Tootfinder

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…

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…

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…

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…

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…

#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…

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…

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…

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…

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…

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…

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 …

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…

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…

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…