Tootfinder

Active Learning and Explainable AI for Multi-Objective Optimization of Spin Coated Polymers
Brendan Young, Brendan Alvey, Andreas Werbrouck, Will Murphy, James Keller, Mattias J. Young, Matthew Maschmann
https://arxiv.org/abs/2509.08988

Active Learning and Explainable AI for Multi-Objective Optimization of Spin Coated Polymers
Spin coating polymer thin films to achieve specific mechanical properties is inherently a multi-objective optimization problem. We present a framework that integrates an active Pareto front learning algorithm (PyePAL) with visualization and explainable AI techniques to optimize processing parameters. PyePAL uses Gaussian process models to predict objective values (hardness and elasticity) from the design variables (spin speed, dilution, and polymer mixture), guiding the adaptive selection of sa…

Compounding formula approach to chromatin and active polymer dynamics
Takahiro Sakaue, Enrico Carlon
https://arxiv.org/abs/2510.07949 https://arxiv.org/pdf…

Compounding formula approach to chromatin and active polymer dynamics
Active polymers are ubiquitous in nature, and often kicked by persistent noises that break detailed balance. In order to capture the out-of-equilibrium dynamics of such active polymers, we propose a simple yet reliable analytical framework based on a compounding formula. Connecting polymeric dynamics to the isolated monomeric behavior via the notion of tension propagation, the formula allows us to clarify rich scaling scenarios alongside corresponding intuitive physical pictures. We demonstrate…

Modeling of an electro-active pseudo-trilayer based on PEDOT, a semi-conductor polymer
Mireille Tixier (LMV), J Pouget (DALEMBERT)
https://arxiv.org/abs/2509.08297 https://

Modeling of an electro-active pseudo-trilayer based on PEDOT, a semi-conductor polymer
Electroactive polymers are smart materials that can be used as actuators, sensors, or energy harvesters. We focus on a pseudo trilayer based on PEDOT, a semiconductor polymer: the central part consists of two interpenetrating polymers and PEDOT is polymerized on each side; the whole blade is saturated with an ionic liquid. A pseudo trilayer is obtained, the two outer layers acting as electrodes. When an electric field is applied, the cations move towards the negative electrode, making it swell,…

Reverse Supply Chain Network Design of a Polyurethane Waste Upcycling System
Dalga Merve \"Ozkan, Sergio Lucia, Sebastian Engell
https://arxiv.org/abs/2510.08097 https://…

Reverse Supply Chain Network Design of a Polyurethane Waste Upcycling System
This paper presents a general mathematical programming framework for the design and optimization of supply chain infrastructures for the upcycling of plastic waste. For this purpose, a multi-product, multi-echelon, multi-period mixed-integer linear programming (MILP) model has been formulated. The objective is to minimize the cost of the entire circular supply chain starting from the collection of post-consumer plastic waste to the production of virgin-equivalent high value polymers, satisfying…

On the Cahn-Hilliard equation with nonlinear diffusion: the non-convex case
Monica Conti, Stefania Gatti, Andrea Giorgini, Giulio Schimperna
https://arxiv.org/abs/2510.08287 htt…

On the Cahn-Hilliard equation with nonlinear diffusion: the non-convex case
We investigate the Cahn-Hilliard equation with nonlinear diffusion and non-degenerate mobility modeling phase separation phenomena in complex systems (e.g., crystals and polymers). Previous results in the literature on this model relied on the strong convexity assumption of the gradient part of the energy, which excludes relevant cases. In this work, we remove the convexity condition and establish new qualitative properties of solutions under general assumptions on the diffusion and mobility fu…

Self-Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers
Guoyue Xu, Renzheng Zhang, Tengfei Luo
https://arxiv.org/abs/2509.05351 ht…

Self-Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers
To overcome the inherent inefficiencies of traditional trial-and-error materials discovery, the scientific community is increasingly developing autonomous laboratories that integrate data-driven decision-making into closed-loop experimental workflows. In this work, we realize this concept for thermoresponsive polymers by developing a low-cost, "frugal twin" platform for the optimization of the lower critical solution temperature (LCST) of poly(N-isopropylacrylamide) (PNIPAM). Our system integra…

