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Proceedings Papers

Defect-Induced Thermal Rectification: Numerical Study on Carbon Nanotube and FPU-Beta Lattice

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Hiroyuki Hayashi, Koji Takahashi
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30043, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44071
https://doi.org/10.1115/AJTEC2011-44071
View Paper titled, Defect-Induced Thermal Rectification: Numerical Study on Carbon Nanotube and FPU-Beta Lattice
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Topics: Carbon nanotubes, Thermal rectification, Phonons, Density, Molecular dynamics simulation, Nanotubes, Single-walled carbon nanotubes, Thermal properties
Proceedings Papers

Molecular Dynamics Simulation of Homogeneous and Heterogeneous Thermal Bubble Nucleation

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Min Chen, Yunfei Chen, Juekuan Yang, Yandong Gao, Deyu Li
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T10230, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44324
https://doi.org/10.1115/AJTEC2011-44324
View Paper titled, Molecular Dynamics Simulation of Homogeneous and Heterogeneous Thermal Bubble Nucleation
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Topics: Bubbles, Molecular dynamics, Molecular dynamics simulation, Nucleation (Physics)
Proceedings Papers

Multicanonical Molecular Dynamics Simulation Study of the Liquid-Solid and Solid-Solid Transitions in Lennard-Jones Clusters

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Toshihiro Kaneko, Kenji Yasuoka, Ayori Mitsutake, Xiao Cheng Zeng
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30089, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44457
https://doi.org/10.1115/AJTEC2011-44457
View Paper titled, Multicanonical Molecular Dynamics Simulation Study of the Liquid-Solid and Solid-Solid Transitions in Lennard-Jones Clusters
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Topics: Molecular dynamics simulation, Phase transition temperature, Heat capacity, Temperature
Proceedings Papers

Molecular Analysis on the Dynamic Properties of Water Droplet at Solid-Liquid Interface Based on MD Simulations

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Yasutaka Yamaguchi, Donatas Surblys, Satoshi Nakaoka, Koji Kuroda, Tadashi Nakajima, Hideo Fujimura
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30090, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44474
https://doi.org/10.1115/AJTEC2011-44474
View Paper titled, Molecular Analysis on the Dynamic Properties of Water Droplet at Solid-Liquid Interface Based on MD Simulations
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Topics: Drops, Molecular dynamics simulation, Water, Electric charge, Coulombs, Diffusion (Physics), Equilibrium (Physics), Ethanol
Proceedings Papers

Molecular Dynamics Simulation of Vapor Bubble Nucleation in 2D Lennard-Jones Fluid Along Nanometer-Sized Cavities

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Joseph Johnston, R. Panneer Selvam
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30049, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44188
https://doi.org/10.1115/AJTEC2011-44188
View Paper titled, Molecular Dynamics Simulation of Vapor Bubble Nucleation in 2D Lennard-Jones Fluid Along Nanometer-Sized Cavities
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Topics: Bubbles, Cavities, Fluids, Molecular dynamics simulation, Nucleation (Physics), Vapors, Wall temperature, Equations of state, Equilibrium (Physics), Potential energy
Proceedings Papers

Thermal Conductivity of Sol-Gel Amorphous Mesoporous Silica Thin Films: Molecular Dynamics Simulations Versus Experiments

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Thomas Coquil, Laurent Pilon
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30001, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44046
https://doi.org/10.1115/AJTEC2011-44046
View Paper titled, Thermal Conductivity of Sol-Gel Amorphous Mesoporous Silica Thin Films: Molecular Dynamics Simulations Versus Experiments
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Topics: Molecular dynamics simulation, Sol-gel processing, Thermal conductivity, Thin films, Simulation, Porosity, Approximation, Atoms, Equilibrium (Physics), Heat flux
Proceedings Papers

