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We investigate the evolution of the cross-plane thermal conductivity $\kappa$ of superlattices (SLs) as interfaces change from perfectly abrupt to totally intermixed, by using non-equilibrium molecular dynamics simulations in combination…

Materials Science · Physics 2019-08-19 Xiaolong Yang , Wu Li

Manipulating fluids by light at the nanoscale has been a long-sought-after goal for lab-on-a-chip applications. Plasmonic heating has been demonstrated to control microfluidic dynamics due to the enhanced and confined light absorption from…

Optics · Physics 2023-08-01 Sen Yang , Justus C. Ndukaife

Polyimide (PI) thin films are widely used in advanced technologies, yet accurate characterization of their thermal properties remains challenging, as evidenced by significant inconsistencies in reported data and an incomplete understanding…

Applied Physics · Physics 2026-04-15 Bingjiang Zhang , Dihui Wang , Tao Chen , Heng Ban , Puqing Jiang

Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…

We introduce a spectroscopic approach to primary gas thermometry, harnessing precise optical cavity resonance frequencies and ab initio molecular line intensity calculations. By utilizing CO (3-0) vibrational band lines and cavity mode…

Total acoustic transmission between water and air is modeled using a purely solid interface comprising two elastic plates separated by periodically spaced ribs. The frequency of full transmission depends only on, and is inversely…

Applied Physics · Physics 2025-02-13 Hesam Bakhtiary Yekta , Andrew N. Norris

Heat transfer between a silver nanoparticle and surrounding water has been studied using molecular dynamics (MD) simulations. The thermal conductance (Kapitza conductance) at the interface between a nanoparticle and surrounding water has…

Materials Science · Physics 2019-03-29 Ali Rajabpour , Roham Seif , Saeed Arabha , Mohammad Mahdi Heyhat , Samy Merabia , Ali Hassanali

In situ thermal transport measurement of flowing fluid could be useful for the characterization and diagnosis of practical thermal systems such as fluid heat exchangers and thermal energy storage systems. Despite abundant reports on the…

Fluid Dynamics · Physics 2021-05-04 Jian Zeng , Ka Man Chung , Sarath Reddy Adapa , Tianshi Feng , Renkun Chen

Realization of intrinsic surface dominant transport in a wide temperature region for a topological insulators (TIs) is an important frontier research in order to promote the progresses of TIs towards the future electronics. We report here…

Materials Science · Physics 2019-05-22 Stephane Yu Matsushita , Khuong Kim Huynh , Katsumi Tanigaki

Phonon transmission across an interface between dissimilar crystalline solids is calculated using molecular dynamics simulations with interatomic force constants obtained from first principles. The results reveal that although inelastic…

Computational Physics · Physics 2015-06-09 Takuru Murakami , Takuma Hori , Takuma Shiga , Junichiro Shiomi

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

Understanding the thermal properties of two-dimensional (2D) materials and devices is essential for thermal management of 2D applications. Here we perform molecular dynamics simulations to evaluate both the specific heat of $MoS_{2}$ as…

Mesoscale and Nanoscale Physics · Physics 2019-08-02 Saurabh V. Suryavanshi , Alexander J. Gabourie , Amir Barati Farimani , Eric Pop

By studying the temperature-dependent behavior of electron thermal conductivity (k) in a 3.2 nm-thin film, we quantify the extremely confined defect-electron scattering and reveal the intrinsic phonon-electron scattering that is shared by…

Mesoscale and Nanoscale Physics · Physics 2015-01-16 Zhe Cheng , Zaoli Xu , Shen Xu , Xinwei Wang

The surface tension coefficient is a key parameter in fluid mechanics. The conventional method to measure it is to determine the critical surface tension that causes the rupture of a liquid film. However, this method has a large error…

Fluid Dynamics · Physics 2025-01-10 Ziyi Xu , Chongyuan Xu , Liwen Tong , Keyu Chen , Ziwei Dong

Decrease in the size of integrated circuits (IC) and metal interconnects raise resistivity due the amplification of electron scattering effects, which decreases the efficiency of chiplets. While previous studies have investigated the…

Mesoscale and Nanoscale Physics · Physics 2026-01-23 Sihe Chen , Kevin Batzinger , Manuel Smeu

We have developed a microfluidic tool to measure the diffusion coefficient $D$ of solutes in an aqueous solution, by following the temporal relaxation of an initially steep concentration gradient in a microchannel. Our chip exploits…

Soft Condensed Matter · Physics 2022-08-23 Hoang-Thanh Nguyen , Anne Bouchaudy , Jean-Baptiste Salmon

Thermal annealing is a widely used thin-film processing technique for modifying interfacial optical losses and electronic scattering in plasmonic materials. Here, we investigate how thermal annealing of gold thin films deposited on silicon…

Optics · Physics 2026-01-09 A. Márquez , R. Esquivel-Sirvent

Atomically thin materials such as graphene and semiconducting transition metal dichalcogenides (TMDCs) have attracted extensive interest in recent years, motivating investigation into multiple properties. In this work, we demonstrate a…

Materials Science · Physics 2015-09-24 Xian Zhang , Dezheng Sun , Yilei Li , Gwan-Hyoung Lee , Xu Cui , Daniel Chenet , Yumeng You , Tony Heinz , James Hone

Topological insulators are guaranteed to support metallic surface states on an insulating bulk, and one should thus expect that the electronic transport in these materials is dominated by the surfaces states. Alas, due to the high remaining…

Cross-plane thermal conductivity in homogeneous transition metal dichalcogenides (TMDs) exhibits a strong dependence on twist angle, originating from atomic reconstruction within moir\'e superlattices. This reconstruction redistributes…

Materials Science · Physics 2025-05-02 Wenwu Jiang , Ting Liang , Hekai Bu , Jianbin Xu , Wengen Ouyang
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