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Proceedings Papers

Thermal Transport Study of KCl-UCl3 Using Molecular Dynamics Simulations

Simon Bratescu, Jungkyu Park
Proc. ASME. IMECE2023, Volume 7: Energy, V007T08A086, October 29–November 2, 2023
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2023-112656
https://doi.org/10.1115/IMECE2023-112656
View Paper titled, Thermal Transport Study of KCl-UCl3 Using Molecular Dynamics Simulations
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Topics: Algorithms, Density, Fuels, Heat flux, Molecular dynamics, Molecular dynamics simulation, Molten salt reactors, Phonons, Simulation, Temperature
Proceedings Papers

Evaluation of Fracture and Fatigue Properties of Graphene Oxide by Atomic Force Microscope and Molecular Dynamics Simulation

Shunsuke Sakuma, Yusuke Nakao, Tomoyasu Tanaka, Akio Yonezu
Proc. ASME. IMECE2023, Volume 4: Advanced Materials: Design, Processing, Characterization and Applications; Advances in Aerospace Technology, V004T04A058, October 29–November 2, 2023
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2023-113255
https://doi.org/10.1115/IMECE2023-113255
View Paper titled, Evaluation of Fracture and Fatigue Properties of Graphene Oxide by Atomic Force Microscope and Molecular Dynamics Simulation
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Topics: Atomic force microscopy, Fatigue properties, Fracture (Materials), Fracture (Process), Graphene, Molecular dynamics simulation
Proceedings Papers

Study on Molecular Dynamics Simulation With Boiling Water and Copper for Different Nanostructured Surfaces

Tanjee Afreen, Fisseha L. Gebre, JiaJun Xu
Proc. ASME. IMECE2023, Volume 10: Heat Transfer and Thermal Engineering, V010T11A020, October 29–November 2, 2023
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2023-116819
https://doi.org/10.1115/IMECE2023-116819
View Paper titled, Study on Molecular Dynamics Simulation With Boiling Water and Copper for Different Nanostructured Surfaces
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Topics: Boiling, Copper, Molecular dynamics simulation, Water, Bubbles, Engineering simulation, Flow (Dynamics), Heat, Liquid films, Microscale devices
Proceedings Papers

Characterizing High-Speed Impact Behavior of UHMWPE Through Molecular Dynamics Simulation

Guodong Guo, Shah Alam
Proc. ASME. IMECE2023, Volume 11: Mechanics of Solids, Structures and Fluids, V011T12A017, October 29–November 2, 2023
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2023-112860
https://doi.org/10.1115/IMECE2023-112860
View Paper titled, Characterizing High-Speed Impact Behavior of UHMWPE Through Molecular Dynamics Simulation
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Topics: Molecular dynamics simulation, Polymers, Potential energy, Computer simulation, Crystals, Diamonds, Energy dissipation, Mechanical properties, Molecular dynamics, Polyethylene fibers
Proceedings Papers

Bactericidal Effects of Micropillars: A Molecular Dynamics Study

Akash Singh, Yumeng Li
Proc. ASME. IMECE2022, Volume 3: Advanced Materials: Design, Processing, Characterization and Applications; Advances in Aerospace Technology, V003T03A001, October 30–November 3, 2022
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2022-95325
https://doi.org/10.1115/IMECE2022-95325
View Paper titled, Bactericidal Effects of Micropillars: A Molecular Dynamics Study
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Topics: Bacteria, Biomimetics, Molecular dynamics, Design, Molecular dynamics simulation, Wings, Dimensions, Engineering simulation, Modeling, Simulation
Proceedings Papers

Molecular Dynamics Simulation of the Effect of Hydrogen on the Interaction Between Dislocations in Alpha-Iron

Sunday Temitope Oyinbo, Tien-Chien Jen
Proc. ASME. IMECE2022, Volume 3: Advanced Materials: Design, Processing, Characterization and Applications; Advances in Aerospace Technology, V003T03A040, October 30–November 3, 2022
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2022-94722
https://doi.org/10.1115/IMECE2022-94722
View Paper titled, Molecular Dynamics Simulation of the Effect of Hydrogen on the Interaction Between Dislocations in Alpha-Iron
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Topics: Dislocations, Hydrogen, Iron, Mechanical admittance, Molecular dynamics, Molecular dynamics simulation
Proceedings Papers

Investigation of Mechanical Properties of Combinatorial Ti-Cu Film Using MD Simulation With Neural Network Potential

Takeru Miyagawa, Yugo Sakai, Akio Yonezu, Kazuki Mori, Nobuhiko Kato, Keiji Ishibashi
Proc. ASME. IMECE2022, Volume 3: Advanced Materials: Design, Processing, Characterization and Applications; Advances in Aerospace Technology, V003T03A019, October 30–November 3, 2022
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2022-94934
https://doi.org/10.1115/IMECE2022-94934
View Paper titled, Investigation of Mechanical Properties of Combinatorial Ti-Cu Film Using MD Simulation With Neural Network Potential
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Topics: Alloys, Artificial neural networks, Copper, Mechanical properties, Molecular dynamics simulation, Titanium
Proceedings Papers

