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Proceedings Papers

Influence of Alcohol Additives on the Viscosity and Solubility of Ethanol/Diesel Fuel Blends: A Molecular Dynamics Simulation Study

Xueying Li, Lei Hou, Chong Chai, Sichen He
Proc. ASME. PVP2021, Volume 5: Operations, Applications, and Components; Seismic Engineering; Non-Destructive Examination, V005T07A019, July 13–15, 2021
Paper No: PVP2021-61884
DOI: https://doi.org/10.1115/PVP2021-61884
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Topics: Carbon, Diesel, Diffusion (Physics), Ethanol, Molecular dynamics simulation, Viscosity
Proceedings Papers

Characterization of Piezoelectric Material Properties Using Atomistic Simulations

Y. H. Park, I. Hijazi
Proc. ASME. PVP2019, Volume 2: Computer Technology and Bolted Joints, V002T02A029, July 14–19, 2019
Paper No: PVP2019-93814
DOI: https://doi.org/10.1115/PVP2019-93814
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Topics: Engineering simulation, Piezoelectric materials, Simulation, Sensors, Damage, Actuators, Piezoelectric actuators, Deformation, Degrees of freedom, Design
Proceedings Papers

Simple Pd-Ag-H EAM Potentials for Hydrogen Storage Applications

Robert Fuller, Iyad Hijazi
Proc. ASME. PVP2019, Volume 2: Computer Technology and Bolted Joints, V002T02A024, July 14–19, 2019
Paper No: PVP2019-93094
DOI: https://doi.org/10.1115/PVP2019-93094
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Topics: Hydrogen storage, Palladium, Hydrogen, Silver, Atoms, Fittings, Engineering simulation, Fuel cells, Mechanical properties, Molecular dynamics simulation
Proceedings Papers

Penetration of Hydrogen Into Alpha-Fe: A Molecular Dynamics Study

Xiongying Li, Tiancheng Cui, Yongzhi Zhao, Jinyang Zheng, Ping Xu
Proc. ASME. PVP2017, Volume 1B: Codes and Standards, V01BT01A047, July 16–20, 2017
Paper No: PVP2017-66220
DOI: https://doi.org/10.1115/PVP2017-66220
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Topics: Hydrogen, Molecular dynamics, Atoms, Alloys, Density, Hydrogen embrittlement, Molecular dynamics simulation, Potential energy, Simulation results
Proceedings Papers

Molecular Dynamics Simulation of Hydrogen-Activated Coalescence and Growth of Nano-Voids

Yao-Ting Zheng, Zaoxiao Zhang, Guang-xu Cheng, Fu-Zhen Xuan, Zhengdong Wang
Proc. ASME. PVP2017, Volume 1B: Codes and Standards, V01BT01A030, July 16–20, 2017
Paper No: PVP2017-65577
DOI: https://doi.org/10.1115/PVP2017-65577
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Topics: Hydrogen, Molecular dynamics simulation, Atoms, Bubbles, Diffusion (Physics), Energy conservation, High pressure (Physics), Hydrogen embrittlement, Metals, Stability
Proceedings Papers

Calculation of Material Properties Using Molecular Dynamics Simulation

Y. H. Park, J. Tang
Proc. ASME. PVP2007, Volume 2: Computer Applications/Technology and Bolted Joints, 337-340, July 22–26, 2007
Paper No: PVP2007-26122
DOI: https://doi.org/10.1115/PVP2007-26122
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Topics: Materials properties, Molecular dynamics simulation, Atoms, Bulk modulus, Copper, Melting point, Molecular dynamics methods, Surface energy
Proceedings Papers

Molecular Dynamics Simulation of the Effect of Large Angle and Small Angle Grain Boundaries on the Near-Threshold Fatigue Crack Growth in Iron

Shiro Kubo, Masaki Misaki
Proc. ASME. PVP2004, Elevated Temperature Design and Analysis, Nonlinear Analysis, and Plastic Components, 187-193, July 25–29, 2004
Paper No: PVP2004-2991
DOI: https://doi.org/10.1115/PVP2004-2991
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Topics: Fatigue cracks, Grain boundaries, Iron, Molecular dynamics simulation, Fracture (Materials), Cycles, Metals, Molecular dynamics, Molecular dynamics methods, Simulation
Proceedings Papers

Multi-Scale Simulation of Soft Material Flow

Mark Bankhead, Kevin Good, Scott L. Owens, Karl P. Travis
Proc. ASME. PVP2006-ICPVT-11, Volume 6: Materials and Fabrication, 581-590, July 23–27, 2006
Paper No: PVP2006-ICPVT-11-93173
DOI: https://doi.org/10.1115/PVP2006-ICPVT-11-93173
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Topics: Flow (Dynamics), Simulation, Containers, Multiscale modeling, Pipes, Bridges (Structures), Chemistry, Computational fluid dynamics, Fluids, Molecular dynamics simulation