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Proceedings Papers

Bactericidal Effects of Micropillars: A Molecular Dynamics Study

Proc. ASME. IMECE2022, Volume 3: Advanced Materials: Design, Processing, Characterization and Applications; Advances in Aerospace Technology, V003T03A001, October 30–November 3, 2022

Paper No: IMECE2022-95325

DOI: https://doi.org/10.1115/IMECE2022-95325

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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

Paper No: IMECE2022-94722

DOI: https://doi.org/10.1115/IMECE2022-94722

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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

Paper No: IMECE2022-94934

DOI: https://doi.org/10.1115/IMECE2022-94934

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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

Paper No: IMECE2022-95592

DOI: https://doi.org/10.1115/IMECE2022-95592

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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

Paper No: IMECE2022-95341

DOI: https://doi.org/10.1115/IMECE2022-95341

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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

Paper No: IMECE2022-96062

DOI: https://doi.org/10.1115/IMECE2022-96062

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Topics: Molecular dynamics simulation, Phase transitions, Shock (Mechanics)

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

Paper No: IMECE1997-0957

DOI: https://doi.org/10.1115/IMECE1997-0957

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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

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

Paper No: IMECE1997-0958

DOI: https://doi.org/10.1115/IMECE1997-0958

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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 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

Paper No: IMECE1998-0706

DOI: https://doi.org/10.1115/IMECE1998-0706

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Topics: Molecular dynamics simulation, Nanowires, Silicon, Thermal conductivity, Phonons, Crystals, Electromagnetic scattering, Radiation scattering, Scattering (Physics), Approximation

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

Paper No: IMECE1998-0432

DOI: https://doi.org/10.1115/IMECE1998-0432

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Topics: Diamonds, Molecular dynamics, Nucleation (Physics), Silicon, Atoms, Carbon, Chemical vapor deposition, Diamond films, Simulation, Aluminum

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

Paper No: IMECE2021-71494

DOI: https://doi.org/10.1115/IMECE2021-71494

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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

Paper No: IMECE2021-68913

DOI: https://doi.org/10.1115/IMECE2021-68913

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Topics: Molecular dynamics simulation, Nuclear fuels, Thermal conductivity, Uranium

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

Paper No: IMECE2021-70556

DOI: https://doi.org/10.1115/IMECE2021-70556

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Topics: Carbon, Carbon nanotubes, Nanocomposites, Thermal conductivity, Composite materials, Polymer chains, Polymer composites, Deformation, Electromagnetic scattering, Flexible electronics

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

Paper No: IMECE2021-70515

DOI: https://doi.org/10.1115/IMECE2021-70515

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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

Paper No: IMECE2021-69109

DOI: https://doi.org/10.1115/IMECE2021-69109

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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

Paper No: IMECE2021-70538

DOI: https://doi.org/10.1115/IMECE2021-70538

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Topics: Absorption, Carbon, Graphene, Nanostructures , Temperature, Reflection, Atoms, Molecular dynamics, Molecular dynamics simulation, Nanomaterials

Proceedings Papers

Protein Conformational Changes Under Applied Forces

Yangqing Xu, Gang Bao

Proc. ASME. IMECE99, Advances in Bioengineering, 123-124, November 14–19, 1999

Paper No: IMECE1999-0408

DOI: https://doi.org/10.1115/IMECE1999-0408

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Topics: Proteins, Signals, Stress, Assaying, Compression, Deformation, Gravity (Force), Molecular dynamics simulation, Pressure, Shear (Mechanics)

Proceedings Papers

Molecular Dynamics Simulation and Measurement of Contact Angle of Water Droplet on a Platinum Surface

Satish G. Kandlikar, Shigeo Maruyama, Mark E. Steinke, Tatsuto Kimura

Proc. ASME. IMECE2001, Heat Transfer: Volume 1 — Fundamentals of Heat Transfer, 343-348, November 11–16, 2001

Paper No: IMECE2001/HTD-24137

DOI: https://doi.org/10.1115/IMECE2001/HTD-24137

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Topics: Drops, Molecular dynamics simulation, Platinum, Water, Containers, Equilibrium (Physics), Heat, Molecular dynamics methods, Phantoms, Statistical process control

Proceedings Papers

Molecular Dynamics Simulation of Interfacial Tension of Ultra-Thin Liquid Films on a Solid Surface

Shashank Sinha, Jonathan B. Freund, Vijay K. Dhir

Proc. ASME. IMECE2001, Heat Transfer: Volume 3 — Fluid-Physics and Heat Transfer for Macro- and Micro-Scale Gas-Liquid and Phase-Change Flows, 79-85, November 11–16, 2001

Paper No: IMECE2001/HTD-24203

DOI: https://doi.org/10.1115/IMECE2001/HTD-24203

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Topics: Liquid films, Molecular dynamics simulation, Surface tension, Vapors, Atoms, Temperature, Boiling, Condensation, Density, Diluents

Proceedings Papers

Molecular Dynamics Simulation of Hydrogen Storage in Single-Walled Carbon Nanotubes

Shigeo Maruyama, Tatsuto Kimura

Proc. ASME. IMECE2000, Heat Transfer: Volume 2, 405-409, November 5–10, 2000

Paper No: IMECE2000-1454

DOI: https://doi.org/10.1115/IMECE2000-1454

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Topics: Hydrogen storage, Molecular dynamics simulation, Single-walled carbon nanotubes, Single-walled nanotubes, Hydrogen, Carbon, Center of mass, Absorption, Atoms, Simulation

2 3 4 5

NARROW

Bactericidal Effects of Micropillars: A Molecular Dynamics Study

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

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

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

Machine Learning Potentials for Graphene

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

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

Genetic Algorithm Simulation for Deposited Structure of Atoms

Molecular Dynamics Simulation of Thermal Conductivity in Bulk Silicon and Nanowires

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

Potentials for PdAgCu Metal Hydrides Energy Simulations

Molecular Dynamics Simulation of Thermal Conductivity of Uranium Mononitride

Thermal Transport in Carbon Nanocomposites Under Mechanical Strain

High Strain Rate Impact on Carbon Nanostructures Using Molecular Dynamics Simulations

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

Tritium Absorption on Carbon Nanostructures

Protein Conformational Changes Under Applied Forces

Molecular Dynamics Simulation and Measurement of Contact Angle of Water Droplet on a Platinum Surface

Molecular Dynamics Simulation of Interfacial Tension of Ultra-Thin Liquid Films on a Solid Surface

Molecular Dynamics Simulation of Hydrogen Storage in Single-Walled Carbon Nanotubes

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