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Proceedings Papers

Comparison of Surface Tension Models in Smoothed Particles Hydrodynamics Method

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Lijing Yang, Milad Rakhsha, Dan Negrut
Proc. ASME. IDETC-CIE2019, Volume 6: 15th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, V006T09A028, August 18–21, 2019
Publisher: American Society of Mechanical Engineers
Paper No: DETC2019-98124
https://doi.org/10.1115/DETC2019-98124
View Paper titled, Comparison of Surface Tension Models in Smoothed Particles Hydrodynamics Method
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Topics: Hydrodynamics, Particulate matter, Surface tension, Deformation, Drops, Energy dissipation, Fluids, Kinetic energy, Molecular dynamics, Numerical analysis
Proceedings Papers

Molecular Dynamics Simulations on the Tensile Deformation and Failure of a Polyethylene/Copper Interface

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Lijuan Liao, Changyu Meng, Chenguang Huang
Proc. ASME. IDETC-CIE2018, Volume 4: 23rd Design for Manufacturing and the Life Cycle Conference; 12th International Conference on Micro- and Nanosystems, V004T08A017, August 26–29, 2018
Publisher: American Society of Mechanical Engineers
Paper No: DETC2018-85504
https://doi.org/10.1115/DETC2018-85504
View Paper titled, Molecular Dynamics Simulations on the Tensile Deformation and Failure of a Polyethylene/Copper Interface
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Topics: Copper, Failure, Molecular dynamics simulation, Tensile deformation, Failure mechanisms, Damage, Yield strength, Atoms, Bonding, Chain
Proceedings Papers

Molecular Dynamics Simulation With Interval-Valued Interatomic Potentials

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Anh Tran, Yan Wang
Proc. ASME. IDETC-CIE2016, Volume 1A: 36th Computers and Information in Engineering Conference, V01AT02A022, August 21–24, 2016
Publisher: American Society of Mechanical Engineers
Paper No: DETC2016-59431
https://doi.org/10.1115/DETC2016-59431
View Paper titled, Molecular Dynamics Simulation With Interval-Valued Interatomic Potentials
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Topics: Molecular dynamics simulation, Uncertainty, Uncertainty quantification, Molecular dynamics, Simulation, Pressure, Reliability, Temperature
Proceedings Papers

Estimating Constitutive Law of a Filament From its Deformed Shapes Using Input Reconstruction

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Roshan Chavan, Harish Palanthandalam-Madapusi, Sachin Goyal
Proc. ASME. IDETC-CIE2015, Volume 8: 27th Conference on Mechanical Vibration and Noise, V008T13A087, August 2–5, 2015
Publisher: American Society of Mechanical Engineers
Paper No: DETC2015-46791
https://doi.org/10.1115/DETC2015-46791
View Paper titled, Estimating Constitutive Law of a Filament From its Deformed Shapes Using Input Reconstruction
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Topics: Constitutive equations, Shapes, DNA, Deformation, Dynamics (Mechanics), Filters, Molecular dynamics, Molecular dynamics simulation, State estimation
Proceedings Papers

Molecular Dynamics Study of Nano-Tribological Properties of Silicon Nitride Films

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Longqiu Li, Shufeng Wang, Andrey Ovcharenko, Wuyi Wang
Proc. ASME. IDETC-CIE2014, Volume 4: 19th Design for Manufacturing and the Life Cycle Conference; 8th International Conference on Micro- and Nanosystems, V004T09A025, August 17–20, 2014
Publisher: American Society of Mechanical Engineers
Paper No: DETC2014-34857
https://doi.org/10.1115/DETC2014-34857
View Paper titled, Molecular Dynamics Study of Nano-Tribological Properties of Silicon Nitride Films
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Topics: Molecular dynamics, Silicon nitride ceramics, Tribology, Friction, Corrosion, Diamonds, Disks, Durability, Protective coatings, Silicon
Proceedings Papers

Smooth Robust Subspace Based Model Reduction

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David Chelidze
Proc. ASME. IDETC-CIE2013, Volume 7B: 9th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, V07BT10A044, August 4–7, 2013
Publisher: American Society of Mechanical Engineers
Paper No: DETC2013-13333
https://doi.org/10.1115/DETC2013-13333
View Paper titled, Smooth Robust Subspace Based Model Reduction
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Topics: Approximation, Complex systems, Computational fluid dynamics, Computer simulation, Dynamics (Mechanics), Finite element analysis, Model development, Molecular dynamics, Robustness
Proceedings Papers

An Improved Free Energy Formulation and Implementation for Kinetostatic Protein Folding Simulation

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Pouya Tavousi, Morad Behandish, Kazem Kazerounian, Horea T. Ilieş
Proc. ASME. IDETC-CIE2013, Volume 6A: 37th Mechanisms and Robotics Conference, V06AT07A006, August 4–7, 2013
Publisher: American Society of Mechanical Engineers
Paper No: DETC2013-12671
https://doi.org/10.1115/DETC2013-12671
View Paper titled, An Improved Free Energy Formulation and Implementation for Kinetostatic Protein Folding Simulation
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Topics: Proteins, Simulation, Atoms, Algorithms, Biology, Molecular dynamics, Vacuum, Van der Waals forces
Proceedings Papers