Eigenvalue statistics for random polymer models: Localization and delocalization
Peter D. Hislop, Fumihiko Nakano
https://arxiv.org/abs/2508.21215 https://…

Eigenvalue statistics for random polymer models: Localization and delocalization
We study the local eigenvalue statistics (LES) associated with one-dimensional lattice models of random polymers. We consider models constructed from two polymers. Each polymer is a finite interval of lattice points with a finite potential. These polymers are distributed along $\mathbb{Z}$ according to a Bernoulli distribution. The deterministic spectrum for these models is dense pure point, and is known to contain finitely-many critical energies. In this paper, we prove that the LES centered a…

Elasto-viscous regime in coalescence of viscoelastic droplets
Pallavi Katre, Bimalendu Mahapatra, Manaswita Karmakar, Sarang Jagdish, Navin Kumar Chandra, Aloke Kumar
https://arxiv.org/abs/2510.06686

Elasto-viscous regime in coalescence of viscoelastic droplets
We report a regime transition in the coalescence of concentrated polymeric droplets in a pendant-pendant configuration. While Newtonian droplet coalescence has been extensively studied with distinct identification of viscous and inertial regimes, the presence of polymers introduces additional regimes governed by elasticity and molecular relaxation effects. The coalescence process is typically characterized by the neck radius, $R$, of the liquid bridge connecting the two droplets, following a po…

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…

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…

"Revolutionary Study Shows Plants That Remove Microplastics Work Better Than Current Technology"
#Microplastics #Plastic #Plastics

Revolutionary Study Shows Plants That Remove Microplastics Work Better Than Current Technology | Happy Eco News
Plants that remove microplastics from water could revolutionize treatment methods. Scientists discovered okra and fenugreek extracts capture up to 90% of plastic particles, outperforming synthetic chemicals. These natural, biodegradable alternatives cost less than industrial polymers while avoiding toxic additives, offering safer water treatment for communities worldwide.

Packing, Phase Separation and Interface Compatibility in Reversibly Crosslinked Polymers
Abhishek S. Chankapure, Rahul Karmakar, Srikanth Sastry, Sanat K. Kumar, Tarak K. Patra
https://arxiv.org/abs/2509.05969

Packing, Phase Separation and Interface Compatibility in Reversibly Crosslinked Polymers
Vitrimers are a class of crosslinked polymer that are capable of undergoing bond exchange reactions, allowing structural reorganization while maintaining overall network integrity. Two key features that are particularly relevant when this vitrimer concept is used to compatibilize immiscible polymer blends are how they affect the (i) bulk polymer density and (ii) interfacial activity of the crosslink groups. To probe these issues, we model both a bulk polymer melt and a thin film of a polymer me…

🧵Researchers explore new strategies to develop environmentally safe polymer materials
https://phys.org/news/2025-09-explore-strategies-environmentally-safe-polymer.html

Researchers explore new strategies to develop environmentally safe polymer materials
Traditional polymers such as plastics are widely utilized for their chemical inertness and durability. However, these very properties make them non-degradable in nature and cause long-term environmental damage due to their persistence.

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 …

Improved universality bounds for directed polymers in the intermediate disorder regime
Pranay Agarwal
https://arxiv.org/abs/2509.21453 https://arxiv.org/pd…

Improved universality bounds for directed polymers in the intermediate disorder regime
We prove universality of Tracy-Widom GUE fluctuations for directed polymers in $1+1$ dimensions in the intermediate disorder regime. Building on the Lindeberg replacement method of arXiv:2304.04871, we refine estimates for the measure of steep paths using probabilistic arguments. Our result extends the admissible range of the inverse temperature scaling parameter $β= n^{-α}$ to all $α\in (2/(3K+11), 1/4)$, provided the weights match $K$ moments with the log-Gamma distribution. For a general …

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…

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…

Vibrational Fingerprints of Strained Polymers: A Spectroscopic Pathway to Mechanical State Prediction
Julian Konrad, Janina Mittelhaus, David M. Wilkins, Bodo Fiedler, Robert Mei{\ss}ner
https://arxiv.org/abs/2509.16266

