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Proceedings Papers

SDF-Based Inverse Process Design of Solar Cells Using Molecular Dynamics Simulations

Umar Farooq Ghumman, Anton van Beek, Joydeep Munshi, TeYu Chien, Ganesh Balasubramanian, Wei Chen

Proc. ASME. IDETC-CIE2021, Volume 3B: 47th Design Automation Conference (DAC), V03BT03A005, August 17–19, 2021

Paper No: DETC2021-71595

DOI: https://doi.org/10.1115/DETC2021-71595

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Topics: Design, Molecular dynamics simulation, Optimization, Process design, Solar cells, Spectral energy distribution, Annealing, Energy conversion, Metals, Photovoltaic cells

Proceedings Papers

Investigation of the Dynamic Behavior of Railway Ballast Using Molecular Dynamics Simulations

Holger Kruse, Karl Popp

Proc. ASME. IDETC-CIE2001, Volume 6B: 18th Biennial Conference on Mechanical Vibration and Noise, 1713-1721, September 9–12, 2001

Paper No: DETC2001/VIB-21502

DOI: https://doi.org/10.1115/DETC2001/VIB-21502

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Topics: Molecular dynamics simulation, Railroads, Particulate matter, Granular materials, Molecular dynamics methods, Shapes, Stiffness

Proceedings Papers

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

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

Paper No: DETC2018-85504

DOI: https://doi.org/10.1115/DETC2018-85504

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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

Anh Tran, Yan Wang

Proc. ASME. IDETC-CIE2016, Volume 1A: 36th Computers and Information in Engineering Conference, V01AT02A022, August 21–24, 2016

Paper No: DETC2016-59431

DOI: https://doi.org/10.1115/DETC2016-59431

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Topics: Molecular dynamics simulation, Uncertainty, Uncertainty quantification, Molecular dynamics, Simulation, Pressure, Reliability, Temperature

Proceedings Papers

Towards Adjoint-Based Inversion of the Lamé Parameter Field for Slender Structures With Cantilever Loading

Soheil Fatehiboroujeni, Noemi Petra, Sachin Goyal

Proc. ASME. IDETC-CIE2016, Volume 8: 28th Conference on Mechanical Vibration and Noise, V008T10A031, August 21–24, 2016

Paper No: DETC2016-60130

DOI: https://doi.org/10.1115/DETC2016-60130

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Topics: Cantilevers, Constitutive equations, Errors, Inverse problems, Optimization, Displacement, Engineering simulation, Gradient methods, Molecular dynamics simulation, Nanoscale phenomena

Proceedings Papers

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

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

Paper No: DETC2015-46791

DOI: https://doi.org/10.1115/DETC2015-46791

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Topics: Constitutive equations, Shapes, DNA, Deformation, Dynamics (Mechanics), Filters, Molecular dynamics, Molecular dynamics simulation, State estimation

Proceedings Papers

A Method for Identification of the Constitutive Law of Biological Filaments From Their Dynamic Equilibria

Soheil Fatehiboroujeni, Sachin Goyal, Apostol Gramada

Proc. ASME. IDETC-CIE2015, Volume 6: 11th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, V006T10A003, August 2–5, 2015

Paper No: DETC2015-46776

DOI: https://doi.org/10.1115/DETC2015-46776

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Topics: Constitutive equations, Deformation, DNA, Equilibrium (Physics), Fibers, Molecular dynamics simulation, Shapes, Torsion

Proceedings Papers

Multiscale Model Validation Based on Generalized Interval Bayes’ Rule and its Application in Molecular Dynamics Simulation

Aaron E. Tallman, Joel D. Blumer, Yan Wang, David L. McDowell

Proc. ASME. IDETC-CIE2014, Volume 1A: 34th Computers and Information in Engineering Conference, V01AT02A042, August 17–20, 2014

Paper No: DETC2014-35126

DOI: https://doi.org/10.1115/DETC2014-35126

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Topics: Model validation, Molecular dynamics simulation, Uncertainty, Chaos, Irradiation (Radiation exposure), Materials science, Probability, Simulation

