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Keywords: molecular dynamics method
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Journal Articles
Excitation of Single Phonon Modes in Nanoscale Waveguides
Available to Purchase
Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. April 2012, 134(4): 042403.
Published Online: February 14, 2012
... mode propagation in nanostructures of varying geometry. 01 12 2010 22 08 2011 14 02 2012 14 02 2012 elemental semiconductors Fourier analysis heat transfer molecular dynamics method phonon spectra silicon thermal conductivity waveguides molecular dynamics heat...
Journal Articles
Multiscale Simulations of Heat Transfer and Fluid Flow Problems
Available to Purchase
Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. March 2012, 134(3): 031018.
Published Online: January 19, 2012
... 2012 finite volume methods flow simulation heat transfer lattice Boltzmann methods molecular dynamics method Monte Carlo methods numerical approach multiscale simulation reconstruction operator FVM LBM DSMC MDS Multiscale simulation is a rapidly evolving area of research...
Journal Articles
Controlling Thermal Conductivity of Alloys via Atomic Ordering
Available to Purchase
Publisher: ASME
Article Type: Technical Briefs
J. Heat Mass Transfer. January 2012, 134(1): 014501.
Published Online: October 28, 2011
... alloy of fixed composition can be tuned across an order of magnitude at 10% of the melt temperature, and by a factor of three at 40% of the melt temperature. 23 11 2010 03 08 2011 28 10 2011 28 10 2011 molecular dynamics method order-disorder transformations phonons solid...
Journal Articles
Effect of Cutoff Radius on the Surface Tension of Nanoscale Bubbles
Available to Purchase
Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. October 2011, 133(10): 101501.
Published Online: August 11, 2011
... bubbles flow simulation Lennard-Jones potential molecular dynamics method surface tension two-phase flow homogeneous bubble nucleation molecular dynamics simulation surface tension cutoff radius Lennard–Jones fluid Dissipation of excess heat in modern electronic equipment...
Journal Articles
Computational Study of Thermal Rectification From Nanostructured Interfaces
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. September 2011, 133(9): 092401.
Published Online: July 7, 2011
... molecular dynamics interface conductance molecular dynamics method nanostructured materials phonons rectification thermal conductivity thin films 03 08 2009 01 04 2011 07 07 2011 07 07 2011 2011 American Society of Mechanical Engineers ...
Journal Articles
Surface Functionalization Mechanisms of Enhancing Heat Transfer at Solid-Liquid Interfaces
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. August 2011, 133(8): 082401.
Published Online: April 26, 2011
... of the thermal energy, leading to larger effective carbon dioxide emissions. surface functionalization vibrational matching interface resistance conductance heat transfer molecular dynamics solid-liquid heat transfer hydrophilicity interface phenomena molecular dynamics method silicon...
Journal Articles
On the Linear Temperature Dependence of Phonon Thermal Boundary Conductance in the Classical Limit
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Publisher: ASME
Article Type: Technical Briefs
J. Heat Mass Transfer. July 2011, 133(7): 074501.
Published Online: April 4, 2011
... germanium heat transfer interface phenomena molecular dynamics method phonons silicon thermal conductivity thermal boundary conductance phonon classical limit silicon germanium diffuse mismatch model molecular dynamics The phonon thermal boundary conductance between two solids...
Journal Articles
Molecular Dynamics Simulation of Phonon Scattering at Silicon/Germanium Interfaces
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. October 2010, 132(10): 102403.
Published Online: July 27, 2010
... thickness increases. germanium heat transfer molecular dynamics method silicon molecular dynamics phonon transport interface wave packet As heat flows across the interface between two different materials, a temperature drop is found at the interface, which may be represented...
Journal Articles
Hierarchical Modeling of Heat Transfer in Silicon-Based Electronic Devices
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. October 2010, 132(10): 102401.
Published Online: July 23, 2010
.... , 1992 , “ Lattice BGK for Navier-Stokes Equation ,” Europhys. Lett. 0295-5075 , 17 ( 6 ), pp. 479 – 484 . 10.1209/0295-5075/17/6/001 08 05 2008 13 04 2010 23 07 2010 23 07 2010 Boltzmann equation heat transfer microfluidics molecular dynamics method phonons...
Journal Articles
Effect of Selective Accommodation on Soot Aggregate Shielding in Time-Resolved Laser-Induced Incandescence Experiments
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. September 2010, 132(9): 091202.
Published Online: June 28, 2010
...-dimensional images of soot particles in scanning electron microscope (SEM) and transmission electron microscope (TEM) images. 02 07 2009 15 03 2010 28 06 2010 28 06 2010 aerosols aggregates (materials) combustion flow simulation molecular dynamics method Monte Carlo methods...
Journal Articles
Equilibrium Molecular Dynamics Study of Lattice Thermal Conductivity/Conductance of Au-SAM-Au Junctions
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. March 2010, 132(3): 032401.