Vibrational Fingerprints of Strained Polymers: A Spectroscopic Pathway to Mechanical State Prediction
The vibrational response of polymer networks under load provides a sensitive probe of molecular deformation and a route to non-destructive diagnostics. Here we show that machine-learned force fields reproduce these spectroscopic fingerprints with quantum-level fidelity in realistic epoxy thermosets. Using MACE-OFF23 molecular dynamics, we capture the experimentally observed redshifts of para-phenylene stretching modes under tensile load, in contrast to the harmonic OPLS-AA model. These shifts 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…

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…

A new diffuse reflector filament for additive manufacturing of 3D printing finely-segmented plastic scintillator
S. Berns, E. Boillat, S. Hugon, A. Boyarintsev, B. Grynyov, N. Karavaeva, A. Krech, S. Minenko, T. Sibilieva, M. Sibilyev, A. De Roeck, T. Dieminger, U. Kose, B. Li, A. Rubbia, D. Sgalaberna, T. Weber, J. W\"uthrich, X. Zhao
https://

A new diffuse reflector filament for additive manufacturing of 3D printing finely-segmented plastic scintillator
This study presents the development and characterization of a novel white reflective filament suitable for additive manufacturing of finely segmented plastic scintillators using 3D printing. The filament is based on polycarbonate (PC) and polymethyl methacrylate (PMMA) polymers loaded with titanium dioxide (TiO$_2$) and polytetrafluoroethylene (PTFE) to enhance reflectivity. A range of filament compositions and thicknesses was evaluated through optical reflection and transmittance measurements.…

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…

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…

Finite element models for Self-Deployable Miura-folded origami
Suraj Singh Gehlot, Siddhanth Gautam, Sanhita Das
https://arxiv.org/abs/2510.08029 https://a…

Finite element models for Self-Deployable Miura-folded origami
Origami-inspired self-deployable structures offer lightweight, compact, and autonomous deployment capabilities, making them highly attractive for aerospace and defence applications, such as solar panels, antennas, and reflector systems. This paper presents finite element frameworks for simulating Miura-origami units in ABAQUS, focusing on two deployment mechanisms: elastic strain energy release and thermally activated shape-memory polymers (SMPs). Validation against experimental data for elasti…

Crosslisted article(s) found for physics.bio-ph. https://arxiv.org/list/physics.bio-ph/new
[1/1]:
- Emergent Isotropic-Nematic Transition in 3D Semiflexible Active Polymers
Twan Hooijschuur, Ehsan Irani, Antoine Deblais, Sara Jabbari-Farouji

Closing the Loop: Integrating Material Needs of Energy Technologies into Energy System Models
C\'elia Burghardt, Mirko Sch\"afer, Anke Weidlich
https://arxiv.org/abs/2508.19950

Closing the Loop: Integrating Material Needs of Energy Technologies into Energy System Models
The transition to a climate-neutral energy system demands large-scale renewable generation expansion, which requires substantial amounts of bulk materials like steel, cement, and polymers. The production of these materials represents an additional energy demand for the system, creating an energy-material feedback loop. Current energy system models lack a complete representation of this feedback loop. Material requirements of energy system transformation have been studied in a retrospective appr…

Shape spectra of elastic shells with surface-adsorbed semiflexible polymers
Hadiya Abdul Hameed, Jaroslaw Paturej, Aykut Erbas
https://arxiv.org/abs/2509.04138 https://

Shape spectra of elastic shells with surface-adsorbed semiflexible polymers
The shape of biological shells, such as cell nuclei, membranes, and vesicles, often deviates from a perfect sphere due to an interplay of complex interactions with a myriad of molecular structures. In particular, semiflexible biopolymers adsorbed to the surfaces of such shells seem to affect their morphological properties. While the effect of a single, long, semiflexible chain is relatively well characterized, the mechanisms by which a high density of such surface-adsorbed polymers can alter th…

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…

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…

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…

Machine Learning for Polymer Chemical Resistance to Organic Solvents
Shogo Kunieda, Mitsuru Yambe, Hiromori Murashima, Takeru Nakamura, Toshiaki Shintani, Hitoshi Kamijima, Yoshihiro Hayashi, Yosuke Hanawa, Ryo Yoshida
https://arxiv.org/abs/2509.05344

