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Tuning thermal transport in nanostructured materials is a powerful approach to develop high-efficiency thermoelectric materials. Using a recently developed approach based on the phonon mean free path dependent Boltzmann transport equation,…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Giuseppe Romano , Jeffrey C. Grossman

Grain boundaries (GBs) strongly influence thermal transport in crystalline solids by disrupting lattice periodicity and scattering phonons. Due to the atomic-level disorder and structural complexity, a fundamental understanding of how…

We study the magnetic and lattice contributions to the thermal conductivity of electrically insulating strongly spin-orbit coupled magnetically ordered phases on a two-dimensional honeycomb lattice using the Kitaev-Heisenberg model.…

Mesoscale and Nanoscale Physics · Physics 2017-02-20 Georgios L. Stamokostas , Panteleimon E. Lapas , Gregory A. Fiete

Layered systems shows anisotropic transport properties. The interlayer conductivity show a general temperature dependence for a wide class of materials. This can be understood if conduction occurs in two different channels activated at…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Urban Lundin , Ross H. McKenzie

If aspherical dust grains are immersed in an anisotropic radiation field, their temperature depends on the cross-sections projected in the direction of the anisotropy.It was shown that the temperature difference produces polarized thermal…

Astrophysics · Physics 2009-10-31 Takashi Onaka

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…

The thermophysical properties near the magnetic phase transition point is of great importance in the study of critical phenomenon. Low-dimensional materials are suggested to hold different thermophysical properties comparing to their bulk…

Mesoscale and Nanoscale Physics · Physics 2022-01-05 Qing Xi , Adili Ayiti , Lan Dong , Yuanyuan Wang , Jun Zhou , Xiangfan Xu

We reveal that phononic thermal transport in graphene is not immune to grain boundaries (GBs) aligned along the direction of the temperature gradient. Non-equilibrium molecular dynamics simulations uncover a large reduction in the phononic…

Mesoscale and Nanoscale Physics · Physics 2021-04-12 Zhen Tong , Alessandro Pecchia , ChiYung Yam , Traian Dumitricǎ , Thomas Frauenheim

Elemental 2D materials exhibit intriguing heat transport and phononic properties. Here we have investigated the lattice thermal conductivity of newly proposed arsenene, the 2D honeycomb structure of arsenic, using {\it ab initio}…

Materials Science · Physics 2016-02-24 M. Zeraati , S. M. Vaez Allaei , I. Abdolhosseini Sarsari , M. Pourfath , D. Donadio

The phonon and electron transport in single-walled carbon nanotubes (SWCNT) are investigated using the nonequilibrium Green's function approach. In zigzag SWCNT ($n$, 0) with $mod(n,3)\not=0$, the thermal conductance is mainly attributed to…

Materials Science · Physics 2015-03-17 Jin-Wu Jiang , Jian-Sheng Wang , Baowen Li

Semi-crystalline polymers have been shown to have greatly increased thermal conductivity compared to amorphous bulk polymers due to effective heat conduction along the covalent bonds of the backbone. However, the mechanisms governing the…

Mesoscale and Nanoscale Physics · Physics 2015-12-09 Andrew B. Robbins , Austin J. Minnich

This paper studies thermal transport in nanoporous silicon with a significant specific surface area. First, the equilibrium molecular dynamics approach was used to obtain the dependence of thermal conductivity on a specific surface area.…

Mesoscale and Nanoscale Physics · Physics 2023-05-15 Mykola Isaiev , Yuliia Mankovska , Vasyl Kuryliuk , David Lacroix

We study ballistic thermal transport in Heisenberg spin chain with nearest-neighbor ferromagnetic interactions at low temperatures. Explicit expressions for transmission coefficients are derived for thermal transport in a periodic spin…

Statistical Mechanics · Physics 2008-10-16 Lifa Zhang , Jian-Sheng Wang , Baowen Li

Transport properties of the classical antiferromagnetic XXZ model on the square lattice have been theoretically investigated, putting emphasis on how the occurrence of a phase transition is reflected in spin and thermal transports. As is…

Strongly Correlated Electrons · Physics 2019-10-16 Kazushi Aoyama , Hikaru Kawamura

Using molecular dynamics simulations in a planar graphene sheet, we investigate the temperature dependence of its mechanical behavior under uniaxial tensile stress applied either along the armchair or the zigzag direction. Stress-strain…

Materials Science · Physics 2025-10-28 Sané Erasmus , Charalampos Skokos , George Kalosakas

We compute the anisotropic in-plane thermal conductivity of suspended single-layer black phosphorous (SLBP) using three molecular dynamics (MD) based methods, including the equilibrium MD method, the nonequilibrium MD (NEMD) method, and the…

Materials Science · Physics 2018-10-19 Ke Xu , Zheyong Fan , Jicheng Zhang , Ning Wei , Tapio Ala-Nissila

Active thermal management requires advances in thermal switching materials, whose thermal conductivity responds to external stimuli. The electric field, as one of the most convenient and effective stimuli, has shown great potential in…

Materials Science · Physics 2025-11-20 Fanghao Zhang , Guanchun Rui , Yujie Quan , Shantal Adajian , Matthew Delmont , Q. M. Zhang , Bolin Liao

We study transport properties of a phosphorene monolayer in the presence of single and multiple potential barriers of height $U_0$ and width $d$, using both continuum and microscopic lattice models, and show that the nature of electron…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Sangita De Sarkar , Amit Agarwal , K. Sengupta

Rhenium disulfide (ReS2) is a unique TMDC with a strong in-plane anisotropy and weak interlayer coupling. The pronounced anisotropy in the thermal conductivity observed in bulk ReS2 flakes (exceeding 60 nm) makes them valuable for…

Mesoscale and Nanoscale Physics · Physics 2025-06-12 Manavendra Pratap Singh , Akshay Naik

Using molecular dynamics(MD) simulations, we study thermal transport in graphene nanoribbons (GNR) subjected to uniform uniaxial and nonuniform strain fields. We predict significant thermal rectification (over 70%) in a rectangular armchair…

Materials Science · Physics 2012-05-24 K. G. S. H. Gunawardana , Kieran Mullen , Jiuning Hu , Yong P. Chen , Xiulin Ruan