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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…

Thermal transport of nanocrystalline Si is of great importance for the application of thermoelectrics. A better understanding of the modal thermal conductivity of nanocrystalline Si will be expected to benefit the efficiency of…

Materials Science · Physics 2023-03-15 Lina Yang , Yi Jiang , Yanguang Zhou

The microscopic physics behind the lattice thermal conductivity of NiTiSn is investigated using first-principles-based anharmonic lattice dynamics. The calcu lated lattice thermal conductivity of bulk materials (5.3 W/m.K) is in good…

Materials Science · Physics 2016-07-20 Patrick Hermet , Philippe Jund

Engineering thermal transport in two dimensional materials, alloys and heterostructures is critical for the design of next-generation flexible optoelectronic and energy harvesting devices. Direct experimental characterization of lattice…

Materials Science · Physics 2021-02-22 Aravind Krishnamoorthy , Nitish Baradwaj , Aiichiro Nakano , Rajiv K. Kalia , Priya Vashishta

Size effects on vibrational modes in complex crystals remain largely unexplored, despite their importance in a variety of electronic and energy conversion technologies. Enabled by advances in a four-probe thermal transport measurement…

Materials with very low thermal conductivity are of high interest for both thermoelectric and optical phase-change applications. Synthetic nanostructuring is most promising to suppress thermal conductivity by scattering phonons, but…

Due to the rapid development of micro- and nano-manufacturing and electronic devices, heat transfer at the transition regime between radiation and conduction becomes increasingly important. Recent work has demonstrated the importance of…

Mesoscale and Nanoscale Physics · Physics 2026-05-29 Wei-Zhe Yuan , Yangyu Guo , Hong-Liang Yi

We theoretically investigate thermal conductivity in silicon nanomeshes using Monte Carlo simulations of phonon transport. Silicon membranes of 100nm thickness with randomly located pores of 50nm diameter are considered. The effects of…

Materials Science · Physics 2014-06-02 Stefanie Wolf , Neophytos Neophytou , Hans Kosina

Computationally efficient modeling of the thermal conductivity of materials is crucial to thorough experimental planning and theoretical understanding of thermal properties. We present a modeling approach in this work that utilizes…

Mesoscale and Nanoscale Physics · Physics 2017-09-28 Long Chen , Jeffrey L. Braun , Brian F. Donovan , Patrick E. Hopkins , S. Joseph Poon

The thermal conductivity of a crystal is sensitive to the presence of surfaces and nanoscale defects. While this opens tremendous opportunities to tailor thermal conductivity, a true "phonon engineering" of nanocrystals for a specific…

Materials Science · Physics 2012-07-16 Xiaowang Zhou , Reese E. Jones

We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…

Mesoscale and Nanoscale Physics · Physics 2022-11-09 Fabian Müller , Peter Nielaba , Juan Carlos Cuevas , Fabian Pauly

A comprehensive rational thermal material design paradigm requires the ability to reduce and enhance the thermal conductivities of nanomaterials. In contrast to the existing ability to reduce the thermal conductivity, methods that allow to…

Mesoscale and Nanoscale Physics · Physics 2017-10-09 Abhinav Malhotra , Kartik Kothari , Martin Maldovan

We determine the size effect on the lattice thermal conductivity of nanoscale wire and multilayer structures formed in and by some typical semiconductor materials, using the Boltzmann transport equation and focusing on the Knudsen flow…

Materials Science · Physics 2009-11-11 Eleni Ziambaras , Per Hyldgaard

The thermal conductivity of a freestanding single-crystal silicon membrane may be reduced significantly by attaching nanoscale pillars on one or both surfaces. Atomic resonances of the nanopillars locally and intrinsically couple with the…

Mesoscale and Nanoscale Physics · Physics 2021-09-01 Hossein Honarvar , Mahmoud I. Hussein

Nanostructuring on length scales corresponding to phonon mean free paths provides control over heat flow in semiconductors and makes it possible to engineer their thermal properties. However, the influence of boundaries limits the validity…

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

We present the concept of a locally resonant nanophononic metamaterial for thermoelectric energy conversion. Our configuration, which is based on a silicon thin-film with a periodic array of pillars erected on one or two of the free…

Materials Science · Physics 2014-12-01 Bruce L. Davis , Mahmoud I. Hussein

Thermal properties have an outsized impact on efficiency and sensitivity of devices with nanoscale structures, such as in integrated electronic circuits. A number of thermal conductivity measurements for semiconductor nanostructures exist,…

Following the emergence of many novel two-dimensional (2-D) materials beyond graphene, interest has grown in exploring implications for fundamental physics and practical applications, ranging from electronics, photonics, phononics, to…

Materials Science · Physics 2018-12-05 Xiaokun Gu , Yujie Wei , Xiaobo Yin , Baowen Li , Ronggui Yang

The high breakdown current densities and resilience to scaling of the metallic transition metal trichalcogenides TaSe3 and ZrTe3 make them of interest for possible interconnect applications, and it motivates this study of their thermal…

Materials Science · Physics 2021-04-07 Topojit Debnath , Bishwajit Debnath , Roger K. Lake