Machine Learning for Polymer Chemical Resistance to Organic Solvents
Predicting the chemical resistance of polymers to organic solvents is a longstanding challenge in materials science, with significant implications for sustainable materials design and industrial applications. Here, we address the need for interpretable and generalizable frameworks to understand and predict polymer chemical resistance beyond conventional solubility models. We systematically analyze a large dataset of polymer solvent combinations using a data-driven approach. Our study reveals th…

Non-directed polymers in random environments with range penalties: the high dimensional case
Niccolo Torri, Ran Wei
https://arxiv.org/abs/2509.17319 https://

Non-directed polymers in random environments with range penalties: the high dimensional case
This paper is a follow-up work of arxiv.org/abs/2101.05949. We study a non-directed polymer model in random environments. The polymer is represented by a simple symmetric random walk $S$ on $\mathbb{Z}^d$ with $d\geq2$ and the random environment is represented by i.i.d. heavy-tailed random variables with their tail probability decaying polynomially. We perform a Gibbs transform to describe the interaction between polymers and random environments. Up to time $N$, the law of $S$ is tilted by $\ex…

Replaced article(s) found for cond-mat.soft. https://arxiv.org/list/cond-mat.soft/new
[1/1]:
- Confinement and Activity-Driven Dynamics of Semiflexible Polymers in Motility Assays
Sandip Roy, Abhishek Chaudhuri, Anil Kumar Dasanna

The Role of Vortex Stretching in Drag Reduction of Polymer-Laden Turbulent Flow
Wouter J. T. Bos (LMFA), Xuan Shao, Tong Wu, Le Fang
https://arxiv.org/abs/2508.15349 https://

The Role of Vortex Stretching in Drag Reduction of Polymer-Laden Turbulent Flow
An addition of polymers can significantly reduce drag in wall-bounded turbulent flows, such as pipes or channels. This phenomenon is accompanied by a noticeable modification of the mean velocity profile. Starting from the premise that polymers reduce vortex-stretching, we derive a theoretical prediction for the mean-velocity profile. After assessing this prediction by numerical experiments of turbulence with reduced vortex stretching, we show that the theory successfully describes experimental …

Highly anisotropic 1D materials supported in exfoliable 2D coordination polymers with optical anisotropy switching via twist-engineering
Eleni C. Mazarakioti, Carla Boix-Constant, Iv\'an G\'omez-Mu\~noz, Diego L\'opez-Alcal\'a, Sergio Revuelta, Marco Ballabio, Vasileios Balos, Jos\'e J. Baldov\'i, Enrique C\'anovas, Josep Canet-Ferrer, Guillermo M\'inguez Espallargas, Samuel Ma\~nas-Valero, Eugenio Coronado

Highly anisotropic 1D materials supported in exfoliable 2D coordination polymers with optical anisotropy switching via twist-engineering
Van der Waals (vdW) materials provide a platform to study and control the physical properties of low-dimensional materials. While strategies developed for two-dimensional (2D) crystals are not directly transferable to one-dimensional (1D) systems, we can benefit from them by creating layers formed by interconnected chains. Here, we develop a molecular strategy to illustrate this concept consisting of assembling 1D materials in 2D metal-organic frameworks (MOFs). Crystals of [FeX(pzX)(bpy)] (X =…

Replaced article(s) found for cond-mat.stat-mech. https://arxiv.org/list/cond-mat.stat-mech/new
[1/1]:
- Factoring the Laplacian to understand topological polymers
Jason Cantarella, Tetsuo Deguchi, Clayton Shonkwiler, Erica Uehara

A New Approach to the Glass Transition of Percolated Polymers from the Perspective of Thermal Volume Expansion
Jan-Kristian Kr\"uger, Bernd Wetzel, Andreas Klingler
https://arxiv.org/abs/2509.03174

A New Approach to the Glass Transition of Percolated Polymers from the Perspective of Thermal Volume Expansion
In 1995, the Nobel Price winner P.W. Anderson made the following remarkable statement: The deepest and most interesting unsolved problem in solid state theory is probably the theory of the nature of glass and glass transition. Although there have been new theoretical developments in the meantime, in our opinion, this situation has only improved marginally to date. One of the main reasons is the insufficient consideration of experimental boundary conditions. A central experimental problem arises…

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…

A central limit theorem for two-dimensional directed polymers with critical spatial correlation
Cl\'ement Cosco, Francesca Cottini, Anna Donadini
https://arxiv.org/abs/2509.16694

