily owing to the difficulty in changing t…

Bridging Machine Learning and Glassy Dynamics Theory for Predictive Polymer Modeling
Anh D. Phan, Ngo T. Que, Nguyen T. T. Duyen, Phan Thanh Viet, Quach K. Quang, Baicheng Mei
https://arxiv.org/abs/2507.06194

Bridging Machine Learning and Glassy Dynamics Theory for Predictive Polymer Modeling
Understanding and predicting the glassy dynamics of polymers remain fundamental challenges in soft matter physics. While the Elastically Collective Nonlinear Langevin Equation (ECNLE) theory has been successful in describing relaxation dynamics, its practical application to polymers depends on a thermal mapping to connect theory with experiment, which in turn requires detailed thermodynamic data. Such data may not be available for chemically complex or newly designed polymers. In this work, we …

The invariant rate of energy extraction by polymers in turbulence
Alessandro Chiarini, Rahul K. Singh, Marco E. Rosti
https://arxiv.org/abs/2507.21510 https://

The invariant rate of energy extraction by polymers in turbulence
Polymeric turbulence, flows of fluids with dilute polymer additives at high Reynolds numbers, exhibits striking deviations from the Kolmogorovean behaviour of Newtonian turbulence. Recent experiments as well as simulations have uncovered a robust self-similar energy spectrum scaling as $k^{-2.3}$, in sharp contrast to the $k^{-5/3}$ scaling of Newtonian flows. The origin of this novel scaling, however, has remained unresolved. In this work, we uncover the underlying physical mechanism responsib…

Breaking Peierls theorem in polyacetylene chains via topological design
Xinnan Peng, Marco Lozano, Jie Su, Lulu Wang, Diego Soler-Polo, Thomas Tuloup, Junting Wang, Shaotang Song, Ming Wah Wong, Jiangbin Gong, Junzhi Liu, Franz J Giessibl, Pavel Jel\'inek, Jiong Lu
https://arxiv.org/abs/2508.02365

Breaking Peierls theorem in polyacetylene chains via topological design
Peierls theorem postulates that a one-dimensional (1D) metallic chain must undergo a metal-to-insulator transition via lattice distortion, resulting in bond length alternation (BLA) within the chain. The validity of this theorem has been repeatedly proven in practice, as evidenced by the absence of a metallic phase in low-dimensional atomic lattices and electronic crystals, including conjugated polymers, artificial 1D quantum nanowires, and anisotropic inorganic crystals. Overcoming this transi…

Active Extensile Hydrogels Actuated by Living Polymers of the Bacterial Cytokinetic Protein FtsZ
Mikheil Kharbedia, Diego Herr\'aez-Aguilar, Macarena Calero, Horacio L\'opez-Men\'endez, Clara Luque-Rioja, Lara H. Moleiro, Cruz Santos, Pilar Lillo, Francisco Monroy
https://arxiv.org/abs/2508.04431

Active Extensile Hydrogels Actuated by Living Polymers of the Bacterial Cytokinetic Protein FtsZ
Active materials capable of autonomously modulating their mechanical properties are foundational to the development of next-generation soft technologies. Here, we introduce a novel class of extensible biohybrid hydrogels powered by living polymers of the bacterial cytokinetic protein FtsZ. When embedded within a polyacrylamide (PA) matrix, GTP-fueled FtsZ filaments self-organize into treadmilling structures that generate internal extensible stresses, driving reversible softening, swelling, and …

Optical properties of emeraldine salt polymers from ab initio calculations: comparison with recent experimental data
Renato Colle, Pietro Parruccini, Andrea Benassi, Carlo Cavazzoni
https://arxiv.org/abs/2508.01757

