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Dynamics of a polymer chain in solution gets significantly affected by the temperature and the frictional forces arising due to solvent viscosity. Here, using an explicit solvent framework for polymer simulation with the liberty to tune the…

Soft Condensed Matter · Physics 2024-09-11 Suman Majumder , Henrik Christiansen , Wolfhard Janke

Designing polymers with high intrinsic thermal conductivity (TC) is critically important for the thermal management of organic electronics and photonics. However, this is a challenging task owing to the diversity of the chemical space and…

Soft Condensed Matter · Physics 2024-05-09 Xiang Huang , Shenghong Ju

We studied a system formed by a mixture of a thermoresponsive negatively charged graft copolymer (Alg-g-PNIPAAm) with a brush-type structure, and an oppositely charged surfactant (DTAB), in bulk and at the air-solution interface. We…

By means of Metropolis Monte Carlo simulations of a coarse-grained model for flexible polymers, we investigate how the integrated autocorrelation times of different energetic and structural quantities depend on the temperature. We show…

Computational Physics · Physics 2014-08-19 Kai Qi , Michael Bachmann

Poly-N-isopropylacrylamide (PNIPAM) phase diagram is explored in a wide range of temperature and pressure using extensive all-atom molecular dynamics simulations. By exploiting a simple model of an atactic linear polymer chain, we provide…

Soft Condensed Matter · Physics 2021-07-23 Letizia Tavagnacco , Ester Chiessi , Emanuela Zaccarelli

Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various…

Chemical Physics · Physics 2016-10-12 Quanwen Liao , Lingping Zeng , Zhichun Liu , Wei Liu

Transient processes generally constitute part of energy-system cycles. If skillfully manipulated, they actually are capable of assisting systems to behave beneficially to suit designers' needs. In the present study, behaviors related to…

Computational Physics · Physics 2014-10-22 Z. J. Gao , T. M. Shih , H. Merlitz , P. J. Pagni , Z. Chen

We develop thin films of blends of polystyrene (PS) with the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM) (PS/PNIPAM) and its diblock copolymer polystyrene-b-poly(N-isopropylacrylamide) (PS/PS-b-PNIPAM) in different blend…

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…

Soft Condensed Matter · Physics 2025-09-09 Guoyue Xu , Renzheng Zhang , Tengfei Luo

We study the translocation of a flexible polymer through a pore in a membrane induced by its adsorption on \trans side of the membrane. When temperature $T$ is higher than $T_c$, the adsorption-desorption transition temperature, attractive…

Soft Condensed Matter · Physics 2009-10-31 Pyeong Jun Park , Wokyung Sung

We describe a microscope-based optical setup that allows us to perform space-and time-resolved measurements of the spectral reflectance of transparent substrates coated with ultrathin films. This technique is applied to investigate the…

Soft Condensed Matter · Physics 2016-03-25 Siddhartha Varma , Lionel Bureau , Delphine Débarre

A central quantity in the design of functional hydrogels used as nanocarrier systems, for instance for drug delivery or adaptive nanocatalysis, is the partition ratio, which quantifies the uptake of a molecular substance by the polymer…

Soft Condensed Matter · Physics 2019-01-08 Matej Kanduc , Won Kyu Kim , Rafael Roa , Joachim Dzubiella

Recent experiments have demonstrated that the glass transition temperature of thin polymer films can be shifted as compared to the same polymer in the bulk, the amplitude and the sign of this effect depending on the interaction between the…

Statistical Mechanics · Physics 2007-05-23 D. Long , P. Sotta

The influence of shape fluctuations on deformable thermosensitive microgels in aqueous solution is investigated by dynamic light scattering (DLS) and depolarized dynamic light scattering (DDLS). The systems under study consist of a solid…

Soft Condensed Matter · Physics 2009-02-20 S. Bolisetty , M. Hoffmann , S. Lekkala , Th. Hellweg , M. Ballauff , L. Harnau

Polymer nanofibers with high thermal conductivities and outstanding thermal stabilities are highly desirable in heat transfer-critical applications such as thermal management, heat exchangers and energy storage. In this work, we unlock the…

Chemical Physics · Physics 2014-09-12 Teng Zhang , Xufei Wu , Tengfei Luo

The quality of solvents of polymers is often described in terms of the Flory chi parameter typically assumed to depend only on the temperature, T. In certain polymer-solvent systems fitting the experimental data enforces the replacement of…

Soft Condensed Matter · Physics 2012-06-27 V. A. Baulin , A. Halperin

Understanding the thermal conductivity of polymers under high-pressure conditions is essential for a range of applications, from aerospace and deep-sea engineering to common lubricants. However, the complex relationship between pressure,…

Soft Condensed Matter · Physics 2026-01-12 Otavio Higino Moura de Alencar , James Mu , Marcus Müller , Debashish Mukherji

The glass transition in amorphous poly(ethylene terephthalate) is studied by thermally stimulated depolarization currents (TSDC) and differential scanning calorimetry (DSC). The ability of TSDC to decompose a distributed relaxation, as the…

Materials Science · Physics 2009-11-11 J. A. Diego , J. Sellares , A. Aragoneses , J. C. Canadas , M. Mudarra , J. Belana

Polymers, integral to advancements in high-tech fields, necessitate the study of their thermal conductivity (TC) to enhance material attributes and energy efficiency. The TC of polymers obtained by molecular dynamics (MD) calculations and…

Applied Physics · Physics 2024-04-02 Chunbo Lin , Han Zheng

High temperature polymer-based dielectric capacitors are crucial for application in electronic power systems. However, the storage performance of conventional dielectrics polymer dramatically deteriorates due to the thermal breakdown under…