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Explicit molecular dynamics simulations were applied to a pair of amorphous silica nanoparticles of diameter 3.2 nm immersed in a background electrolyte. Mean forces acting between the pair of silica nanoparticles were extracted at four…

Chemical Physics · Physics 2007-09-11 S. Jenkins , S. R. Kirk , M. Persson , J. Carlen , Z. Abbas

Nanofluids are suspensions of nanoparticles in a base heat-transfer liquid. They have been widely investigated to boost heat transfer since they were proposed in the 1990's. We present a statistical correlation analysis of experimentally…

Soft Condensed Matter · Physics 2021-11-11 J. Tielke , M. Maas , M. Castillo , K. Rezwan , M. Avila

In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…

Microparticles including paraffin are currently used for textiles coating in order to deaden thermal shocks. We will show that polymer nanoparticles embedded in those microsized capsules allow for decreasing the thermal conductivity of the…

Materials Science · Physics 2007-11-30 Po Chapuis , Sourabh Kumar Saha , S. Volz

Electrolyte theories enable to describe the structural and dynamical properties of simple electrolytes in solution, such as sodium chloride in water. Using these theories for aqueous solutions of charged nanoparticles is a straightforward…

Soft Condensed Matter · Physics 2020-02-03 Vincent Dahirel , Olivier Bernard , Marie Jardat

The addition of filler particles to polymer electrolytes is known to increment their ionic conductivity (IC). A detailed understanding of how the interactions between the constituent materials are responsible for the enhancement, remains to…

Materials Science · Physics 2021-03-19 Andres Villa , Juan Carlos Verduzco , Joseph A. Libera , Ernesto E. Marinero

The free standing solid polymer nanocomposite films has been prepared through standard solution cast technique. The improvement in structural, microstructural and electrochemical properties has been observed on the dispersion of nanofiller…

Materials Science · Physics 2018-07-16 Anil Arya , A. L. Sharma

Finding new ionic conductors that enable significant advancements in the development of energy-storage devices is a challenging goal of current material science. Aside of material classes as ionic liquids or amorphous ion conductors, the…

Materials Science · Physics 2015-09-02 K. Geirhos , P. Lunkenheimer , M. Michl , D. Reuter , A. Loidl

Explicit molecular dynamics simulations were applied to a pair of amorphous silica nanoparticles in aqueous solution, of diameter 4.4 nm with four different background electrolyte concentrations, to extract the mean force acting between the…

Chemical Physics · Physics 2009-11-13 S. Jenkins , S. R. Kirk , M. Persson , J. Carlen , Z. Abbas

Optically-levitated dielectric particles can serve as ultra-sensitive detectors of feeble forces and torques, as tools for use in quantum information science, and as a testbed for quantum coherence in macroscopic systems. Knowledge of the…

Correlated anion and cation motion can significantly reduce the overall ion conductivity in electrolytes versus the ideal conductivity calculated based on the diffusion constants alone. Using coarse-grained molecular dynamics simulations,…

Soft Condensed Matter · Physics 2020-06-01 Kuan-Hsuan Shen , Lisa M. Hall

To prevent the flocculation and phase separation of nanoparticles in solution, nanoparticles are often functionalized with short chain surfactants. Here we present fully-atomistic molecular dynamics simulations which characterize how these…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 J. Matthew D. Lane , Ahmed E. Ismail , Michael Chandross , Christian D. Lorenz , Gary S. Grest

The main objective of the present study is to investigate the effect of adding nanoparticles at different concentrations and sizes to boiling distilled water on the nucleate pool boiling heat transfer performance. The major studied…

Applied Physics · Physics 2021-10-06 M. Abdelrashied , H. Yousery , M. Roshdy , M. Metwally , M. Ali , H. Elsawy , R. Saqr

We revisit the theory of ion transport in parallel-plate channels and also discuss how the wettability of a solid and the mobility of adsorbed surface charges impact the transport of ions. It is shown that depending on the ratio of the…

Soft Condensed Matter · Physics 2021-09-29 Olga I. Vinogradova , Elena F. Silkina , Evgeny S. Asmolov

Lithium chloride LiCl is widely used as a prototype system to study the strongly dissociated 1-1 electrolyte solution. Here, we combined experimental measurements and classical molecular dynamics simulations to study the ion conduction in…

Soft Condensed Matter · Physics 2019-05-14 Are Yllö , Chao Zhang

Fundamental understanding of ionic transport at the nanoscale is essential for developing biosensors based on nanopore technology and new generation high-performance nanofiltration membranes for separation and purification applications. We…

The structure of the transient layer at the interface between air and the aqueous solution of silica nanoparticles with the size distribution of particles that has been determined from small-angle scattering has been studied by the X-ray…

The thermal transport properties of porous silicon and nano-hybrid "porous silicon/water" systems are presented here. The thermal conductivity was evaluated with equilibrium molecular dynamics technique for porous systems made of spherical…

Mesoscale and Nanoscale Physics · Physics 2020-12-03 Mykola Isaiev , Xiaorui Wang , Konstantinos Termentzidis , David Lacroix

Precise control over the flow behavior of liquids is a critical problem and is demanding for multifaceted applications. Introducing surface-engineered nanoparticles into the liquid can tune the flow behavior. However, the extent of…

Materials Science · Physics 2025-03-10 Prama Adhya , Sachin M. B. Gautham , Tarak K Patra , Manish Kaushal , Titash Mondal

Polymer electrolytes are critical for safe, high-energy-density solid-state batteries, yet discovering candidates that balance high ionic conductivity with high transference numbers remains a significant challenge. In this work, we develop…

Materials Science · Physics 2026-02-20 Antonia S. Kuhn , Jurğis Ruža , KyuJung Jun , Pablo Leon , Rafael Gómez-Bombarelli
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