Optical properties of emeraldine salt polymers from ab initio calculations: comparison with recent experimental data
We present absorption coefficient α(ω), transverse dielectric function ε(ω), optical conductivity σ(ω), and reflectance R(ω) calculated for an emeraldine salt conducting polymer in its crystalline three-dimensional polaronic structure. We utilize Kohn-Sham DFT electronic wavefunctions and energies implemented in the expression of the macroscopic transverse dielectric function in the framework of the band theory without the electron-hole interaction. Contributions of intra-band transition…

The discrete periodic Pitman transform: invariances, braid relations, and Burke properties
Eva R. Engel, Benjamin Jasper Kra-Caskey, Oleksandr Lazorenko, Caio Hermano Maia de Oliveira, Evan Sorensen, Ivan Wong, Ryan Xu, Xinyi Zhang
https://arxiv.org/abs/2508.05603

The discrete periodic Pitman transform: invariances, braid relations, and Burke properties
We develop the theory of the discrete periodic Pitman transform, first introduced by Corwin, Gu, and the fifth author. We prove that, for polymers in a periodic environment, single-path and multi-path partition functions are preserved under the action of this transform on the weights in the polymer model. As a corollary, we prove that the discrete periodic Pitman transform satisfies the same braid relations that are satisfied for the full-line Pitman transform, shown by Biane, Bougerol, and O'C…

Primitive chain network simulations of the creep of entangled polymers
Yuichi Masubuchi, Giovanni Ianniruberto, Giuseppe Marrucci
https://arxiv.org/abs/2508.01526 https://

Primitive chain network simulations of the creep of entangled polymers
Although the behavior of entangled polymers in startup shear flows with constant shear rates has been thoroughly investigated, the response under creep has not been frequently considered. In this study, primitive chain network simulations, based on a multi-chain sliplink model, are modified so as to describe creep experiments. Creep simulations are compared to a literature dataset of an entangled polybutadiene solution, and qualitative agreement is found in the nonlinear range, i.e., under larg…

A modified Levenberg-Marquardt method for estimating the elastic material parameters of polymer waveguides using residuals between autocorrelated frequency responses
Dominik Itner, Dmitrij Dreiling, Hauke Gravenkamp, Bernd Henning, Carolin Birk
https://arxiv.org/abs/2507.01706

A modified Levenberg-Marquardt method for estimating the elastic material parameters of polymer waveguides using residuals between autocorrelated frequency responses
In this contribution, we address the estimation of the frequency-dependent elastic parameters of polymers in the ultrasound range, which is formulated as an inverse problem. This inverse problem is implemented as a nonlinear regression-type optimization problem, in which the simulation signals are fitted to the measurement signals. These signals consist of displacement responses in waveguides, focusing on hollow cylindrical geometries to enhance the simulation efficiency. To accelerate the opti…

Machine Learning Workflow for Analysis of High-Dimensional Order Parameter Space: A Case Study of Polymer Crystallization from Molecular Dynamics Simulations
Elyar Tourani, Brian J. Edwards, Bamin Khomami
https://arxiv.org/abs/2507.17980

Machine Learning Workflow for Analysis of High-Dimensional Order Parameter Space: A Case Study of Polymer Crystallization from Molecular Dynamics Simulations
Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define nucleated or crystallized regions. Aside from sensitivity to cut-off, each of these OPs introduces its own systematic biases. In this study, an integrated machine learning workflow is presented to accurately quantify crystallinity in polymeric systems using atomistic molecular dynamics data. Each atom is…

Replaced article(s) found for cond-mat.stat-mech. https://arxiv.org/list/cond-mat.stat-mech/new
[1/1]:
- Random Polymers and Generalized Urn Processes
Simone Franchini, Riccardo Balzan

Elastic turbulence in highly entangled polymers and wormlike micelles
Theo A. Lewy, Suzanne M. Fielding, Peter D. Olmsted, Rich R. Kerswell
https://arxiv.org/abs/2506.07146

