scholarly journals Heterogeneous thermal conductance of nanoparticle-fluid interfaces: an atomistic nodal approach

2022 ◽  
Author(s):  
Mingxuan Jiang ◽  
Juan David Olarte-Plata ◽  
Fernando Bresme
Keyword(s):  
Thermal Conductance ◽  
Fluid Interfaces

scholarly journals Thermal transport across nanoparticle–fluid interfaces: the interplay of interfacial curvature and nanoparticle–fluid interactions

2017 ◽  
Vol 19 (4) ◽  
pp. 3244-3253 ◽  
Author(s):  
Anna Sofia Tascini ◽  
Jeff Armstrong ◽  
Eliodoro Chiavazzo ◽  
Matteo Fasano ◽  
Pietro Asinari ◽  
...  
Keyword(s):  
Thermal Transport ◽  
Interaction Strength ◽  
Thermal Conductance ◽  
Fluid Interfaces ◽  
Effective Equation ◽  
Fluid Interactions

A general and effective equation describes the thermal conductance of nanoparticles in terms of curvature and interaction strength.

scholarly journals Atomistic Nodal Approach: a General Molecular Dynamics Method For Computing Local Thermal Conductance at Atomistic Resolution

2021 ◽  
Author(s):  
Mingxuan Jiang ◽  
Juan D. Olarte-Plata ◽  
Fernando Bresme
Keyword(s):  
Molecular Dynamics ◽  
Thermal Transport ◽  
Temperature Drop ◽  
Thermal Conductance ◽  
Fundamental Property ◽  
Lower Surface ◽  
Fluid Interfaces ◽  
Coordination Numbers ◽  
Non Equilibrium Molecular Dynamics ◽  
Dynamics Simulations

The Interfacial Thermal Conductance (ITC) is a fundamental property of materials and has particular relevance at the nanoscale. The ITC quantifies the thermal resistance between materials of different compositions or between fluids in contact with materials. Furthermore, the ITC determines the rate of cooling/heating of the materials and the temperature drop across the interface. Here we propose a method to compute local ITCs and temperature drops of nanoparticle-fluid interfaces. Our approach resolves the ITC at the atomic level using the atomic coordinates of the nanomaterial as nodes to compute local thermal transport properties. We obtain high-resolution descriptions of the interfacial thermal transport by combining the atomistic nodal approach, computational geometry techniques and "computational farming'' using Non-Equilibrium Molecular Dynamics simulations. We illustrate our method by analyzing various nanoparticles as a function of their size and geometry, targeting experimentally relevant structures like capped octagonal rods, cuboctahedrons, decahedrons, rhombic dodecahedrons, cubes, icosahedrons, truncated octahedrons, octahedrons and spheres. We show that the ITC of these very different geometries can be accurately described in terms of the local coordination number of the atoms in the nanoparticle surface. Nanoparticle geometries with lower surface coordination numbers feature higher ITCs, and the ITC generally increases with decreasing particle size.

THERMAL CONDUCTANCE OF TWO-SIDED CNT INTERFACES MEASUERED BY A PHOTO ACOUSTIC TECHNIQUE

Equipment ◽  
2006 ◽  
Author(s):  
B. A. Cola ◽  
J. Xu ◽  
C. Cheng ◽  
Xianfan Xu ◽  
T. Fisher
Keyword(s):  
Thermal Conductance ◽  
Acoustic Technique

Thermoelectric properties of B12N12 molecule

2019 ◽  
Vol 16 ◽  
Author(s):  
Mohammad Reza Niazian ◽  
Laleh Farhang Matin ◽  
Mojtaba Yaghobi ◽  
Amir Ali Masoudi
Keyword(s):  
Molecular Electronics ◽  
Thermoelectric Properties ◽  
Electronic Devices ◽  
Thermal Conductance ◽  
Wide Band ◽  
Oscillatory Behavior ◽  
Mapping Technique ◽  
Junction Points ◽  
Inelastic Behaviour ◽  
New Generation

Background: Recently, molecular electronics have attracted the attention of many researchers, both theoretically and applied electronics.Nanostructures have significant thermal properties, which is why they are considered as good options for designing a new generation of integrated electronic devices. Objective: In this paper, the focus is on the thermoelectric properties of the molecular junction points with the electrodes. Also, the influence of the number of atom contacts was investigated on the thermoelectric properties of molecule located between two electrodes metallic.Therefore, the thermoelectric characteristics of the B12 N12 molecule are investigated. Methods: For this purpose, the Green’s function theory as well as mapping technique approach with the wide-band approximation and also the inelastic behaviour is considered for the electron-phonon interactions. Results & Conclusion: Results & Conclusion:It is observed that the largest values of the total part of conductance as well as its elastic (G(e,n)max) depends on the number of atom contacts and are arranged as: G(e,1)max>G(e,4)max>G(e,6)max. Furthermore, the largest values of the electronic thermal conductance, i.e. Kpmax is seen to be in the order of K(p,4)max < K(p,1)max < K(p,6)max that the number of main peaks increases in four-atom contacts at (E<Ef). Furthermore, it is represented that the thermal conductance shows an oscillatory behavior which is significantly affected by the number of atom contacts.

scholarly journals Surfactant Adsorption to Different Fluid Interfaces

Langmuir ◽  
2021 ◽  
Author(s):  
Jotam Bergfreund ◽  
Sarina Siegenthaler ◽  
Viviane Lutz-Bueno ◽  
Pascal Bertsch ◽  
Peter Fischer
Keyword(s):  
Fluid Interfaces ◽  
Surfactant Adsorption
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