'Md simulation' diaporamas de présentation

Dr. John A Patten, Western Michigan University, Manufacturing Engineering

Ductile Regime Nano-Machining : Comparison of Numerical and Experimental Results during Scratching of Silicon and Silicon Carbide. Dr. John A Patten, Western Michigan University, Manufacturing Engineering. AGENDA. Introduction Research Background

587 views • 43 slides

Computational Studies of Silicon Nanostructure Surfaces R. Q. Zhang City University of Hong Kong

503 views • 37 slides

M olecular Mechanics and docking Lecture 22 Introduction to Bioinformatics 2007

440 views • 36 slides

Nanobubbles in a Lennard-Jones Fluid

Nanobubbles in a Lennard-Jones Fluid. D . I . Zhukhovitskii Institute for High Energy Densities JIHT. Introduction 1. Kinetics of the first-order transitions is based on statistics of nanoobjects (embryos of a new phase).

723 views • 31 slides

Molecular Dynamics Simulation

Applied Statistical Mechanics Lecture Note - 13. Molecular Dynamics Simulation. ????? ??????? ???. Contents. Basic Molecular Dynamics Simulation Method Properties Calculations in MD MD in Other Ensembles. Basic MD Simulation - MC vs. MD. MC Probabilistic simulation technique

801 views • 28 slides

Running flexible, robust and scalable grid application: Hybrid QM/MD Simulation

Running flexible, robust and scalable grid application: Hybrid QM/MD Simulation. Hiroshi Takemiya, Yusuke Tanimura and Yoshio Tanaka Grid Technology Research Center National Institute of Advanced Industrial Science and Technology, Japan. Goals of the experiment.

375 views • 22 slides

BDNA/ZDNA FRET efficiency

BDNA/ZDNA FRET efficiency. SNU Compbio. ? ? ?. Introduction : Z-DNA. Is this a proper model for transcription process?. Introduction : Z-DNA. Supercoiling of the DNA template during transcription, LEROY F. LIU & JAMES C. WANG, June 17, 7024 (1987) , PNAS

316 views • 20 slides

What is the TOA-MD Model? Basic Concepts and an Example John Antle Roberto Valdivia

What is the TOA-MD Model? Basic Concepts and an Example John Antle Roberto Valdivia Agricultural and Resource Economics Oregon State University www.tradeoffs.oregonstate.edu. What is the TOA-MD Model?.

389 views • 19 slides

Principal Component Analysis in MD Simulation

Principal Component Analysis in MD Simulation. Speaker: ZHOU Chen-Yang Supervisor: Wu Yun-Dong. Methods to analyze MD trajectory. Intuition-based coordinates RMSD with respect to native state Fraction of native contacts Radius of gyration Other observables Advantage Easy to understand

539 views • 19 slides

Introduction to Molecular Dynamics

Homayoun Valafar Department of Computer Science and Engineering, USC. Introduction to Molecular Dynamics. History of Protein Motion. Proteins were anticipated (in 1950s) to be the molecules of inheritance.

364 views • 17 slides

Multi-organisation Grid Accounting System (MOGAS): PRAGMA deployment update

Multi-organisation Grid Accounting System (MOGAS): PRAGMA deployment update. A/Prof. Bu-Sung Lee, Francis School of Computer Engineering, Nanyang Technological University, Singapore. www.ntu-cg.ntu.edu.sg/mogas/pragma. MOGAS overview. PRAGMA MOGAS status. KISTI, Korea. NCSA, USA.

276 views • 17 slides

Nano-indentation of Graphene Sheet using Molecular Dynamic Simulation

Nano-indentation of Graphene Sheet using Molecular Dynamic Simulation. Roy Downs University of Arkansas Faculty Mentor: Dr. Joseph J. Rencis Graduate Student Mentor: Sachin Terdalkar. Graphene Sheet. Monolayer Structure of Carbon Atoms Hexagonal Shape Lattice Characteristics

798 views • 17 slides

Masayoshi Takayanagi Graduate School of Information Science, Nagoya University

FY2015 The 5th CREST Workshop 2015, October 6. Trial Copolymerization Simulation in a PCP Channel. Masayoshi Takayanagi Graduate School of Information Science, Nagoya University. Target system for radical copolymerization. c. 5-vinylisophthalic acid (S)

327 views • 16 slides

Screening of Water Dipoles inside Finite-Length Carbon Nanotubes

Screening of Water Dipoles inside Finite-Length Carbon Nanotubes. Yan Li , Deyu Lu ,Slava Rotkin Klaus Schulten and Umberto Ravaioli Beckman Institute, UIUC. Outline . Introduction on carbon nanotubes (CNTs) Electronic properties of finite length CNT

253 views • 16 slides

A Method for Combining Experimentation and Molecular Dynamics Simulation to Improve Cohesive Zone Models for Metallic Mi

A Method for Combining Experimentation and Molecular Dynamics Simulation to Improve Cohesive Zone Models for Metallic Microstructures. Jacob Hochhalter 1,2 Miguel Aguilo 1 Prof. Anthony Ingraffea 1 Dr. Edward Glaessgen 2 Prof. Wilkins Aquino 1. 1 School of Civil and Envr. Engineering

374 views • 14 slides

MD Studies of LDL and HDL phases of Supercooled Water

MD Studies of LDL and HDL phases of Supercooled Water. Xiaohai Li (ChBE) Vamsi Akkineni (PHYS) Jianwei Wang (GEOL). Project Goals. Use Molecular Dynamics to simulate the LDL and HDL phases of supercooled water Obtain the radial distribution functions of two liquid phases of water

284 views • 13 slides

MD Studies of LDL and HDL phases of Supercooled Water

MD Studies of LDL and HDL phases of Supercooled Water. Xiaohai Li (ChBE) Vamsi Akkineni (PHYS) Jianwei Wang (GEOL). Project Goals. Use Molecular Dynamics to simulate the LDL and HDL phases of supercooled water Obtain the radial distribution functions of two liquid phases of water

252 views • 13 slides

Yichang Pan, Dodi Heryadi , Xiang Li, Lan Zhao, Gabriella Lestari, Haibin Su, Zhiping Lai

Synthesis of Dispersed Metal-Organic Framework Crystals with Controllable Size and Shape in Aqueous Systems. Yichang Pan, Dodi Heryadi , Xiang Li, Lan Zhao, Gabriella Lestari, Haibin Su, Zhiping Lai

253 views • 6 slides

De Novo Hierarchical Simulations of Stress Corrosion Cracking in Materials P. Vashishta, R.K. Kalia, & A. Nakano ( Univ. of Southern California ), W.A. Goddard & M. Ortiz (Caltech), A. Grama (Purdue), T. Cagin (Texas A&M) NSF ITR Grant Number: DMR 0427188.

130 views • 3 slides

Juhee Lee and Sunkee Kim

The Simulation of the quenching factor and the channeling effect for the CsI ( Tl ) and NaI ( Tl ) crystals . Juhee Lee and Sunkee Kim

115 views • 1 slides