Elastic turbulence in highly entangled polymers and wormlike micelles
We show theoretically that an initially homogeneous planar Couette flow of a concentrated polymeric fluid is linearly unstable to the growth of two-dimensional (2D) perturbations, within two widely used constitutive models: the Johnson-Segalman model and the Rolie-Poly model. We perform direct nonlinear simulations of both models in 2D to show that this instability leads to a state of elastic turbulence comprising several narrow shear bands that dynamically coalesce, split and interact. Importa…

Holographic hyperbranched polymer nanocomposite grating with exceptionally large neutron scattering length density modulation amplitudes
Elhoucine Hadden, J\"urgen Klepp, Martin Fally, Tobias Jenke, Joachim Kohlbrecher, Tomoko Shimada, Asako Narita, Juro Oshima, Yasuo Tomita
https://arxiv.org/abs/2507.00922

Holographic hyperbranched polymer nanocomposite grating with exceptionally large neutron scattering length density modulation amplitudes
Nanoparticle-polymer composite gratings incorporating ultrahigh-refractive-index hyperbranched polymers as organic nanoparticles have demonstrated exceptional light optical properties, yet their potential for neutron diffraction applications remains unexplored. We report on the neutron optical properties of a holographically structured hyperbranched-polymer-dispersed nanocomposite grating at a quasi-monochromatic neutron wavelength of 2 nm. We show that neutron diffraction measurements performe…

Conformational properties of strictly two-dimensional equilibrium polymers
J. P. Wittmer, A. Cavallo, A. Johner
https://arxiv.org/abs/2507.00649 https://…

Conformational properties of strictly two-dimensional equilibrium polymers
Two-dimensional monodisperse linear polymer chains are known to adopt for sufficiently large chain lengths $N$ and surface fractions $ϕ$ compact configurations with fractal perimeters. We show here by means of Monte Carlo simulations of reversibly connected hard disks (without branching, ring formation and chain intersection) that polydisperse self-assembled equilibrium polymers with a finite scission energy $E$ are characterized by the same universal exponents as their monodisperse peers. Con…

Exact solution of asymmetric gelation between three walks on the square lattice
Aleksander L Owczarek, Andrew Rechnitzer
https://arxiv.org/abs/2507.17111 https://

Exact solution of asymmetric gelation between three walks on the square lattice
We find and analyse the exact solution of a model of three different polymers with asymmetric contact interactions in two dimensions, modelling a scenario where there are different types of polymers involved. In particular, we find the generating function of three directed osculating walks in star configurations on the square lattice with two interaction Boltzmann weights, so that there is one type of contact interaction between the top pair of walks and a different interaction betw…

Reducing Data Requirements for Sequence-Property Prediction in Copolymer Compatibilizers via Deep Neural Network Tuning
Md Mushfiqul Islam, Nishat N. Labiba, Lawrence O. Hall, David S. Simmons
https://arxiv.org/abs/2507.21902

Reducing Data Requirements for Sequence-Property Prediction in Copolymer Compatibilizers via Deep Neural Network Tuning
Synthetic sequence-controlled polymers promise to transform polymer science by combining the chemical versatility of synthetic polymers with the precise sequence-mediated functionality of biological proteins. However, design of these materials has proven extraordinarily challenging, because they lack the massive datasets of closely related evolved molecules that accelerate design of proteins. Here we report on a new Artifical Intelligence strategy to dramatically reduce the amount of data neces…

Extensional rheology of dilute suspensions of spheres in polymeric liquids
Arjun Sharma, Donald L. Koch
https://arxiv.org/abs/2507.23114 https://arxiv.org/…

Extensional rheology of dilute suspensions of spheres in polymeric liquids
The extensional rheology of dilute suspensions of spheres in viscoelastic or polymeric liquids is studied computationally. At low polymer concentration (c) and Deborah number (De), a wake of highly stretched polymers forms downstream of the particles due to larger local velocity gradients than the imposed flow, indicated by a positive deviation in local De. This increases the suspension's extensional viscosity with time and De for De less than 0.5. When De exceeds 0.5 (the coil-stretch transiti…