A Molecular Dynamics Study on the Piezoelectric Properties of Bulk ZnS and Nanobelts

Iyad Hijazi, Rui Xie, Regis Houachissi
Proc. ASME. IMECE2022, Volume 3: Advanced Materials: Design, Processing, Characterization and Applications; Advances in Aerospace Technology, V003T03A052, October 30–November 3, 2022
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2022-95592
https://doi.org/10.1115/IMECE2022-95592
View Paper titled, A Molecular Dynamics Study on the Piezoelectric Properties of Bulk ZnS and Nanobelts
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Topics: Molecular dynamics, Shells, Simulation, Molecular dynamics simulation, Heat conduction, Polarization (Electricity), Polarization (Light), Polarization (Waves), Reliability, Simulation results
Proceedings Papers

Machine Learning Potentials for Graphene

Akash Singh, Yumeng Li
Proc. ASME. IMECE2022, Volume 3: Advanced Materials: Design, Processing, Characterization and Applications; Advances in Aerospace Technology, V003T03A036, October 30–November 3, 2022
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2022-95341
https://doi.org/10.1115/IMECE2022-95341
View Paper titled, Machine Learning Potentials for Graphene
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Topics: Artificial neural networks, Density functional theory, Graphene, Machine learning, Molecular dynamics simulation
Proceedings Papers

Multi-Scale Molecular Dynamics Simulation of Fused Silica Under Shock Impact: Parameter Characterizations

Tanuj Gupta, Tristan Woods, Huijuan Zhao
Proc. ASME. IMECE2022, Volume 9: Mechanics of Solids, Structures, and Fluids; Micro- and Nano-Systems Engineering and Packaging; Safety Engineering, Risk, and Reliability Analysis; Research Posters, V009T12A035, October 30–November 3, 2022
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2022-96062
https://doi.org/10.1115/IMECE2022-96062
View Paper titled, Multi-Scale Molecular Dynamics Simulation of Fused Silica Under Shock Impact: Parameter Characterizations
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Topics: Molecular dynamics simulation, Phase transitions, Shock (Mechanics)
Proceedings Papers

Genetic Algorithm Simulation for Deposited Structure of Atoms

Koji Miyazaki, Kunio Hijikata, Takayoshi Inoue
Proc. ASME. IMECE97, Microelectromechanical Systems (MEMS), 199-204, November 16–21, 1997
Publisher: American Society of Mechanical Engineers
Paper No: IMECE1997-0958
https://doi.org/10.1115/IMECE1997-0958
View Paper titled, Genetic Algorithm Simulation for Deposited Structure of Atoms
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Topics: Atoms, Genetic algorithms, Simulation, Molecular dynamics simulation, Potential energy, Temperature, Temperature effects, Thin films
Proceedings Papers

Molecular Dynamics Simulation of Ice Crystal Growth From a Surface Containing Adsorbed Antifreeze Protein

Svein Grandum, Yasunori Kobayashi, Akira Yabe, Sohei Matsumoto, Fumio Takemura, Kazuya Nakagomi, Per-Erling Frivik
Proc. ASME. IMECE97, Microelectromechanical Systems (MEMS), 191-197, November 16–21, 1997
Publisher: American Society of Mechanical Engineers
Paper No: IMECE1997-0957
https://doi.org/10.1115/IMECE1997-0957
View Paper titled, Molecular Dynamics Simulation of Ice Crystal Growth From a Surface Containing Adsorbed Antifreeze Protein
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Topics: Crystal growth, Ice, Molecular dynamics simulation, Proteins, Crystal lattices, Hydrogen bonds, Low temperature, Recrystallization, Scanning tunneling microscopy, Slurries
Proceedings Papers

Study of Nucleation of Diamond on Silicon Substrate by Ab-Initio Molecular Dynamics

Tomoo Kayaba, Akinori Inoue, Masumi Saka, Hiroyuki Abé
Proc. ASME. IMECE98, Thermo-Mechanical Characterization of Evolving Packaging Materials and Structures, 83-85, November 15–20, 1998
Publisher: American Society of Mechanical Engineers
Paper No: IMECE1998-0432
https://doi.org/10.1115/IMECE1998-0432
View Paper titled, Study of Nucleation of Diamond on Silicon Substrate by Ab-Initio Molecular Dynamics
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Topics: Diamonds, Molecular dynamics, Nucleation (Physics), Silicon, Atoms, Carbon, Chemical vapor deposition, Diamond films, Simulation, Aluminum
Proceedings Papers

Molecular Dynamics Simulation of Thermal Conductivity in Bulk Silicon and Nanowires