A central limit theorem for two-dimensional directed polymers with critical spatial correlation
On the 1+2 dimensional lattice, we consider a directed polymer in a random Gaussian environment that is independent in time and correlated in space. The spatial correlation is supposed to decay as $(\log |x|)^a /|x|^{2}$, $a>-1$, where the square in the polynomial is known to be critical (Lacoin, Ann. Prob. (2011)). We introduce an intermediate regime of temperature $β_N \propto \hat β/(\log N)^{\frac{a+2}{2}}$, under which the log-partition function $\log W_N^{β_N}$ conv…

Emergent Isotropic-Nematic Transition in 3D Semiflexible Active Polymers
Twan Hooijschuur, Ehsan Irani, Antoine Deblais, Sara Jabbari-Farouji
https://arxiv.org/abs/2509.21599 ht…

Emergent Isotropic-Nematic Transition in 3D Semiflexible Active Polymers
Active semiflexible filament collectives, ranging from motor-driven cytoskeletal filaments to slender organisms such as cyanobacteria and worm aggregates, abound in nature, yet how activity and flexibility jointly govern their organization, especially Isotropic-nematic (I-N) transition, remains poorly understood. Using large-scale Brownian dynamics simulations of 3D active semiflexible polymers with varying flexibility degrees, we show that tangential active forces systematically shift the I-N …

Ring polymers in two-dimensional melts double-fold around randomly branching "primitive shapes"
Mattia A. Ubertini, Angelo Rosa
https://arxiv.org/abs/2509.15757 https:…

Ring polymers in two-dimensional melts double-fold around randomly branching "primitive shapes"
Drawing inspiration from the concept of the "primitive path" of a linear chain in melt conditions, we introduce here a numerical protocol which allows us to detect, in an unambiguous manner, the "primitive shapes" of ring polymers in two-dimensional melts. Then, by analysing the conformational properties of these primitive shapes, we demonstrate that they conform to the statistics of two-dimensional branched polymers (or, trees) in the same melt conditions, in agreement with seminal theoretical…

Interpretable Spectral Features Predict Conductivity in Self-Driving Doped Conjugated Polymer Labs
Ankush Kumar Mishra, Jacob P. Mauthe, Nicholas Luke, Aram Amassian, Baskar Ganapathysubramanian
https://arxiv.org/abs/2509.21330

Interpretable Spectral Features Predict Conductivity in Self-Driving Doped Conjugated Polymer Labs
Self-driving labs (SDLs) promise faster materials discovery by coupling automation with machine learning, but a central challenge is predicting costly, slow-to-measure properties from inexpensive, automatable readouts. We address this for doped conjugated polymers by learning interpretable spectral fingerprints from optical spectroscopy to predict electrical conductivity. Optical spectra are fast, non-destructive, and sensitive to aggregation and charge generation; we automate their featurizati…

Passive polymers in active turbulence undergo a collapse-stretch transition
Zahra K. Valei, Davide Marenduzzo, Tyler N. Shendruk
https://arxiv.org/abs/2509.23382 https://…

Passive polymers in active turbulence undergo a collapse-stretch transition
Active processes in living systems generate nonequilibrium forces that deform embedded passive macromolecules. To understand how such dynamics influence polymer conformation, we study a flexible passive chain in an active nematic fluid. Using hybrid simulations, we uncover a length-dependent transition in polymer behavior: long chains align with and stretch along defect-driven flows, while short chains bend and collapse due to localized stresses. These responses are controlled by a competition …

Glassy dynamics in two-dimensional ring polymers: size versus stiffness polydispersity
Rahul Nayak, Pinaki Chaudhuri, Satyavani Vemparala
https://arxiv.org/abs/2509.20066 https:…

Glassy dynamics in two-dimensional ring polymers: size versus stiffness polydispersity
Soft glassy materials often consist of deformable objects. Here, we use a two-dimensional assembly of semi-flexible ring polymers as a model system to investigate how polydispersity in particle stiffness or size influences the onset of glassy dynamics. In simulations at fixed polydispersity 30%, we find that stiffness dispersity drives most rings into elongated conformations at high densities, leading to orientationally ordered structures that cause dynamical slowing down. In contrast, size dis…