This https://arxiv.org/abs/2410.12693 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_mat…

Area measures and branched polymers in supercritical Liouville quantum gravity
We study Liouville quantum gravity (LQG) in the supercritical (a.k.a. strongly coupled) phase, which has background charge $Q \in (0,2)$ and central charge $\mathbf{c}_{\mathrm{L}} = 1+6Q^2 \in (1,25)$. Recent works have shown how to define LQG in this phase as a planar random geometry associated with a variant of the Gaussian free field, which exhibits "infinite spikes." In contrast, a number of results from physics, dating back to the 1980s, suggest that supercritical LQG surfaces should beha…

polyBART: A Chemical Linguist for Polymer Property Prediction and Generative Design
Anagha Savit, Harikrishna Sahu, Shivank Shukla, Wei Xiong, Rampi Ramprasad
https://arxiv.org/abs/2506.04233

polyBART: A Chemical Linguist for Polymer Property Prediction and Generative Design
Designing polymers for targeted applications and accurately predicting their properties is a key challenge in materials science owing to the vast and complex polymer chemical space. While molecular language models have proven effective in solving analogous problems for molecular discovery, similar advancements for polymers are limited. To address this gap, we propose polyBART, a language model-driven polymer discovery capability that enables rapid and accurate exploration of the polymer design …

Re-experiment Smart: a Novel Method to Enhance Data-driven Prediction of Mechanical Properties of Epoxy Polymers
Wanshan Cui, Yejin Jeong, Inwook Song, Gyuri Kim, Minsang Kwon, Donghun Lee
https://arxiv.org/abs/2506.01994

Re-experiment Smart: a Novel Method to Enhance Data-driven Prediction of Mechanical Properties of Epoxy Polymers
Accurate prediction of polymer material properties through data-driven approaches greatly accelerates novel material development by reducing redundant experiments and trial-and-error processes. However, inevitable outliers in empirical measurements can severely skew machine learning results, leading to erroneous prediction models and suboptimal material designs. To address this limitation, we propose a novel approach to enhance dataset quality efficiently by integrating multi-algorithm outlier …

Sharp moment and upper tail asymptotics for the critical $2d$ Stochastic Heat Flow
Shirshendu Ganguly, Kyeongsik Nam
https://arxiv.org/abs/2507.22029 https://

Sharp moment and upper tail asymptotics for the critical $2d$ Stochastic Heat Flow
While $1+1$ dimensional growth models in the Kardar-Parisi-Zhang universality class have witnessed an explosion of activity, higher dimensional models remain much less explored. The special case of $2+1$ dimensions is particularly interesting as it is, in physics parlance, neither ultraviolet nor infrared super-renormalizable. Canonical examples include the stochastic heat equation (SHE) with multiplicative noise and directed polymers. The models exhibit a weak to strong disorder transition as …

Influence of Dispersity on the Relaxation of Entangled Polymers from Molecular Dynamics Simulations
Taofeek Tejuosho, Janani Sampath
https://arxiv.org/abs/2507.20935 https://

Influence of Dispersity on the Relaxation of Entangled Polymers from Molecular Dynamics Simulations
Nonequilibrium molecular dynamics simulations are used to study the deformation behavior of disperse polymer melts by tracking test chains of length N = Mw, the weight average molecular weight, in melts of varying dispersity. At high strain rates, stress decreases with increasing dispersity up to the critical stretch ratio. After flow cessation, relaxation is anisotropic: the parallel component of the radius of gyration decreases monotonically with dispersity, but the perpendicular component ex…

Hyperelastic characterization via deep indentation
Mohammad Shojaeifard, Mattia Bacca
https://arxiv.org/abs/2506.05371 https://arxiv.…

Hyperelastic characterization via deep indentation
Hyperelastic material characterization is crucial for understanding the behavior of soft materials, such as tissues, rubbers, hydrogels, and polymers, under quasi-static loading before failure. Traditional methods typically rely on uniaxial tensile tests, which require the cumbersome preparation of dumbbell-shaped samples for clamping in a uniaxial testing machine. In contrast, indentation-based methods, which can be conducted in situ without sample preparation, have been underexplored. To char…

