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Ordered crystalline compounds exhibiting ultralow and glass-like thermal conductivity are both fundamentally and technologically important, where phonon quasi-particles dominate their heat transport. Understanding the microscopic mechanisms…

Materials Science · Physics 2025-09-04 Shantanu Semwal , Yi Xia , Chris Wolverton , Koushik Pal

While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…

Mesoscale and Nanoscale Physics · Physics 2020-03-05 Xiaokun Gu , Shouhang Li , Hua Bao

Heat transport can be modelled with a variety of approaches in real space (using molecular dynamics) or in reciprocal space (using the Boltzmann transport equation). Employing two conceptually different approaches of each type, we study…

Materials Science · Physics 2025-03-19 Lukas Reicht , Lukas Legenstein , Sandro Wieser , Egbert Zojer

We report a numerical investigation on the heat transfer through one dimensional arrays of metallic nanoparticles closely spaced in a host material. Our simulations show that the multipolar interactions play a crucial role in the heat…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Philippe Ben-Abdallah , Karl Joulain , Jérémie Drevillon , Clément Le Goff

Controlling thermal transport at the nanoscale is vital for many applications. Previously, it has been shown that this control can be achieved with periodically nanostructured two-dimensional phononic crystals, for the case of suspended…

Mesoscale and Nanoscale Physics · Physics 2024-06-12 Samuli Heiskanen , Tuomas Puurtinen , Ilari J. Maasilta

The quest to improve the thermoelectric figure of merit has mainly followed the roadmap of lowering the thermal conductivity while keeping unaltered the power factor of the material. Ideally an electron-crystal phonon-glass system is…

In this paper we present theoretical analysis of the electron transport in conducting polymers. We concentrate on the study of the effects of temperature on characteristics of the transport. We treat a conducting polymers in a metal state…

Materials Science · Physics 2008-10-23 Natalya A. Zimbovskaya

In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…

Low thermal conductivity is favorable for preserving the temperature gradient between the two ends of a thermoelectric material in order to ensure continuous electron current generation. In high-performance thermoelectric materials, there…

Boundary-engineering in nanostructures has the potential to dramatically impact the development of materials for high-efficiency conversion of thermal energy directly into electricity. In particular, nanostructuring of semiconductors can…

Materials Science · Physics 2016-10-04 Giuseppe Romano , Alexie M. Kolpak

Tuning thermal transport in nanostructures is essential for many applications, such as thermal management and thermoelectrics. Nanophononic metamaterials (NPM) have shown great potential for reducing thermal conductivity by introducing…

Materials Science · Physics 2024-09-10 Lina Yang , Yixin Xu , Xianheng Wang , Yanguang Zhou

Vapour-deposited organic glasses are currently in use in many optoelectronic devices. Their operation temperature is limited by the glass transition temperature of the organic layers and thermal management strategies become increasingly…

Low thermal conductivity of polymers, which is one of the considerable drawbacks of commonly used composite structures, has been the focus of many researchers aiming to achieve high-performance polymer-based nanocomposites through the…

Materials Science · Physics 2021-06-22 Leila Razzaghi , Maryam Khalkhali , Ali Rajabpour , Farhad Khoeini

This review summarizes recent studies of thermal transport in nanoscaled semiconductors. Different from bulk materials, new physics and novel thermal properties arise in low dimensional nanostructures, such as the abnormal heat conduction,…

Mesoscale and Nanoscale Physics · Physics 2013-01-14 Nuo Yang , Xiangfan Xu , Gang Zhang , Baowen Li

The thermal conductivity of polycrystalline semiconductors with type-I clathrate hydrate crystal structure is reported. Ge clathrates (doped with Sr and/or Eu) exhibit lattice thermal conductivities typical of amorphous materials.…

Materials Science · Physics 2009-10-31 J. L. Cohn , G. S. Nolas , V. Fessatidis , T. H. Metcalf , G. A. Slack

Prior ultralow thermal conductivity materials are not suitable for thermoelectric applications due to the limited electronic transport in the materials. Here, we present a new class of ultralow thermal conductivity materials with…

Materials Science · Physics 2018-06-27 Bin Huang , Weidong Zheng , Yee Kan Koh

The thermal conductance by phonons of a quasi-one-dimensional solid with isotope or defect scattering is studied using the Landauer formalism for thermal transport. The conductance shows a crossover from localized to Ohmic behavior, just as…

Disordered Systems and Neural Networks · Physics 2009-11-13 P. G. Murphy , J. E. Moore

In recent years, nanostructuring of dielectric and semiconducting crystals has enhanced controllability of their thermal conductivity. To carry out computational material search for nanostructured materials with desirable thermal…

Mesoscale and Nanoscale Physics · Physics 2016-02-23 Takuma Shiga , Daisuke Aketo , Lei Feng , Junichiro Shiomi

We explore polaronic quantum transport in three-dimensional models of disordered organic crystals with strong coupling between electronic and vibrational degrees of freedom. By studying the polaron dynamics in a static disorder environment,…

Materials Science · Physics 2015-06-03 Frank Ortmann , Stephan Roche

Thermal conductivities (TCs) of the vast majority of amorphous polymers are in a very narrow range, 0.1 $\sim$ 0.5 Wm$^{-1}$K$^{-1}$, although single polymer chains possess TC of orders-of-magnitude higher. Entanglement of polymer chains…

Soft Condensed Matter · Physics 2020-01-22 Jun Zhou , Qing Xi , Jixiong He , Xiangfan Xu , Tsuneyoshi Nakayama , Yuanyuan Wang , Jun Liu