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.…

Beyond Bloch: A Theoretical Blueprint for Conjugated Polymer Optoelectronics
Miguel Lagos, Miguel Kiwi, Rodrigo Paredes
https://arxiv.org/abs/2509.18663 https://

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 …

Linear Viscoelasticity of Dilute Solutions of Semiflexible Polymers
Amit Varakhedkar, P. Sunthar, J. Ravi Prakash
https://arxiv.org/abs/2509.17631 https://…

Linear Viscoelasticity of Dilute Solutions of Semiflexible Polymers
The linear viscoelastic response of dilute solutions of semiflexible polymers is studied using Brownian dynamics simulations of coarse-grained bead-spring chains. The springs obey the FENE-Fraenkel force law, a bending potential is used to capture chain stiffness and hydrodynamic interactions are included through the Rotne-Prager-Yamakawa tensor. By calculating the relaxation modulus following a step strain, we demonstrate that the bead-spring chain behaves like an inextensible semiflexible rod…

Heterogenous Dynamics in a Polymer Solution Revealed through Measurement of Ultraslow Convection
Thomas P. Chaney, Samuel D. Marks, Dylan M. Ladd, Andrei Fluerasu, Federico Zontone, Yuriy Chushkin, Sebastian Fr\"ucht, Dina Sheyfer, Kelsey Levine, Amnahir E. Pe\~na-Alc\'antara, Hans-Georg Steinr\"uck, Michael F. Toney
https://…

Heterogenous Dynamics in a Polymer Solution Revealed through Measurement of Ultraslow Convection
Understanding solution-phase aggregation and dynamics in complex fluids is critical for material processing, yet widely used dynamic light scattering (DLS) fails for strongly attenuating systems such as conjugated polymers. We use X-ray photon correlation spectroscopy (XPCS) to probe the dynamics of a polymer, PM7, in toluene, revealing unexpected oscillations in the autocorrelation function that show vertical flow during measurement. Despite the relatively low X-ray absorption, measured flow v…

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…

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…

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…

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…

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…

Mechanical performance of hybrid polymer-lipid vesicles with leaflet asymmetry engineered using microfluidics
Yuting Huang, Arash Manafirad, Simon Matoori, Laura R. Arriaga, Sijie Sun, Anqi Chen, Anthony D. Dinsmore, David J. Mooney, David A. Weitz
https://arxiv.org/abs/2509.02194

Mechanical performance of hybrid polymer-lipid vesicles with leaflet asymmetry engineered using microfluidics
Lipid vesicles consist of aqueous cores surrounded by a bilayer of phospholipids. Hybrid polymer-lipid vesicles incorporate both polymers and lipids, offering promising properties for developing pharmaceuticals, biosensors, and artificial cells. The hybrid vesicles can be symmetric, in which their two leaflets contain identical compositions, or asymmetric, in which the leaflets possess dissimilar compositions and can lead to dramatically modified properties. However, methods to produce both sym…

Dipolar Self-Interactions Drive Polymer Chain Collapse
Pratik Khandagale, Gal deBotton, Timothy Breitzman, Carmel Majidi, Kaushik Dayal
https://arxiv.org/abs/2509.01993 https://…

Dipolar Self-Interactions Drive Polymer Chain Collapse
We report that a dielectric polymer chain, constrained at both ends, sharply collapses when exposed to a high electric field. The chain collapse is driven by nonlocal dipolar interactions and anisotropic polarization of monomers, a characteristic of real polymers that prior theories were unable to incorporate. Once collapsed, a large number of chain monomers accumulate at the center location between the chain ends, locally increasing the electric field and polarization by orders of magnitude. T…

Computational study of Adhesion and Friction Behavior of Crosslinked Polymer Network
Ajay Kumar, Manoj Kumar Maurya, Manjesh K. Singh
https://arxiv.org/abs/2508.21360 https://…

Computational study of Adhesion and Friction Behavior of Crosslinked Polymer Network
In this study, we have utilized a molecular dynamics simulation approach to understand adhesion and friction behaviour of crosslinked polymer networks. We have used breakable quartic bond to model crosslinked polymers. We explored the structural characteristics and evaluated the coefficient of friction (CoF) as a function of crosslinked monomer fraction (cross-linking bond density) in four-fold cross-linked polymer networks. To estimate CoF, a rigid indenter was inserted to different depths of …