An upper bound of the lower tail of the mass of balls under the critical $2d$ stochastic heat flow
Makoto Nakashima
https://arxiv.org/abs/2507.18080 https://

An upper bound of the lower tail of the mass of balls under the critical $2d$ stochastic heat flow
We study the critical two-dimensional stochastic heat flow $\mathscr{Z}_t^{\vartheta}$, recently constructed as the scaling limit of directed polymers in a random environment and as the limit of the solution to a mollified stochastic heat equation. Focusing on the mass of balls $\mathscr{Z}_t^{\vartheta}(B_r(0),B_r(a))$ ($a\in \mathbb{R}^2$, $r>0$), we establish an upper bound on its lower tail. As a consequence, we prove the integrability of the logarithm of $\mathscr{Z}_t^{\vartheta}(B_r(0),B…

Suspensions of small ultra-soft colloids remain liquids in overcrowded conditions
Nikolaos A. Burger, Alexander V. Petrunin, Ann E. Terry Ralf Schweins, Andrea Scotti
https://arxiv.org/abs/2508.04244

Suspensions of small ultra-soft colloids remain liquids in overcrowded conditions
Concentrated suspensions of small ultra-soft colloids (ultra-low crosslinked microgels) are investigated with scattering and steady shear rheology to capture their equilibrium dynamics. The suspensions lack dynamic arrest, although the slow relaxation time $τ_2$ follows exponential growth with increasing generalized packing fraction, $ζ$. The zero-shear viscosity grows weakly with $ζ$, and never diverges in contrast to other soft glass formers, e.g.~star-polymers, microgels, green particles.…

Mechanical Degradation of Unentangled Polymer Melts under Uniaxial Extensional Flow
Mingchao Wang, Stephen Sanderson, Debra J. Searles
https://arxiv.org/abs/2506.03945

Mechanical Degradation of Unentangled Polymer Melts under Uniaxial Extensional Flow
Complex flow fields govern the deformation of polymers in various manufacturing processes. However, high flow rates may trigger reaction events (i.e., bond breaking or undesirable reaction of mechanophores) in raw polymeric materials, leading to the mechanical or functional debasement of manufactured structures. Additionally, it is difficult to fully characterize such molecular-level flow in the laboratory due to time- and length-scale limits. In this study, we perform non-equilibrium molecular…

Electrostatic Depletion Force in Complex Coacervates
Zongpei Wu, Shensheng Chen
https://arxiv.org/abs/2508.01328 https://arxiv.org/pdf/2508.01328

Electrostatic Depletion Force in Complex Coacervates
The functionalities and applications of complex coacervates -- liquid condensates resulting from liquid-liquid phase separation of charged polymers -- are significantly influenced by the dispersion and aggregation states of guest macromolecules. Intriguingly, guest macromolecules exhibit a strong tendency to aggregate within coacervates even in the absence of apparent chemical incompatibility, indicating a universal aggregation mechanism at play in these environments. Using extensive MD simulat…

Charge Regulation Effect on Nanoparticles Interaction Mediated by Polyelectrolyte
Vijay Yadav, Prabhat Kumar Jaiswal, Rudolf Podgornik, Sunita Kumari
https://arxiv.org/abs/2507.00549

Charge Regulation Effect on Nanoparticles Interaction Mediated by Polyelectrolyte
The ability to precisely control surface charge using charged polymers is fundamental to many nanotechnology applications, enabling the design and fabrication of materials with tailored properties and functionalities. Here, we study the effect of charge regulation (CR) on the interaction between two nanoparticles (NPs) mediated by an oppositely charged polyelectrolyte (PE) in an electrolyte solution. To this end, we employ a hybrid CR Monte Carlo (CR-MC)/molecular dynamics (MD) simulation frame…