Proceedings Papers

A Recursive Body-Body Formulation for Reducing the Computational Cost of Pairwise Coulomb Force Computation for Modeling and Simulation of Biopolymers, Using a Multibody Approach to Model Reduction

Jeremy Laflin, Kurt Anderson

Proc. ASME. IDETC-CIE2013, Volume 7A: 9th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, V07AT10A010, August 4–7, 2013

Paper No: DETC2013-13339

DOI: https://doi.org/10.1115/DETC2013-13339

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Topics: Biopolymers, Computation, Coulombs, Modeling, Simulation, Tensors, Manufacturing, Inertia (Mechanics), Approximation, Molecular dynamics simulation

Proceedings Papers

Prediction of Load and Shear of Ultra-Thin Multi-Species Surface Films

W. W. F. Chong, M. Teodorescu, H. Rahnejat

Proc. ASME. IDETC-CIE2012, Volume 5: 6th International Conference on Micro- and Nanosystems; 17th Design for Manufacturing and the Life Cycle Conference, 241-246, August 12–15, 2012

Paper No: DETC2012-71317

DOI: https://doi.org/10.1115/DETC2012-71317

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Topics: Shear (Mechanics), Stress, Thin films, Adhesion, Friction, Intermolecular forces, Microscale devices, Contact mechanics, Fluids, Liquid films

Proceedings Papers

A Robotics Approach to Enhance Conformational Sampling of Proteins

Juan Cortés, Ibrahim Al-Bluwi

Proc. ASME. IDETC-CIE2012, Volume 4: 36th Mechanisms and Robotics Conference, Parts A and B, 1177-1186, August 12–15, 2012

Paper No: DETC2012-70105

DOI: https://doi.org/10.1115/DETC2012-70105

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Topics: Proteins, Robotics, Computational methods, Biology, Biomacromolecules, Biotechnology, Dynamics (Mechanics), Molecular dynamics simulation, Monte Carlo methods

Proceedings Papers

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

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

Paper No: DETC2010-28777

DOI: https://doi.org/10.1115/DETC2010-28777

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Topics: Blocks (Building materials), Manufacturing, Molecular dynamics, Nanostructures , Molecular dynamics simulation, Nanoscale phenomena, Particulate matter, Simulation

Proceedings Papers

Contact Dynamics With Onset of Plasticity in Probing Nanoscale Thin Solid Films by AFM and Nanoindentation

Xiaoling He

Proc. ASME. IDETC-CIE2009, Volume 1: 22nd Biennial Conference on Mechanical Vibration and Noise, Parts A and B, 409-412, August 30–September 2, 2009

Paper No: DETC2009-87646

DOI: https://doi.org/10.1115/DETC2009-87646

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Topics: Atomic force microscopy, Contact dynamics, Nanoindentation, Nanoscale phenomena, Plasticity, Thin films, Adhesion, Deformation, Dynamics (Mechanics), Stick-slip

Proceedings Papers

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

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

Paper No: DETC2009-86265

DOI: https://doi.org/10.1115/DETC2009-86265

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Topics: Compressibility, Compression, Dynamics (Mechanics), Modeling, Proteins, Pressure, Membranes, Simulation, Temperature, Buoyancy

Proceedings Papers

An Investigation on New Numerical Methods for Molecular Dynamics Simulation

Nick Schafer, Radu Serban, Dan Negrut

Proc. ASME. IDETC-CIE2007, Volume 5: 6th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, Parts A, B, and C, 1467-1471, September 4–7, 2007

Paper No: DETC2007-35519

DOI: https://doi.org/10.1115/DETC2007-35519

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Topics: Molecular dynamics, Molecular dynamics simulation, Numerical analysis, Simulation, Classical mechanics, Complex systems, Dimensions, Doors, Equations of motion