Extrapolation of Machine-Learning Interatomic Potentials for Organic and Polymeric Systems
Natalie E. Hooven, Arthur Y. Lin, Rose K. Cersonsky
https://arxiv.org/abs/2509.25022 h…

Extrapolation of Machine-Learning Interatomic Potentials for Organic and Polymeric Systems
Machine-Learning Interatomic Potentials (MLIPs) have surged in popularity due to their promise of expanding the spatiotemporal scales possible for simulating molecules with high fidelity. The accuracy of any MLIP is dependent on the data used for its training; thus, for large molecules, like polymers, where accurate training data is prohibitively difficult to obtain, it becomes necessary to pursue non-traditional methods to construct MLIPs, many of which are based on constructing MLIPs using sm…

Polymer-based probabilistic bits for thermodynamic computing
Stephen H. Foulger, Yuriy Bandera, Igor Luzinov, Travis Wanless, Lubomir Kostal, Vojtech N\'adazdy, Petr Janovsk\'y, Jarmila Vil\v{c}\'akov\'a
https://arxiv.org/abs/2509.21372

Polymer-based probabilistic bits for thermodynamic computing
Probabilistic bits (p-bits) are stochastic hardware elements whose output probability can be tuned by an input bias, offering a route to energy-efficient architectures that exploit, rather than suppress, fluctuations. Here we report p-bit generation in an organic memristive device, establishing polymers as the first class of soft-matter systems to realize probabilistic hardware. The active element is a dithieno[3,2-b:2',3'-d]pyrrole (DTP)-backbone polymer with pendant triphenylamine (TPA) group…

Locally tuned hydrodynamics of active polymer chains
Lisa Sappl, Christos N. Likos, Andreas Z\"ottl
https://arxiv.org/abs/2508.18789 https://arxiv.org…

Locally tuned hydrodynamics of active polymer chains
We employ mesoscopic simulations to study active polymers in a solvent via multi-particle collision dynamics. We investigate linear chains in which either the head or tail monomer exerts an active force, directed away from or towards its neighbor, respectively, while the remaining monomers are passive. We find that, in contrast to flexible chains, for stiff chains the position of the active monomer has minimal influence on both the structural and dynamic properties of the chain. An active head …

Topological Mechanics of Entangled Networks
Juntao Huang, Jiabin Liu, Shaoting Lin
https://arxiv.org/abs/2509.17813 https://arxiv.org/pdf/2509.17813…

Topological Mechanics of Entangled Networks
Entangled networks are ubiquitous in tissues, polymers, and fabrics. However, their mechanics remain insufficiently understood due to the complexity of the topological constraints at the network level. Here, we develop a mathematical framework that models entangled networks as graphs, capturing topological constraints of entanglements. We prove that entanglements reduce system energy by enabling uniform tension along chains crossing entanglements and by redistributing stress through sliding. Un…

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…

Topological Dissipation as the Missing Link in Multiscale Polymer Dynamics
Xu-Ze Zhang, Rui Shi, Ming-Ji Fang, Zhong-Yuan Lu, Hu-Jun Qian
https://arxiv.org/abs/2508.12359 https:…

Topological Dissipation as the Missing Link in Multiscale Polymer Dynamics
We identify topological dissipation -- momentum transport along the polymer backbone with Ising-type exponential decay ($\sim \exp(-Δn/n_\text{d})$) -- as the missing link connecting atomistic and mesoscale dynamics. Simulations of four polymers reveal that dynamical correlation length $n_\text{d} \approx n_\text{k}/3$ (Kuhn length $n_\text{k}$), enabling a coarse-grained framework that \emph{explicitly separates} topological (intrachain) and spatial (interchain) dissipation channels without t…

Crosslisted article(s) found for cond-mat.soft. https://arxiv.org/list/cond-mat.soft/new
[1/1]:
- Comprehensive Structural Characterization of Charged Polymers Involved in Moisture-Driven Direct ...
Yogaganeshan, Zhang, Fromme, Sharang, Ford, Yates, Medel, Uher, Flory, Wade,…