Sebastian G. Volz, Gang Chen
Proc. ASME. IMECE98, Heat Transfer: Volume 4 — Heat Transfer in Materials Processing, 199-208, November 15–20, 1998
Publisher: American Society of Mechanical Engineers
Paper No: IMECE1998-0706
https://doi.org/10.1115/IMECE1998-0706
View Paper titled, Molecular Dynamics Simulation of Thermal Conductivity in Bulk Silicon and Nanowires
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Topics: Molecular dynamics simulation, Nanowires, Silicon, Thermal conductivity, Phonons, Crystals, Electromagnetic scattering, Radiation scattering, Scattering (Physics), Approximation
Proceedings Papers

Potentials for PdAgCu Metal Hydrides Energy Simulations

Iyad Hijazi, Chaonan Zhang, Robert Fuller
Proc. ASME. IMECE2021, Volume 3: Advanced Materials: Design, Processing, Characterization, and Applications, V003T03A059, November 1–5, 2021
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2021-71494
https://doi.org/10.1115/IMECE2021-71494
View Paper titled, Potentials for PdAgCu Metal Hydrides Energy Simulations
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Topics: Engineering simulation, Hydrogen, Metals, Simulation, Alloys, Mechanical properties, Palladium, Permeability, Sulfur, Absorption
Proceedings Papers

Molecular Dynamics Simulation of Thermal Conductivity of Uranium Mononitride

Ayouba Moussa Hassane, Wang Qingyu, Mohammed Ado, Doctor Enivweru
Proc. ASME. IMECE2021, Volume 2A: Advanced Manufacturing, V02AT02A060, November 1–5, 2021
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2021-68913
https://doi.org/10.1115/IMECE2021-68913
View Paper titled, Molecular Dynamics Simulation of Thermal Conductivity of Uranium Mononitride
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Topics: Molecular dynamics simulation, Nuclear fuels, Thermal conductivity, Uranium
Proceedings Papers

High Strain Rate Impact on Carbon Nanostructures Using Molecular Dynamics Simulations

Matheus Prates, Ian Durr, Jungkyu Park, Giovanny Espitia, Braden Peterson
Proc. ASME. IMECE2021, Volume 12: Mechanics of Solids, Structures, and Fluids; Micro- and Nano- Systems Engineering and Packaging, V012T12A016, November 1–5, 2021
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2021-70515
https://doi.org/10.1115/IMECE2021-70515
View Paper titled, High Strain Rate Impact on Carbon Nanostructures Using Molecular Dynamics Simulations
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Topics: Carbon, Fracture (Materials), Fracture (Process), Graphene, Molecular dynamics simulation, Nanostructures , Particulate matter, Silver, Damage, Defense industry
Proceedings Papers

Fracture Behavior of Alumina/Epoxy Resin Interface and Effect of Water Molecules by Using Molecular Dynamics Using Reaction Force Field (ReaxFF)

Hiroki Nishino, Kohei Kanamori, Yoshikatsu Kimoto, Kazuma Okada, Akio Yonezu
Proc. ASME. IMECE2021, Volume 12: Mechanics of Solids, Structures, and Fluids; Micro- and Nano- Systems Engineering and Packaging, V012T12A015, November 1–5, 2021
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2021-69109
https://doi.org/10.1115/IMECE2021-69109
View Paper titled, Fracture Behavior of Alumina/Epoxy Resin Interface and Effect of Water Molecules by Using Molecular Dynamics Using Reaction Force Field (ReaxFF)
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Topics: Adhesion, Bonding, Epoxy resins, Fracture (Materials), Fracture (Process), Molecular dynamics, Water, Adhesives, Metal bonding, Metal surfaces
Proceedings Papers

Tritium Absorption on Carbon Nanostructures

Bryce Atchley, Erica Wu, Jungkyu Park, Eduardo Farfan
Proc. ASME. IMECE2021, Volume 8B: Energy, V08BT08A015, November 1–5, 2021
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2021-70538
https://doi.org/10.1115/IMECE2021-70538
View Paper titled, Tritium Absorption on Carbon Nanostructures
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Topics: Absorption, Carbon, Graphene, Nanostructures , Temperature, Reflection, Atoms, Molecular dynamics, Molecular dynamics simulation, Nanomaterials
Proceedings Papers

Thermal Transport in Carbon Nanocomposites Under Mechanical Strain

Jungkyu Park, Nick Kinports, Jihad Kudsy
Proc. ASME. IMECE2021, Volume 11: Heat Transfer and Thermal Engineering, V011T11A087, November 1–5, 2021
Publisher: American Society of Mechanical Engineers
Paper No: IMECE2021-70556
https://doi.org/10.1115/IMECE2021-70556
View Paper titled, Thermal Transport in Carbon Nanocomposites Under Mechanical Strain
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Topics: Carbon, Carbon nanotubes, Nanocomposites, Thermal conductivity, Composite materials, Polymer chains, Polymer composites, Deformation, Electromagnetic scattering, Flexible electronics