Reliable Kinetic Monte Carlo Simulation Based on Random Set Sampling

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Yan Wang
Proc. ASME. IDETC-CIE2011, Volume 5: 37th Design Automation Conference, Parts A and B, 1189-1199, August 28–31, 2011
Publisher: American Society of Mechanical Engineers
Paper No: DETC2011-48575
https://doi.org/10.1115/DETC2011-48575
View Paper titled, Reliable Kinetic Monte Carlo Simulation Based on Random Set Sampling
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Topics: Simulation, Algorithms, Chemical reactions, Differential equations, Molecular dynamics, Phase transitions, Robustness
Proceedings Papers

Adjoint Design Sensitivity Analysis of Fracture Mechanics Using Molecular-Continuum Multiscale Approach

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Hyun-Seok Kim, Hong-Lae Jang, Min-Geun Kim, Seonho Cho
Proc. ASME. IDETC-CIE2011, Volume 5: 37th Design Automation Conference, Parts A and B, 111-115, August 28–31, 2011
Publisher: American Society of Mechanical Engineers
Paper No: DETC2011-47700
https://doi.org/10.1115/DETC2011-47700
View Paper titled, Adjoint Design Sensitivity Analysis of Fracture Mechanics Using Molecular-Continuum Multiscale Approach
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Topics: Design sensitivity analysis, Fracture mechanics, Dynamics (Mechanics), Equations of motion, Finite element analysis, Molecular dynamics, Sensitivity analysis, Transients (Dynamics)
Proceedings Papers

Precise Assembly of Metallic Nanoclusters as Building Blocks of Nanostructures: A Molecular Dynamics Study

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S. H. Mahboobi, A. Meghdari, N. Jalili, F. Amiri
Proc. ASME. IDETC-CIE2010, Volume 4: 12th International Conference on Advanced Vehicle and Tire Technologies; 4th International Conference on Micro- and Nanosystems, 819-826, August 15–18, 2010
Publisher: American Society of Mechanical Engineers
Paper No: DETC2010-28777
https://doi.org/10.1115/DETC2010-28777
View Paper titled, Precise Assembly of Metallic Nanoclusters as Building Blocks of Nanostructures: A Molecular Dynamics Study
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Topics: Blocks (Building materials), Manufacturing, Molecular dynamics, Nanostructures , Molecular dynamics simulation, Nanoscale phenomena, Particulate matter, Simulation
Proceedings Papers

Inverse Molecular Dynamics Modeling Performance on GPU Architectures for a Problem of Fracture

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Athanasios P. Iliopoulos, John G. Michopoulos, Samuel G. Lambrakos, Noam Bernstein
Proc. ASME. IDETC-CIE2010, Volume 3: 30th Computers and Information in Engineering Conference, Parts A and B, 767-775, August 15–18, 2010
Publisher: American Society of Mechanical Engineers
Paper No: DETC2010-28736
https://doi.org/10.1115/DETC2010-28736
View Paper titled, Inverse Molecular Dynamics Modeling Performance on GPU Architectures for a Problem of Fracture
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Topics: Architecture, Fracture (Materials), Fracture (Process), Graphics processing units, Modeling, Molecular dynamics, Inverse problems, Atoms, Design, Dynamics (Mechanics)
Proceedings Papers

Calculation of Isothermal Intrinsic Compressibility and Compression of GvpA Protein in Halobacterium sp. NRC-1 Using Molecular Modeling and Dynamics

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Hussein M. EzzEldin, Santiago D. Solares
Proc. ASME. IDETC-CIE2009, Volume 6: ASME Power Transmission and Gearing Conference; 3rd International Conference on Micro- and Nanosystems; 11th International Conference on Advanced Vehicle and Tire Technologies, 389-395, August 30–September 2, 2009
Publisher: American Society of Mechanical Engineers
Paper No: DETC2009-86265
https://doi.org/10.1115/DETC2009-86265
View Paper titled, Calculation of Isothermal Intrinsic Compressibility and Compression of GvpA Protein in Halobacterium sp. NRC-1 Using Molecular Modeling and Dynamics
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Topics: Compressibility, Compression, Dynamics (Mechanics), Modeling, Proteins, Pressure, Membranes, Simulation, Temperature, Buoyancy
Proceedings Papers

Simulations of Surface Defects Characterization Using Force Modulation Atomic Force Microscopy

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Hossein Nejat Pishkenari, Ali Meghdari
Proc. ASME. IDETC-CIE2009, Volume 6: ASME Power Transmission and Gearing Conference; 3rd International Conference on Micro- and Nanosystems; 11th International Conference on Advanced Vehicle and Tire Technologies, 681-687, August 30–September 2, 2009
Publisher: American Society of Mechanical Engineers
Paper No: DETC2009-86188
https://doi.org/10.1115/DETC2009-86188
View Paper titled, Simulations of Surface Defects Characterization Using Force Modulation Atomic Force Microscopy
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Topics: Atomic force microscopy, Simulation, Cantilevers, Probes, Atoms, Excitation, Imaging, Molecular dynamics, Q-factor, Stiffness
Proceedings Papers