Actively induced supercoiling can slow down plasmid solutions by trapping the threading entanglements
Roman Sta\v{n}o, Ren\'ata Ruskov\'a, Du\v{s}an Ra\v{c}ko, Jan Smrek
https://arxiv.org/abs/2506.22842

Actively induced supercoiling can slow down plasmid solutions by trapping the threading entanglements
Harnessing the topology of ring polymers as a design motif in functional nanomaterials is becoming a promising direction in the field of soft matter. For example, the ring topology of DNA plasmids prevents the relaxation of excess twist introduced to the polymer, instead resulting in helical supercoiled structures. In equilibrium semi-dilute solutions, tightly supercoiled rings relax faster than their torsionally relaxed counterparts, since the looser conformations of the latter allow for rings…

This https://arxiv.org/abs/2408.14058 has been replaced.
initial toot: https://mastoxiv.page/@arXi…

Phantom chain simulations for fracture of star polymer networks on the effect of arm molecular weight
This study investigated the fracture of star polymer networks made from prepolymers with various arm molecular weights in the range $2 \leq N_a \leq 0$, for node functionalities $3 \leq f \leq 8$ and conversion ratios $0.6\leqϕ_c\leq0.95$ by phantom chain simulations. The networks were created via end-linking reactions of star polymers dispersed in a simulation box with a fixed monomer density $ρ=8$. The resultant networks were alternatively subjected to energy minimization and uniaxial stret…

Confusion-driven machine learning of structural phases of a flexible, magnetic Stockmayer polymer
Dilina Perera, Samuel McAllister, Joan Josep Cerd\`a, Thomas Vogel
https://arxiv.org/abs/2506.20899

Confusion-driven machine learning of structural phases of a flexible, magnetic Stockmayer polymer
We use a semi-supervised, neural-network based machine learning technique, the confusion method, to investigate structural transitions in magnetic polymers, which we model as chains of magnetic colloidal nanoparticles characterized by dipole-dipole and Lennard-Jones interactions. As input for the neural network we use the particle positions and magnetic dipole moments of equilibrium polymer configurations, which we generate via replica-exchange Wang--Landau simulations. We demonstrate that by m…

pH-dependent interfacial rheology of polymer membranes assembled at liquid-liquid interfaces using hydrogen bonds
Julien Dupr\'e de Baubigny (SIMM), Corentin Tregouet (SIMM), Elena N. Govorun (SIMM), Mathilde Reyssat (SIMM), Patrick Perrin (SIMM), Nad\`ege Pantoustier (SIMM), Thomas Salez (LOMA), C\'ecile Monteux (SIMM)
https://arx…

pH-dependent interfacial rheology of polymer membranes assembled at liquid-liquid interfaces using hydrogen bonds
Self-assembly of polymers at liquid interfaces using non-covalent interactions has emerged as a promising technique to reversibly produce self-healing membranes. Besides the assembly process, it is also crucial to control the mechanical properties of these membranes. Here, we measure the interfacial rheological properties of PMAA-PPO (polymethacrylic acidpolypropylene oxide) polymer membranes assembled using hydrogen bonds at liquid-oil interfaces. Varying the pH enables us to modify the degree…

Nucleation and propagation of fracture in viscoelastic elastomers: A complete phase-field theory
Farhad Kamarei, Evan Breedlove, Oscar Lopez-Pamies
https://arxiv.org/abs/2506.16479

Nucleation and propagation of fracture in viscoelastic elastomers: A complete phase-field theory
This paper presents a macroscopic theory, alongside its numerical implementation, aimed at describing, explaining, and predicting the nucleation and propagation of fracture in viscoelastic materials subjected to quasistatic loading conditions. The focus is on polymers, in particular, on elastomers. To this end, the starting point of this work is devoted to summarizing the large body of experimental results on how elastomers deform, nucleate cracks, and propagate cracks when subjected to mechani…