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Inorganic clathrates such as Ba$_8$Ga$_{x}$Ge$_{46-x}$ and Ba$_8$Al$_{x}$Si$_{46-x}$ commonly exhibit very low thermal conductivities. A quantitative computational description of this important property has proven difficult, in part due to…

Lattice thermal conductivity (LTC) is a critical parameter for thermal transport properties, playing a pivotal role in advancing thermoelectric materials and thermal management technologies. Traditional computational methods, such as…

Materials Science · Physics 2025-09-22 Yuxuan Zeng , Wei Cao , Yijing Zuo , Tan Peng , Yue Hou , Ling Miao , Ziyu Wang , Jing Shi

Numerical calculations of lattice thermal conductivity are reported for the binary alloys NiPd and NiPt. The present work is a continuation of an earlier paper by us [PRB, 72, 214207 (2005)]which had developed a theoretical framework for…

Materials Science · Physics 2013-12-25 Aftab Alam , Abhijit Mookerjee

The lattice thermal conductivity of the candidate thermoelectric material Mg$_3$Sb$_2$ is studied from first principles, with the inclusion of anharmonic, isotope, and boundary scattering processes, and via an accurate solution of the…

Materials Science · Physics 2018-12-11 Maria Barbara Maccioni , Roberta Farris , Vincenzo Fiorentini

Reducing thermal conductivity ($\kappa$) is an efficient way to boost the thermoelectric performance to achieve direct solid-state conversion to electrical power from thermal energy, which has lots of valuable applications in reusing waste…

Materials Science · Physics 2019-04-02 Guangzhao Qin , Zhenzhen Qin , Huimin Wang , Ming Hu

Thermoelectric technology is an alternate way to efficiently utilize the energy by converting waste heat into electricity. Thermoelectric requires material with low thermal conductivity to improves its thermoelectric performance. In this…

Materials Science · Physics 2021-01-22 Rajmohan Muthaiah , Jivtesh Garg

An ultralow lattice thermal conductivity of 0.14 W$\cdot$ m$^{-1} \cdot$ K$^{-1}$ along the $\vec b$ axis of As$_2$Se$_3$ single crystals was obtained at 300 K by first-principles calculations involving the density functional theory and the…

Materials Science · Physics 2017-12-18 Robert L. González-Romero , Alex Antonelli , Anderson S. Chaves , Juan J. Meléndez

Polymers are widely used in industry and in our daily life because of their diverse functionality, light weight, low cost and excellent chemical stability. However, on some applications such as heat exchangers and electronic packaging, the…

Materials Science · Physics 2018-05-16 Congliang Huang , Xin Qian , Ronggui Yang

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

The discovery of superconducting materials has led to their use in technological marvels such as magnetic-field sensors in MRI machines, powerful research magnets, short transmission cables, and high-speed trains. Despite such applications,…

Superconductivity · Physics 2017-01-19 Lance M. N. Konzen , Athena S. Sefat

Medium and high entropy ceramics, with their distinctive disordered structures, exhibit ultra-low thermal conductivity and high temperature stability. These properties make them strong contenders for next generation thermal barrier coating…

Materials Science · Physics 2024-05-27 Yuxuan Wang , Guoqiang Lan , Jun Song

Lattice thermal conductivity (kL) is a crucial physical property of crystals with applications in thermal management, such as heat dissipation, insulation, and thermoelectric energy conversion. However, accurately and rapidly determining kL…

Materials Science · Physics 2024-10-08 Xiaoying Wang , Guoyu Shu , Guimei Zhu , Jiansheng Wang , Jun Sun , Xiangdong Ding , Baowen Li , Zhibin Gao

Diminution of the thermal conductivity is a crucial aspect in thermoelectric research. We report a systematic and significant reduction of the cross-plane thermal conductivity in a model system consisting of DC sputtered TiNiSn and HfNiSn…

Improving the figure of merit $zT$ of thermoelectric materials requires simultaneously a high power factor and low thermal conductivity. An effective approach for increasing the power factor is to align the band extremum and achieve high…

Materials Science · Physics 2019-03-06 Jiangang He , Yi Xia , S. Shahab Naghavi , Vidvuds Ozoliņš , Chris Wolverton

We present a rigorous asymptotic analysis framework for investigating the thermal conductivity of shell lattice metamaterials, extending prior work from mechanical stiffness to heat transfer. Central to our analysis is a new metric, the…

Analysis of PDEs · Mathematics 2025-06-30 Di Zhang , Ligang Liu

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

We study thermoelectric transport at low temperatures in correlated Kondo insulators, motivated by the recent observation of a high thermoelectric figure of merit(ZT) in $FeSb_2$ at $T \sim 10 K$. Even at room temperature, correlations have…

Materials Science · Physics 2013-08-14 Seungmin Hong , Pouyan Ghaemi , Joel E. Moore , Philip W. Phillips

The value measured in the amorphous structure with the same chemical composition is often considered as a lower bound for the thermal conductivity of any material: the heat carriers are strongly scattered by disorder, and their lifetimes…

Materials Science · Physics 2015-09-17 Hideyuki Mizuno , Stefano Mossa , Jean-Louis Barrat

The discovery of novel high-temperature superconductor materials holds transformative potential for a wide array of technological applications. However, the combinatorially vast chemical and configurational search space poses a significant…

Superconductivity · Physics 2025-02-25 Xiaoyang Wang , Chengqian Zhang , Zhenyu Wang , Hanyu Liu , Jian Lv , Han Wang , Weinan E , Yanming Ma

We present measurements of the low temperature thermal conductivity for materials useful in the construction of cryogenic supports for scientific instrumentation and in the fabrication of flat flexible cryogenic cabling. The materials we…

Instrumentation and Detectors · Physics 2019-01-11 M. Daal , N. Zobrist , N. Kellaris , B. Sadoulet , M. Robertson