Journal ArticleDOI
Molecular dynamics study of the thermal conductivity of amorphous nanoporous silica
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TLDR
In this paper, non-equilibrium molecular dynamics simulations predicting the thermal conductivity of amorphous nanoporous silica were performed using the Muller-Plathe method and interatomic interactions were modeled using the widely used van Beest, Kramer and van Santen potential.About:
This article is published in International Journal of Heat and Mass Transfer.The article was published on 2011-10-01. It has received 66 citations till now. The article focuses on the topics: Nanoporous & Thermal conduction.read more
Citations
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Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
Advances of thermal conductivity models of nanoscale silica aerogel insulation material
Ya-Ling He,Tao Xie +1 more
TL;DR: In this article, the development of the effective thermal conductivity models for the nanoporous silica aerogel insulation material was summarized, and the procedure of establishing the effective heat transfer model of the aerogels insulation material from nanoscale to macroscale was introduced by taking their previous work as an illustration.
Journal ArticleDOI
Thermal Conductivity of Zeolitic Imidazolate Framework-8: A Molecular Simulation Study
Xiaoliang Zhang,Jianwen Jiang +1 more
TL;DR: In this article, the thermal conductivity of zeolitic imidazolate framework-8 (ZIF-8) was investigated and it was found that the longitudinal vibration contributes 60% to thermal transport.
Journal ArticleDOI
Review on nanoporous composite phase change materials: Fabrication, characterization, enhancement and molecular simulation
TL;DR: In this article, the state of the art of nanoporous solid-liquid phase change material (ssPCM) is reviewed from the aspects of fabrication, structural and thermal property characterization, and the solutions for thermal performance enhancement.
Journal ArticleDOI
Thermal conductivity of amorphous SiO 2 thin film: A molecular dynamics study
TL;DR: It was found that the thermal conductivity of a-SiO2 thin films is insensitive to the temperature from −55 °C to 150 °C, and in the range of the thickness in this work, the thermal Conductivity of the crystalline SiO2 (c-Si O2) thin films conforms to the T−α with the exponent range, and the thinner films are less sensitive to temperature.
References
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Journal ArticleDOI
Fast parallel algorithms for short-range molecular dynamics
TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.
Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Book
Computer Simulation of Liquids
Michael P. Allen,D. J. Tildesley +1 more
TL;DR: In this paper, the gear predictor -corrector is used to calculate forces and torques in a non-equilibrium molecular dynamics simulation using Monte Carlo methods. But it is not suitable for the gear prediction problem.
Journal ArticleDOI
Canonical dynamics: Equilibrium phase-space distributions
TL;DR: The dynamical steady-state probability density is found in an extended phase space with variables x, p/sub x/, V, epsilon-dot, and zeta, where the x are reduced distances and the two variables epsilus-dot andZeta act as thermodynamic friction coefficients.
Journal ArticleDOI
A unified formulation of the constant temperature molecular dynamics methods
TL;DR: In this article, the authors compared the canonical distribution in both momentum and coordinate space with three recently proposed constant temperature molecular dynamics methods by: (i) Nose (Mol. Phys., to be published); (ii) Hoover et al. [Phys. Rev. Lett. 77, 63 (1983); and (iii) Haile and Gupta [J. Chem. Phys. 79, 3067 (1983).