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Recent theoretical and experimental research suggests that $\theta$-TaN is a semimetal with high thermal conductivity ($\kappa$), primarily due to the contribution of phonons ($\kappa_\texttt{ph}$). By using first-principles calculations,…

Materials Science · Physics 2024-03-20 Ashis Kundu , Yani Chen , Xiaolong Yang , Fanchen Meng , Jesús Carrete , Mukul Kabir , Georg K. H. Madsen , Wu Li

Understanding interfacial heat transfer between polymers and water is crucial for the design of biomaterials, drug delivery platforms, and nanofluidic systems. In this study, we employed all atom molecular dynamics (MD) simulations to…

Soft Condensed Matter · Physics 2025-12-04 Shadi Babaei , Yekta Cheraghali , Claire Loison , Ali Rajabpour , Samy Merabia

Glasses derive their functional properties from complex relaxation dynamics that remain enigmatic under extreme conditions. While the temperature dependence of these relaxation processes is well-established, their behavior under…

The emergence of symmetry-breaking orders such as ferromagnetism and the weak interlayer bonding in van der Waals materials, offers a unique platform to engineer novel heterostructures and tune transport properties like thermal…

We analyse the behavior of the thermal conductivity, $\kappa(H)$, in the vortex state of a quasi-two-dimensional d-wave superconductor when both the heat current and the applied magnetic field are in the basal plane. At low temperature the…

Superconductivity · Physics 2009-10-31 I. Vekhter , P. J. Hirschfeld

The lattice thermal conductivity ($\kappa_{\rm L}$) of PbTiO$_3$ (PTO) is estimated using a combination of {\em ab initio} calculations and semiclassical Boltzmann transport equation. The computed $\kappa_{\rm L}$ is remarkably low, nearly…

Materials Science · Physics 2016-03-23 Anindya Roy

Carbon-fiber-reinforced polymers (CFRPs) are some of the most useful materials for building spacecraft and aerospace tools. They are especially valuable for systems that work at extremely cold (cryogenic) temperatures because they are…

Instrumentation and Methods for Astrophysics · Physics 2026-02-05 Valentin Sauvage

The effect of conductivity switching of wideband polymers -plasticized PVC films under the influence of mono axial pressure is experimentally investigated. For various plasticizers the value of monoaxial pressure, causing jumps of…

Chemical Physics · Physics 2010-11-01 D. V. Vlasov , L. A. Apresyan , V. I. Krystob , T. V. Vlasova

The transport coefficients of dense polymeric fluids are approximately calculated from the microscopic intermolecular forces. The following finite molecular weight effects are discussed within the Polymer-Mode-Coupling theory (PMC) and…

Condensed Matter · Physics 2009-10-30 Matthias Fuchs , Kenneth S. Schweizer

Thermal transport in highly anharmonic, amorphous, or alloyed materials often deviates from the predictions of conventional phonon-based models. First-principles approaches have introduced a coherent contribution to account for these…

Materials Science · Physics 2025-11-26 Đorđe Dangić

Reliable evaluation of the lattice thermal conductivity is of importance for optimizing the figure-of-merit of thermoelectric materials. Traditionally, when deriving the phonon mediated thermal conductivity $\kappa_{ph} = \kappa -…

Materials Science · Physics 2014-08-15 M. X. Chen , R. Podloucky

The poor thermal conductivity of bulk polymers may be enhanced by combining them with high thermal conductivity materials such as carbon nanotubes. Different from random doping, we find that the aligned carbon nanotube-polyethylene…

Materials Science · Physics 2015-04-01 Quanwen Liao , Zhichun Liu , Wei Liu , Chengcheng Deng , Nuo Yang

In this paper we introduce a method to estimate a pressure dependent thermal conductivity coefficient arising in a heat diffusion model with applications in food technology. To address the known smoothing effect of the direct problem, we…

Applications · Statistics 2019-03-08 Marcos A Capistran , Juan Antonio Infante del Rio

A coarse-grained molecular dynamics model of linear polyethylene-like polymer chain system was built to investigate the responds of structure and mechanical properties during uniaxial deformation. The influence of chain length, temperature,…

Soft Condensed Matter · Physics 2020-05-19 Cheng Li , Yingrui Shang , Huan Xu , Jinqing Li , Shichun Jiang

Studies of thermal transport in long-range (LR)interacting systems are currently particularly challenging. The main difficulties lie in the choice of boundary conditions and the definition of heat current when driving systems in an…

Statistical Mechanics · Physics 2020-02-25 Jianjin Wang , Sergey V. Dmitriev , Daxing Xiong

The advent of new-class of high-mobility semiconducting polymers opens up a window to address fundamental issues in electrical transport mechanism such as hopping between localized states versus extended state conduction. Here, we…

Materials Science · Physics 2015-06-23 Satyaprasad P. Senanayak , A. Z. Ashar , Catherine Kanimozhi , Satish Patil , K. S. Narayan

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

We derive annual skymaps of the proton temperature in the inner heliosheath (IHS), and track their temporal evolution over the years from 2009 to 2016 of Interstellar Boundary Explorer observations. Other associated thermodynamic parameters…

Solar and Stellar Astrophysics · Physics 2022-10-26 G. Livadiotis , D. J. McComas , H. O. Funsten , N. A. Schwadron , J. R. Szalay , E. Zirnstein

Effects of collective modes on thermoelectric properties of a charge density system is studied. We derive the temperature dependence of thermoelectric power and thermal conductivity by applying the linear response theory to Fr\"ohlich…

Other Condensed Matter · Physics 2007-05-23 Hiroyuki Yoshimoto , Susumu Kurihara

Deposits which form during the pneumatic transport of particles are a frequent source of explosions in industrial facilities. Thus, to contribute to the operational safety of industrial plants, we explore the deposit formation of powder…

Fluid Dynamics · Physics 2020-12-10 Nuki Susanti , Holger Grosshans
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