scholarly journals Relationship of thermal boundary conductance to structure from an analytical model plus molecular dynamics simulations

2013 ◽  
Vol 87 (9) ◽  
Author(s):  
Xiao Wang Zhou ◽  
Reese E. Jones ◽  
Christopher James Kimmer ◽  
John C. Duda ◽  
Patrick E. Hopkins
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Analytical Model ◽  
Thermal Boundary Conductance ◽  
Dynamics Simulations ◽  
Relationship Of

Thermal boundary conductance between Al films and GaN nanowires investigated with molecular dynamics

2014 ◽  
Vol 16 (20) ◽  
pp. 9403-9410 ◽  
Author(s):  
Xiao-wang Zhou ◽  
Reese E. Jones ◽  
Patrick E. Hopkins ◽  
Thomas E. Beechem
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Thermal Transport ◽  
Thermal Boundary Conductance ◽  
Gan Nanowires ◽  
System P ◽  
Dynamics Simulations ◽  
Important System

Using molecular dynamics simulations, we studied the thermal boundary conductance between GaN nanowires and Al films and showed how it may be possible to enhance interfacial thermal transport in this important system.

On the Relationship of the Relative Intensity I3 and a Cavity Number as Obtained from Computer Simulations

2012 ◽  
Vol 733 ◽  
pp. 183-189 ◽  
Author(s):  
Dušan Račko
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Free Volume ◽  
Computer Simulations ◽  
Relative Intensity ◽  
Complex Behavior ◽  
Volume Analysis ◽  
Dynamics Simulations ◽  
Relationship Of ◽  
The Relationship

In this contribution a generalized picture of the cavity number behavior is obtained by means of molecular dynamics simulations and consequent free volume analysis. The cavity number obtained for free volume cavities defined by different probe radii shows a complex behavior with the temperature. The number of cavities determined by small probes drops with the temperature. The number of cavities determined by large probes increases. This complex behavior of the cavity number can be discussed with the distinct behavior of the relative intensity, as observed in the experiment, and a support for the most basic of assumptions, that the cavity number relates to the relative intensity, is given.

On the Linear Temperature Dependence of Phonon Thermal Boundary Conductance in the Classical Limit

2011 ◽  
Vol 133 (7) ◽  
Author(s):  
John C. Duda ◽  
Pamela M. Norris ◽  
Patrick E. Hopkins
Keyword(s):  
Molecular Dynamics ◽  
Temperature Dependence ◽  
Molecular Dynamics Simulations ◽  
Classical Limit ◽  
Phonon Transport ◽  
Linear Temperature Dependence ◽  
Linear Temperature ◽  
Thermal Boundary Conductance ◽  
Dynamics Simulations ◽  
Good Agreement

We present a new model for predicting thermal boundary conductance in the classical limit. This model takes a different form than those of the traditionally used mismatch theories in the fact that the temperature dependence of thermal boundary conductance is driven by the phononic scattering mechanisms of the materials comprising the interface as opposed to the heat capacities of those materials. The model developed in this work assumes that a phonon on one side of an interface may not scatter at the interface itself but instead scatter with phonons in the adjacent material via the scattering processes intrinsic in the adjacent material. We find that this model is in good agreement with classical molecular dynamics simulations of phonon transport across a Si/Ge interface.

Insight into the Structure – Elastic properties relationship of calcium silicate glasses: multi-length scale approach

2021 ◽  
Author(s):  
Mohamed Naji ◽  
Othman El Kssiri ◽  
Sandra Ory ◽  
Aurélien Canizares ◽  
Mohammed Filali ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Light Scattering ◽  
Molecular Dynamics Simulations ◽  
Elastic Properties ◽  
Calcium Silicate ◽  
Silicate Glasses ◽  
Length Scale ◽  
Dynamics Simulations ◽  
Relationship Of ◽  
Insight Into

Based on a combination of molecular dynamics simulations, Raman and Brillouin light scattering spectroscopies, we investigate the structure and elastic properties relationship in an archetypical calcium silicate glass system. From...

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