Published Online: December 22, 2009
... molecular dynamics method monolayers organic compounds self-assembly thermal conductivity vibrations molecular dynamics thermal energy transport interface Molecular electronic devices have become more and more important nowadays, and among them, the self-assembly monolayer (SAM...
Journal Articles
Molecular-Scale Mechanism of Thermal Resistance at the Solid-Liquid Interfaces: Influence of Interaction Parameters Between Solid and Liquid Molecules
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. January 2010, 132(1): 012402.
Published Online: October 23, 2009
... “nanofluids.” thermal energy transfer thermal resistance solid-liquid interface crystal plane surface corrugation boundary layers liquid films microfluidics molecular dynamics method nanofluidics nanoparticles suspensions thermal resistance 09 06 2008 23 06 2009 23...
Journal Articles
Thermal Properties for Bulk Silicon Based on the Determination of Relaxation Times Using Molecular Dynamics
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. January 2010, 132(1): 012401.
Published Online: October 22, 2009
... of the Constant Temperature Molecular Dynamics Methods ,” J. Chem. Phys. 0021-9606 , 81 ( 1 ), pp. 511 – 519 . 10.1063/1.447334 Allen , M. P. , and Tildesley , D. J. , 1987 , Computer Simulation of Liquids , Clarendon , Oxford, UK . Pearson , E. M. , Halicioglu , T...
Journal Articles
Molecular Dynamics Based Analysis of Nucleation and Surface Energy of Droplets in Supersaturated Vapors of Methane and Ethane
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Publisher: ASME
Article Type: Micro/Nanoscale Heat Transfer—Part Ii
J. Heat Mass Transfer. April 2009, 131(4): 043202.
Published Online: February 11, 2009
... to agree reasonably well with the simulation results, whereas LFK leads to large deviations at high temperatures. 31 03 2008 05 08 2008 11 02 2009 condensation drops free energy molecular dynamics method nucleation organic compounds surface energy phase transition...
Journal Articles
Relativistic Molecular Dynamics Simulations of Laser Ablation Process on the Xenon Solid
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Publisher: ASME
Article Type: Micro/Nanoscale Heat Transfer—Part I
J. Heat Mass Transfer. March 2009, 131(3): 033112.
Published Online: January 27, 2009
... distribution of energy indirectly indicates the temperature evolution on the surface of the Xe solid under intense laser illumination. 11 03 2008 16 10 2008 27 01 2009 dissociation laser ablation Lennard-Jones potential molecular dynamics method xenon relativistic molecular...
Journal Articles
Heat Transfer Predictions for Micro-/Nanochannels at the Atomistic Level Using Combined Molecular Dynamics and Monte Carlo Techniques
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Publisher: ASME
Article Type: Micro/Nanoscale Heat Transfer—Part I
J. Heat Mass Transfer. March 2009, 131(3): 033104.
Published Online: January 21, 2009
... the heat flux predictions for a dense gas using MD and MC with Maxwell-like boundary conditions. 25 09 2007 15 09 2008 21 01 2009 aerodynamics heat transfer microchannel flow molecular dynamics method Monte Carlo methods molecular dynamics Monte Carlo simulations heat...
Journal Articles
Ab Initio Molecular Dynamics Study of Nanoscale Thermal Energy Transport
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. December 2008, 130(12): 122403.
Published Online: September 18, 2008
... density functional theory elemental semiconductors germanium Ge-Si alloys molecular dynamics method nanostructured materials silicon thermal conductivity ab initio molecular dynamics thermal energy transport nanoscale Moore’s law predicted that the number of transistors on a chip...
Journal Articles
The Solid-State Neck Growth Mechanisms in Low Energy Laser Sintering of Gold Nanoparticles: A Molecular Dynamics Simulation Study
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. September 2008, 130(9): 092404.
Published Online: July 11, 2008
... dynamics method nanoparticles necking nanoparticles sintering laser molecular dynamics simulation neck growth Recent interest in fabricating flexible electronics has spurred extensive research related to delivering and defining both active and passive materials in a cost effective...
Journal Articles
Atomistic Visualization of Anisotropic Wave Propagation in Crystals
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Publisher: ASME
Article Type: Research Papers
J. Heat Mass Transfer. August 2008, 130(8): 082402.
Published Online: May 30, 2008
... molecular dynamics method phonon-phonon interactions elastic waves phonon focusing heat transfer molecular dynamics The transfer of heat within nonmetallic solids primarily occurs by the propagation of elastic waves associated with the displacement of atoms from their lattice sites...
Journal Articles
Thermal Conductivity of Individual Single-Wall Carbon Nanotubes
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Publisher: ASME
Article Type: Technical Papers
J. Heat Mass Transfer. June 2007, 129(6): 705–716.
Published Online: September 15, 2006
... conductivity molecular dynamics simulation phonon single-wall carbon nanotube carbon nanotubes thermal conductivity molecular dynamics method phonon dispersion relations ballistic transport stress effects potential energy functions 21 12 2005 15 09 2006 2007 American Society...
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