scholarly journals Thermal conductivity of strained silicon: Molecular dynamics insight and kinetic theory approach

2019 ◽  
Vol 126 (5) ◽  
pp. 055109 ◽  
Author(s):  
Vasyl Kuryliuk ◽  
Oleksii Nepochatyi ◽  
Patrice Chantrenne ◽  
David Lacroix ◽  
Mykola Isaiev
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Kinetic Theory ◽  
Strained Silicon ◽  
Theory Approach

Numerical Methods for the Kinetic Theory of Fluids

2018 ◽  
Author(s):  
Sauro Succi
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Numerical Methods ◽  
Kinetic Theory ◽  
Computational Efficiency ◽  
Lattice Boltzmann ◽  
Direct Simulation Monte Carlo ◽  
Particle Methods ◽  
Direct Simulation ◽  
Simulation Monte Carlo

This chapter provides a bird’s eye view of the main numerical particle methods used in the kinetic theory of fluids, the main purpose being of locating Lattice Boltzmann in the broader context of computational kinetic theory. The leading numerical methods for dense and rarified fluids are Molecular Dynamics (MD) and Direct Simulation Monte Carlo (DSMC), respectively. These methods date of the mid 50s and 60s, respectively, and, ever since, they have undergone a series of impressive developments and refinements which have turned them in major tools of investigation, discovery and design. However, they are both very demanding on computational grounds, which motivates a ceaseless demand for new and improved variants aimed at enhancing their computational efficiency without losing physical fidelity and vice versa, enhance their physical fidelity without compromising computational viability.

Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics

2021 ◽  
Vol 129 (15) ◽  
pp. 155105
Author(s):  
Fernan Saiz ◽  
Yenal Karaaslan ◽  
Riccardo Rurali ◽  
Cem Sevik
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Interatomic Potential

Study of lattice thermal conductivity of tungsten containing bubbles by molecular dynamics simulation

2020 ◽  
Vol 161 ◽  
pp. 112004
Author(s):  
Hongyu Zhang ◽  
Jizhong Sun ◽  
Yingmin Wang ◽  
Thomas Stirner ◽  
Ali Y. Hamid ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Lattice Thermal Conductivity ◽  
Dynamics Simulation
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