Thermal Conductivity of Cage-Like Structures

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Mona Zebarjadi, Keivan Esfarjani, Gang Chen
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T10039, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44276
https://doi.org/10.1115/AJTEC2011-44276
View Paper titled, Thermal Conductivity of Cage-Like Structures
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Topics: Thermal conductivity, Fillers (Materials), Atoms, Displacement, Equilibrium (Physics), Molecular dynamics simulation
Proceedings Papers

Molecular Dynamics Simulation of Quasi-Two-Dimensional Water Network on Ice Nucleation Protein

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Daisuke Murakami, Kenji Yasuoka
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30100, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44609
https://doi.org/10.1115/AJTEC2011-44609
View Paper titled, Molecular Dynamics Simulation of Quasi-Two-Dimensional Water Network on Ice Nucleation Protein
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Topics: Ice, Molecular dynamics simulation, Nucleation (Physics), Proteins, Water, Density, Percolation theory, Hydrogen bonds, Hydrophilicity, Phase transitions
Proceedings Papers

Cutoff Radius Effect of Water Configuration Using the Wolf Method

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Kazuaki Takahashi, Tetsu Narumi, Kenji Yasuoka
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30098, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44602
https://doi.org/10.1115/AJTEC2011-44602
View Paper titled, Cutoff Radius Effect of Water Configuration Using the Wolf Method
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Topics: Water, Diffusion (Physics), Dipoles (Electromagnetism), Molecular dynamics simulation, Potential energy, Shapes, Switches
Proceedings Papers

Thermal Properties of Yttrium Aluminum Garnett From Molecular Dynamics Simulations

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Majid S. al-Dosari, D. G. Walker
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T10046, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44343
https://doi.org/10.1115/AJTEC2011-44343
View Paper titled, Thermal Properties of Yttrium Aluminum Garnett From Molecular Dynamics Simulations
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Topics: Aluminum, Molecular dynamics simulation, Thermal properties, Yttrium, Engineering simulation, Simulation, Thermal conductivity, Atoms, Specific heat, Thermal expansion
Proceedings Papers

Role of Chemical Ordering on Phononic Transport in Binary Alloys

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John C. Duda, Timothy S. English, William A. Soffa, Donald A. Jordan, Pamela M. Norris
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30009, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44160
https://doi.org/10.1115/AJTEC2011-44160
View Paper titled, Role of Chemical Ordering on Phononic Transport in Binary Alloys
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Topics: Alloys, Equilibrium (Physics), Molecular dynamics simulation, Phonons, Solid solutions, Temperature, Thermal conductivity
Proceedings Papers

Molecular Dynamics Simulations and Kaptiza Conductance Prediction of Si/Au Systems Using the New Full 2NN MEAM Si/Au Cross-Potential

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Carolina Abs da Cruz, Patrice Chantrenne, Xavier Kleber
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30027, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44447
https://doi.org/10.1115/AJTEC2011-44447
View Paper titled, Molecular Dynamics Simulations and Kaptiza Conductance Prediction of Si/Au Systems Using the New Full 2NN MEAM Si/Au Cross-Potential
Open the PDF for Molecular Dynamics Simulations and Kaptiza Conductance Prediction of Si/Au Systems Using the New Full 2NN MEAM Si/Au Cross-Potential in another window
Topics: Electrical conductance, Molecular dynamics simulation, Approximation, Atoms, Density, Equilibrium (Physics), Heat transfer, Metals, Superlattices, Temperature
Proceedings Papers

Thermal Conductivity of Carbon Nanotubes With Defects

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Haibin Chen, Alan J. H. McGaughey
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30075, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44173
https://doi.org/10.1115/AJTEC2011-44173
View Paper titled, Thermal Conductivity of Carbon Nanotubes With Defects
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Topics: Carbon nanotubes, Thermal conductivity, Molecular dynamics simulation, Thermal management
Proceedings Papers

