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We present a theoretical study of the heat dissipation in single-molecule junctions. In order to investigate the heat dissipation in the electrodes and the relationship between the transmission spectra and the electronic structures, we…

Mesoscale and Nanoscale Physics · Physics 2016-08-09 Yaghoob Naimi , Javad Vahedi

We study compressible fluid flow in narrow two-dimensional channels using a novel molecular dynamics simulation method. In the simulation area, an upstream source is maintained at constant density and temperature while a downstream…

Condensed Matter · Physics 2009-10-22 M. Sun , C. Ebner

In this article we consider two different heat conducting fluids each modelled by the incompressible Navier-Stokes-Fourier system separated by a non-linear elastic Koiter shell. The motion of the shell changes the domain of definition of…

Analysis of PDEs · Mathematics 2026-02-12 Sourav Mitra , Sebastian Schwarzacher

Within the theory of interacting continua, we develop a model for a heat conducting mixture of two interacting fluids described in terms of the densities and the velocities for each fluid and the temperature field for the mixture as a…

Soft Condensed Matter · Physics 2021-09-02 Josef Málek , Ondřej Souček

Energy dissipation is a fundamental process governing the dynamics of physical, chemical, and biological systems. It is also one of the main characteristics distinguishing quantum and classical phenomena. In condensed matter physics, in…

Recrystallization of glasses is important in a wide range of applications including electronics and reactive materials. Molecular dynamics (MD) has been used to provide an atomic picture of this process, but prior work has neglected the…

Materials Science · Physics 2022-09-05 Zachary D. McClure , Samuel Temple Reeve , Alejandro Strachan

We present an original method to estimate the conductivity of a single molecule anchored to nanometric-sized metallic electrodes, using a Mechanically Controlled Break Junction (MCBJ) operated at room temperature in liquid. We record the…

Mesoscale and Nanoscale Physics · Physics 2018-03-16 M. Gil , T. Malinowski , M. Iazykov , H. Klein

Understanding phononic heat transport processes in molecular junctions is a central issue in the developing field of nanoscale heat conduction and manipulation. Here we present a Stochastic Nonequlibrium Molecular Dynamics simulation…

Materials Science · Physics 2021-02-04 Inon Sharony , Renai Chen , Abraham Nitzan

When modelling phase change, the latent heat released (absorbed) during solidification (melting) must be included in the heat transfer equation. In this paper, different SPH methods for the implementation of latent heat, in the context of…

Fluid Dynamics · Physics 2018-02-21 Amirsaman Farrokhpanah , Markus Bussmann , Javad Mostaghimi

Evaporative mass flux is governed by interfacial state of liquid and vapor phases. For closely similar pressures and mass fluxes of liquid water into its own vapor, discontinuity between interfacial liquid and vapor temperatures in the…

Chemical Physics · Physics 2019-09-19 Parham Jafari , Amit Amritkar , Hadi Ghasemi

We present a numerical model allowing to determine the electron and lattice temperature dynamics in a gold nanoparticle under subpicosecond pulsed excitation, as well as that of the surrounding medium. For this, we have used the…

Materials Science · Physics 2008-12-18 Majid Rashidi-Huyeh , Sebastian Volz , Bruno Palpant

Equilibrium molecular dynamics simulations, in combination with the Green-Kubo (GK) method, have been extensively used to compute the thermal conductivity of liquids. However, the GK method relies on an ambiguous definition of the…

Computational Physics · Physics 2020-09-30 Bingqing Cheng , Daan Frenkel

Thermo-osmosis refers to fluid migration due to temperature gradient. The mechanistic understanding of thermo-osmosis in charged nano-porous media is still incomplete, while it is important for several environmental and energy applications,…

Chemical Physics · Physics 2023-07-14 Wei Qiang Chen , Andrey P Jivkov , Majid Sedighi

We present a multi-scale formalism that accounts for the formation of nano-scale bubbles/cavities owing to a burst of water molecules after the passage of high energy charged particles that leads to the formation of hot non-ionizing…

Quantum thermodynamics is a promising route to unambiguous detections of Majorana bound states. Being fundamentally different from quantum transport, this approach reveals unique Majorana thermodynamic behavior and deepens our insight into…

Mesoscale and Nanoscale Physics · Physics 2021-11-12 Sergey Smirnov

Conducting materials typically exhibit either diffusive or ballistic charge transport. However, when electron-electron interactions dominate, a hydrodynamic regime with viscous charge flow emerges (1-13). More stringent conditions…

The emerging quantum technological apparatuses [1,2], such as the quantum computer [3-5], call for extreme performance in thermal engineering at the nanoscale [6]. Importantly, quantum mechanics sets a fundamental upper limit for the flow…

Mesoscale and Nanoscale Physics · Physics 2015-10-15 Matti Partanen , Kuan Yen Tan , Joonas Govenius , Russell E. Lake , Miika K. Mäkelä , Tuomo Tanttu , Mikko Möttönen

In this work, we obtain the numerical temperature field to a thermally developing fluid flow inside parallel plates problem with a quantum computing method. The physical problem deals with the heat transfer of a steady state,…

We consider a molecular junction immersed in a solvent where the electron transfer is dominated by Marcus-type steps. However, the successive nature of the charge transfer through the junction does not imply that the solvent reach thermal…

Statistical Mechanics · Physics 2022-03-23 Henning Kirchberg , Abraham Nitzan

Knowledge of thermal properties is essential to design and evaluate thermal systems and processes using nanofluids. This paper presents different analytical models to predict thermal conductivity and viscosity. The efforts have been made to…

Fluid Dynamics · Physics 2021-02-25 Shankar Durgam , Ganesh Kadam