Proceedings Papers

Multibody Molecular Dynamics I: Theoretical Development

Rudranarayan M. Mukherjee, Kurt S. Anderson

Proc. ASME. IDETC-CIE2007, Volume 5: 6th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, Parts A, B, and C, 1473-1482, September 4–7, 2007

Paper No: DETC2007-35560

DOI: https://doi.org/10.1115/DETC2007-35560

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Topics: Algorithms, Boundary-value problems, Engineering simulation, Molecular dynamics, Molecular dynamics simulation, Multibody dynamics, Multiscale modeling, Polymers, Resolution (Optics), Simulation

Proceedings Papers

Multibody Molecular Dynamics II: Applications and Results

Rudranarayan M. Mukherjee, Paul Crozier, Kurt S. Anderson

Proc. ASME. IDETC-CIE2007, Volume 5: 6th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, Parts A, B, and C, 1483-1493, September 4–7, 2007

Paper No: DETC2007-35561

DOI: https://doi.org/10.1115/DETC2007-35561

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Topics: Molecular dynamics, Engineering simulation, Multibody dynamics, Simulation, Algorithms, Bulk solids, Chain, Computer software, Conformational analysis, Degrees of freedom

Proceedings Papers

Multigranular Molecular Dynamics Simulations of Polymer Melts Using Multibody Algorithms

Rudranarayan M. Mukherjee, Kurt S. Anderson, John Ziegler

Proc. ASME. IDETC-CIE2005, Volume 6: 5th International Conference on Multibody Systems, Nonlinear Dynamics, and Control, Parts A, B, and C, 2111-2120, September 24–28, 2005

Paper No: DETC2005-85480

DOI: https://doi.org/10.1115/DETC2005-85480

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Topics: Algorithms, Molecular dynamics simulation, Polymer melts, Modeling, Boundary-value problems, Computer software, Dynamics (Mechanics), Equations of motion, Lennard-Jones potential, Molecular dynamics

Proceedings Papers

Molecular Dynamics Simulations of Carbon Nanotube-Based Oscillators

Shaoping Xiao, David R. Andersen, Wenyi Hou

Proc. ASME. IDETC-CIE2005, Volume 1: 20th Biennial Conference on Mechanical Vibration and Noise, Parts A, B, and C, 473-478, September 24–28, 2005

Paper No: DETC2005-84747

DOI: https://doi.org/10.1115/DETC2005-84747

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Topics: Carbon, Molecular dynamics simulation, Nanotubes, Nanoelectromechanical systems, Electrodes, Friction, Coating processes, Coatings, Electromagnetic force, Molecular dynamics

NARROW

SDF-Based Inverse Process Design of Solar Cells Using Molecular Dynamics Simulations

Investigation of the Dynamic Behavior of Railway Ballast Using Molecular Dynamics Simulations

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

Molecular Dynamics Simulation With Interval-Valued Interatomic Potentials

Towards Adjoint-Based Inversion of the Lamé Parameter Field for Slender Structures With Cantilever Loading

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

A Method for Identification of the Constitutive Law of Biological Filaments From Their Dynamic Equilibria

Multiscale Model Validation Based on Generalized Interval Bayes’ Rule and its Application in Molecular Dynamics Simulation

A Recursive Body-Body Formulation for Reducing the Computational Cost of Pairwise Coulomb Force Computation for Modeling and Simulation of Biopolymers, Using a Multibody Approach to Model Reduction

Prediction of Load and Shear of Ultra-Thin Multi-Species Surface Films

A Robotics Approach to Enhance Conformational Sampling of Proteins

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

Contact Dynamics With Onset of Plasticity in Probing Nanoscale Thin Solid Films by AFM and Nanoindentation

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

An Investigation on New Numerical Methods for Molecular Dynamics Simulation

Multibody Molecular Dynamics I: Theoretical Development

Multibody Molecular Dynamics II: Applications and Results

Multigranular Molecular Dynamics Simulations of Polymer Melts Using Multibody Algorithms

Molecular Dynamics Simulations of Carbon Nanotube-Based Oscillators

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