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The reverse perturbation method [Phys. Rev. E 59, 4894 (1999)] for shearing simple liquids and measuring their viscosity is extended to the Vicsek-model (VM) of active particles [Phys. Rev. Lett. 75, 1226 (1995)] and its metric-free…

Soft Condensed Matter · Physics 2019-10-23 Arash Nikoubashman , Thomas Ihle

We have developed an efficient scalable kernel method for thermal transport in open systems, with which we have computed the thermal conductance of a junction between bulk silicon and silicon nanowires with diameter up to 10 nm. We have…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Ivan Duchemin , Davide Donadio

The transport property of cold and dense nucleon matter is important for nuclear physics but is relatively less studied than that at finite temperatures. In this paper, we present a primary study of bulk and shear viscosities in the limit…

Nuclear Theory · Physics 2025-04-09 Jianing Li , Weiyao Ke

We present results of molecular dynamics (MD) calculations of the effective thermal conductivity of nanofluids containing self-propelled nanoparticles. The translational and rotational dynamics observed in the simulations follow the…

Soft Condensed Matter · Physics 2024-06-19 Wei Peng , Anirban Chandra , Pawel Keblinski , Jeffrey L. Moran

The thermal conductivity of nanometric objects or nanostructured materials can be determined using non equilibrium molecular dynamics (NEMD) simulations. The technique is simple in its principle, and resembles a numerical guarded hot plate…

Materials Science · Physics 2007-05-23 Patrice Chantrenne , Jean-Louis Barrat

Motivated by recent experiments on electric transport through single molecules and quantum dots, we investigate a model for transport that allows for significant coupling between the electrons and a boson mode isolated on the molecule or…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Urban Lundin , Ross H. McKenzie

The existing kinetic theory of gases is based on an analytical approach that becomes intractable for all but the simplest molecules. Here we propose a simple numerical scheme to compute the transport properties of molecular gases in the…

Soft Condensed Matter · Physics 2020-08-25 Xipeng Wang , Simón Ramírez-Hinestrosa , Daan Frenkel

The introduction of liquid 3He into silica aerogel provides us a with model system in which to study the effects of disorder on the properties of a strongly correlated Fermi liquid. The transport of heat, mass and spin exhibits cross-over…

Other Condensed Matter · Physics 2010-11-16 J. A. Sauls , Priya Sharma

In a previous paper [Physical Review B \textbf{103}, 035417 (2021)], we showed that the equilibrium molecular dynamics (EMD) method can be used to compute the apparent thermal conductivity of finite systems. It has been shown that the…

Materials Science · Physics 2022-07-28 Haikuan Dong , Zheyong Fan , Ping Qian , Yanjing Su

We propose a way to properly interpret the apparent thermal conductivity obtained for finite systems using equilibrium molecular dynamics simulations (EMD) with fixed or open boundary conditions in the transport direction. In such systems…

Statistical Mechanics · Physics 2021-01-27 Haikuan Dong , Shiyun Xiong , Zheyong Fan , Ping Qian , Yanjing Su , Tapio Ala-Nissila

We review studies of vibrational energy transfer in a molecular junction geometry, consisting of a molecule bridging two heat reservoirs, solids or large chemical compounds. This setup is of interest for applications in molecular…

Mesoscale and Nanoscale Physics · Physics 2016-06-22 Dvira Segal , Bijay Kumar Agarwalla

Molecular dynamics (MD) simulations are used to calculate transport coefficients in a two-component plasma interacting through a repulsive Coulomb potential. The thermal conductivity, electrical conductivity, electrothermal coefficient,…

Plasma Physics · Physics 2025-11-14 Briggs Damman , Jarett LeVan , Scott Baalrud

The main focus of this article is to obtain various transport coefficients for a hot QCD medium that is produced while colliding two heavy nuclei ultra-relativistically. As the hot QCD medium follows dissipative hydrodynamics while…

Nuclear Theory · Physics 2017-11-15 Sukanya Mitra , Vinod Chandra

The static and dynamic properties of binary mixtures of hard spheres with a diameter ratio of $\sigma_B/\sigma_A=0.1$ and a mass ratio of $m_B/m_A=0.001$ are investigated using event driven molecular dynamics. The contact value of the pair…

Soft Condensed Matter · Physics 2013-09-30 Marcus N. Bannerman , Leo Lue

The dominant modes of charge transport in variant polar liquid based nanoparticulate colloidal dispersions (dilute) have been theorized. Theories formulating electrical characteristics of colloids have often been found to over or under…

Soft Condensed Matter · Physics 2015-12-01 Purbarun Dhar , Arvind Pattamatta , Sarit K. Das

The thermoelectric transport through a molecular bridge is discussed, with an emphasis on the effects of inelastic processes of the transport electrons caused by the coupling to the vibrational modes of the molecule. In particular it is…

Mesoscale and Nanoscale Physics · Physics 2015-03-17 O. Entin-Wohlman , Y. Imry , A. Aharony

We present a holographic perspective on momentum transport in strongly coupled, anisotropic non-Abelian plasmas in the presence of strong magnetic fields. We compute the anisotropic heavy quark drag forces and Langevin diffusion…

High Energy Physics - Phenomenology · Physics 2017-06-26 Stefano Ivo Finazzo , Renato Critelli , Romulo Rougemont , Jorge Noronha

Charge and heat transport through a single molecule tunnel-coupled to external normal electrodes have been studied. The molecule with sufficiently strong interaction between lectrons and vibrational internal degrees of freedom can be…

Mesoscale and Nanoscale Physics · Physics 2012-04-16 Karol Izydor Wysokinski

A study of the transport coefficients of a system of elastic hard disks, based on the use of Helfand-Einstein expressions is reported. The self-diffusion, the viscosity, and the heat conductivity are examined with averaging techniques…

Statistical Mechanics · Physics 2016-08-16 Ramón García-Rojo , Stefan Luding , J. Javier Brey

The evaluation of transport coefficients in extended systems, such as thermal conductivity or shear viscosity, is known to require impractically long simulations, thus calling for a paradigm shift that would allow to deploy state-of-the-art…

Statistical Mechanics · Physics 2019-09-30 Loris Ercole , Aris Marcolongo , Stefano Baroni