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Electrokinetic flows of an aqueous NaCl solution in nanochannels with negatively charged surfaces are studied using molecular dynamics (MD) simulations. The four transport coefficients that characterise the response to weak electric and…

Chemical Physics · Physics 2014-06-05 Hiroaki Yoshida , Hideyuki Mizuno , Tomoyuki Kinjo , Hitoshi Washizu , Jean-Louis Barrat

In this letter, we explore electron filtering as a technique to increase Seebeck coefficient and the thermoelectric power factor of heterostructured materials over that of the bulk. We present a theoretical model in which Seebeck…

Materials Science · Physics 2007-05-23 J. M. O. Zide , D. Vashaee , G. Zeng , J. E. Bowers , A. Shakouri , A. C. Gossard

Employing recent advances in response theory and nonequilibrium ensemble reweighting, we study the dynamic and static correlations that give rise to an electric field-dependent ionic conductivity in electrolyte solutions. We consider…

Soft Condensed Matter · Physics 2021-07-28 Dominika Lesnicki , Chloe Y. Gao , David T. Limmer , Benjamin Rotenberg

In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…

Numerical Analysis · Mathematics 2025-02-19 Pierre Monmarché , Renato Spacek , Gabriel Stoltz

The conductivity of ionic solutions is arguably their most important trait, being widely used in electrochemical, biochemical, and environmental applications. The Debye-H\"uckel-Onsager theory successfully predicts the conductivity at very…

Soft Condensed Matter · Physics 2023-01-03 Yael Avni , Ram M. Adar , David Andelman , Henri Orland

We present an analytical model for the Seebeck coefficient S of superlattice materials that explicitly takes into account the energy relaxation due to electron-optical phonon (e-ph) scattering. In such materials, the Seebeck coefficient is…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 Vassilios Vargiamidis , Mischa Thesberg , Neophytos Neophytou

We estimate the thermoelectric response, namely, the Seebeck and Nernst coefficients of a hot and deconfined plasma of quarks and gluons, created post ultrarelativistic heavy ion collisions in the presence of a weak, homogeneous background…

Nuclear Theory · Physics 2021-10-29 Debarshi Dey , Binoy Krishna Patra

The longitudinal Seebeck coefficient of the charge-ordered layered crystals in a strong quantizing magnetic field normal to layers plane has been determined. The conditions whereby charge ordering parameter and chemical potential are…

Mesoscale and Nanoscale Physics · Physics 2013-05-09 P. V. Gorskyi

The Seebeck effect consists in the induction of a voltage drop due to the temperature difference in a conductor. In the middle of XIXth century, Lord Kelvin has proposed a relation between the Seebeck coefficient and the derivative of the…

Mesoscale and Nanoscale Physics · Physics 2024-05-20 A. V. Kavokin , S. V. Kavokina , A. A. Varlamov , Yuriy Yerin

Physical parameters characterising electrokinetic transport in a confined electrolyte solution are reconstructed from the generic transport coefficients obtained within the classical non-equilibrium statistical thermodynamic framework. The…

Soft Condensed Matter · Physics 2014-11-18 Hiroaki Yoshida , Hideyuki Mizuno , Tomoyuki Kinjo , Hitoshi Washizu , Jean-Louis Barrat

Nuclear recoil ionization yield constitutes a critical uncertainty source in low-energy detection for dark matter (DM) and coherent elastic neutrino-nucleus scattering (CE$\nu$NS) experiments. We present a novel methodology employing…

Instrumentation and Detectors · Physics 2026-03-18 Chang-Hao Fang

Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and principal thermodynamic properties of a model solution consisting of NaCl salt dissolved in methanol solvent. Four united atom force fields…

Soft Condensed Matter · Physics 2020-05-26 M. Cruz Sanchez , H. Dominguez , O. Pizio

The paper presents a mean field theory of electrolyte solutions, extending the classical Debye-H\"{u}ckel-Onsager theory to provide a detailed description of the electrical conductivity in strong electrolyte solutions. The theory…

Soft Condensed Matter · Physics 2024-09-27 N. N. Kalikin , Yu. A. Budkov

We report on the first measurement of the Seebeck coefficient in a tunnel-contacted and gate-tunable individual single-quantum dot junction in the Kondo regime, fabricated using the electromigration technique. This fundamental…

Mesoscale and Nanoscale Physics · Physics 2019-01-31 B. Dutta , D. Majidi , A. Garcia Corral , P. Erdman , S. Florens , T. Costi , H. Courtois , C. B. Winkelmann

Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and other properties of a model solution consisting of NaCl salt dissolved in water-methanol mixture. The SPC/E water model and the united atom…

Soft Condensed Matter · Physics 2018-06-27 M. Cruz Sanchez , J. Gujt , S. Sokolowski , O. Pizio

Ionic Seebeck effect of electrolytes has shown promising applications in harvesting energy from low-grade waste-heat sources with small temperature difference from the environment, which can power sensors and Internet-of-Things devices.…

Soft Condensed Matter · Physics 2022-02-03 Xin Qian , Te-Huan Liu , Ronggui Yang

Solid state lithium- and sodium-ion batteries utilize solid ionicly conducting compounds as electrolytes. However, the ionic conductivity of such materials tends to be lower than their liquid counterparts, necessitating research efforts…

Materials Science · Physics 2020-03-12 Yijie Xu , Yun Zong , Kedar Hippalgaonkar

Thermoelectric effects, measured by the Seebeck coefficients, refer to the phenomena in which a temperature difference or gradient imposed across a thermoelectric material induces an electrical potential difference or gradient, and vice…

Materials Science · Physics 2018-12-05 Yi Wang , Yong-Jie Hu , Shun-Li Shang , Bi-Cheng Zhou , Zi-Kui Liu , Long-Qing Chen

Computation of correlated ionic transport properties from molecular dynamics in the Green-Kubo formalism is expensive as one cannot rely on the affordable mean square displacement approach. We use spectral decomposition of the short-time…

Computational Physics · Physics 2021-07-14 Nicola Molinari , Yu Xie , Ian Leifer , Aris Marcolongo , Mordechai Kornbluth , Boris Kozinsky

The thermoelectric behaviour of quark-gluon plasma has been studied within the framework of an effective kinetic theory by adopting a quasiparticle model to incorporate the thermal medium effects. The thermoelectric response of the medium…

High Energy Physics - Phenomenology · Physics 2021-03-29 Manu Kurian