On Converting Any One-Step Method to a Variational Integrator of the Same Order

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George W. Patrick, Charles Cuell, Raymond J. Spiteri, William Zhang
Proc. ASME. IDETC-CIE2009, Volume 4: 7th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, Parts A, B and C, 341-349, August 30–September 2, 2009
Publisher: American Society of Mechanical Engineers
Paper No: DETC2009-87061
https://doi.org/10.1115/DETC2009-87061
View Paper titled, On Converting Any One-Step Method to a Variational Integrator of the Same Order
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Topics: Algorithms, Molecular dynamics
Proceedings Papers

An Estimation Method of a Constitutive-Law for the Rod Model of DNA Using Discrete-Structure Simulations

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Adam R. Hinkle, Sachin Goyal, Harish J. Palanthandalam-Madapusi
Proc. ASME. IDETC-CIE2009, Volume 4: 7th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, Parts A, B and C, 1487-1493, August 30–September 2, 2009
Publisher: American Society of Mechanical Engineers
Paper No: DETC2009-87763
https://doi.org/10.1115/DETC2009-87763
View Paper titled, An Estimation Method of a Constitutive-Law for the Rod Model of DNA Using Discrete-Structure Simulations
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Topics: Constitutive equations, DNA, Engineering simulation, Simulation, Deformation, Cantilevers, Atoms, Modeling, Molecular dynamics, Simulation results
Proceedings Papers

On Adaptivity in Coarse Grain Molecular Dynamics

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Kishor D. Bhalerao, Kurt S. Anderson, Alain Laederach
Proc. ASME. IDETC-CIE2009, Volume 4: 7th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, Parts A, B and C, 1495-1498, August 30–September 2, 2009
Publisher: American Society of Mechanical Engineers
Paper No: DETC2009-87827
https://doi.org/10.1115/DETC2009-87827
View Paper titled, On Adaptivity in Coarse Grain Molecular Dynamics
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Topics: Molecular dynamics, Simulation, Chain, Kinematics, RNA
Proceedings Papers

Molecular Dynamics Study of Success Evaluation for Metallic Nanoparticles Manipulation on Gold Substrate

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Seyed Hanif Mahboobi, Ali Meghdari, Nader Jalili
Proc. ASME. IDETC-CIE2009, Volume 6: ASME Power Transmission and Gearing Conference; 3rd International Conference on Micro- and Nanosystems; 11th International Conference on Advanced Vehicle and Tire Technologies, 345-346, August 30–September 2, 2009
Publisher: American Society of Mechanical Engineers
Paper No: DETC2009-86398
https://doi.org/10.1115/DETC2009-86398
View Paper titled, Molecular Dynamics Study of Success Evaluation for Metallic Nanoparticles Manipulation on Gold Substrate
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Topics: Molecular dynamics, Nanoparticles, Simulation, Transition metals
Proceedings Papers

Molecular Dynamics Analysis of Formation and Friction on Pattern Replication in Direct Nanoimprint

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Cheng-Kuo Sung, Chih-Wei Hsieh
Proc. ASME. IDETC-CIE2008, Volume 4: 20th International Conference on Design Theory and Methodology; Second International Conference on Micro- and Nanosystems, 695-700, August 3–6, 2008
Publisher: American Society of Mechanical Engineers
Paper No: DETC2008-49766
https://doi.org/10.1115/DETC2008-49766
View Paper titled, Molecular Dynamics Analysis of Formation and Friction on Pattern Replication in Direct Nanoimprint
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Topics: Friction, Molecular dynamics, Nanostructures , Silicon, Aluminum, Cavities, Engineering simulation, Film thickness, Manufacturing, Nickel
Proceedings Papers

Computational Steering of Interactive Material Flow Simulations

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Stefan Lietsch, Christoph Laroque, Henning Zabel
Proc. ASME. IDETC-CIE2008, Volume 3: 28th Computers and Information in Engineering Conference, Parts A and B, 1493-1502, August 3–6, 2008
Publisher: American Society of Mechanical Engineers
Paper No: DETC2008-49405
https://doi.org/10.1115/DETC2008-49405
View Paper titled, Computational Steering of Interactive Material Flow Simulations
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Topics: Flow simulation, Simulation, Visualization, Computational fluid dynamics, Molecular dynamics
Proceedings Papers

Predictive Carbon Nanotube Models Using the Eigenvector Dimension Reduction (EDR) Method

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Zhimin Xi, Byeng D. Youn
Proc. ASME. IDETC-CIE2007, Volume 6: 33rd Design Automation Conference, Parts A and B, 787-797, September 4–7, 2007
Publisher: American Society of Mechanical Engineers
Paper No: DETC2007-35608
https://doi.org/10.1115/DETC2007-35608
View Paper titled, Predictive Carbon Nanotube Models Using the Eigenvector Dimension Reduction (EDR) Method
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Topics: Carbon nanotubes, Dimensions, Eigenvalues, Mechanical properties, Molecular dynamics