First-Principles-Based Interatomic Potential for SI and Its Thermal Conductivity

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Keivan Esfarjani, Gang Chen, Asegun Henry
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30083, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44339
https://doi.org/10.1115/AJTEC2011-44339
View Paper titled, First-Principles-Based Interatomic Potential for SI and Its Thermal Conductivity
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Topics: Thermal conductivity, Equilibrium (Physics), Molecular dynamics simulation, Phonons, Thermal properties, Approximation, Computation, Construction, Databases, Density functional theory
Proceedings Papers

Interfacial Thermal Resistance Between a Carbon Nanoparticle and Molten Salt Eutectic: Effect of Material Properties, Particle Shapes and Sizes

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Byeongnam Jo, Debjyoti Banerjee
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30084, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44373
https://doi.org/10.1115/AJTEC2011-44373
View Paper titled, Interfacial Thermal Resistance Between a Carbon Nanoparticle and Molten Salt Eutectic: Effect of Material Properties, Particle Shapes and Sizes
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Topics: Carbon, Interfacial thermal resistance, Materials properties, Nanoparticles, Particulate matter, Shapes, Graphite, Particle size, Simulation, Single-walled nanotubes
Proceedings Papers

Molecular Dynamics Simulation of Three-Dimensional Heterogeneous Nucleation

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Donguk Suh, Kenji Yasuoka
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30085, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44407
https://doi.org/10.1115/AJTEC2011-44407
View Paper titled, Molecular Dynamics Simulation of Three-Dimensional Heterogeneous Nucleation
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Topics: Molecular dynamics simulation, Nucleation (Physics), Dimensions, Molecular dynamics, Nanoparticles
Proceedings Papers

Initial Stage of Nucleate Boiling at Atomic Scale

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Mitsuhiro Matsumoto, Takahiro Yamamoto
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30057, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44435
https://doi.org/10.1115/AJTEC2011-44435
View Paper titled, Initial Stage of Nucleate Boiling at Atomic Scale
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Topics: Nucleate boiling, Heating, Bubbles, Cavitation, Heat flux, Kinetic energy, Latent heat, Molecular dynamics simulation, Nucleation (Physics), Oscillations
Proceedings Papers

Effect of Alkyl Chain Length on Molecular Heat Transfer Characteristics in Lipid Bilayers

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Takeo Nakano, Gota Kikugawa, Taku Ohara
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30058, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44465
https://doi.org/10.1115/AJTEC2011-44465
View Paper titled, Effect of Alkyl Chain Length on Molecular Heat Transfer Characteristics in Lipid Bilayers
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Topics: Chain, Heat transfer, Lipid bilayers, Membranes, Atoms, Thermal conductivity, Thermal resistance, Heat, Molecular dynamics simulation, Water
Proceedings Papers

A Molecular Dynamics Study on Heat Transfer Characteristics Over the Interface of Self-Assembled Monolayer and Water Solvent

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Gota Kikugawa, Taku Ohara, Toru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30059, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44478
https://doi.org/10.1115/AJTEC2011-44478
View Paper titled, A Molecular Dynamics Study on Heat Transfer Characteristics Over the Interface of Self-Assembled Monolayer and Water Solvent
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Topics: Heat transfer, Molecular dynamics, Self-assembly, Water, Thermal energy, Electrical conductance, Molecular dynamics simulation
Proceedings Papers

Thermal Rectification in Graphene and Carbon Nanotube Systems Using Molecular Dynamics Simulations

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Ajit K. Vallabhaneni, Jiuning Hu, Yong P. Chen, Xiulin Ruan
Proc. ASME. AJTEC2011, ASME/JSME 2011 8th Thermal Engineering Joint Conference, T30060, March 13–17, 2011
Publisher: American Society of Mechanical Engineers
Paper No: AJTEC2011-44521
https://doi.org/10.1115/AJTEC2011-44521
View Paper titled, Thermal Rectification in Graphene and Carbon Nanotube Systems Using Molecular Dynamics Simulations
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Topics: Carbon nanotubes, Graphene, Molecular dynamics simulation, Thermal rectification, Temperature, Heat, Silicon, Engineering simulation, Flow (Dynamics), Molecular dynamics