High-throughput Simulations of Shock-waves Using MD. Jacob Wilkins University of York
|
|
|
- Steven Knight
- 5 years ago
- Views:
Transcription
1 High-throughput Simulations of Using MD Jacob Wilkins University of York Mar 2018
2 Outline
3 What are shock-waves? are pressure-waves moving through material faster than sound. System has no time to relax and dissipate energy. The shock is made of 3 major parts: Unshocked Region which the shock has not yet reached. Shock Front Region which is currently under shock. Post-shock rarefaction Region through which the shock has passed.
4 Why are shock-waves important? occur frequently in nature. Useful probes of extreme systems. Useful in development of new materials. Useful in materials properties testing.
5 Why do we need simulations? happen quickly. Shock-wave experiments can be expensive. Shock-wave experiments can be dangerous.
6 What is it? Modified equations of motion for shock state. Based on Hugoniot-Rankine jump conditions Equation of state for shocked system. Applies friction or acceleration to atoms to get correct energy. E 2 E 1 = 1 2 (P 2 + P 1 ) (V 1 V 2 ) (1) Hugoniot-Rankine Equation
7 Implementation Implemented as a Nosé-Hoover integrator. Requires coupling (χ) to the system motion. Coupling related to vibrational modes of compressed state. Can be done as a single compression, steady compression or with extra terms to modulate pressure. ṗ i = F i χp i (2) χ i = E 2 E (P 2 + P 1 ) (V 1 V 2 ) (3) Modification to the EoM at each step
8 In summary + Equilibrate system to Hugoniot of system. + Implemented like a thermostat. + Doesn t need large simulation cell. + Can obtain relaxation information. - Only simulates system at shock-front. - Lose transitional states. - Require prior knowledge of system.
9 Simulation developments Ab initio much better in static cell. Though static compression exists... Difficult to predict pressure of given compression. Difficult to predict coupling at given compression. Need to estimate at these. Bad estimate = Wasted calculation Temperature (K) Time (fs)
10 Build upon a series of static compression measurements. Predict compression for next target pressure. Use curvature to estimate coupling of next system. Completely automate generation of Hugoniot profile Temperature (K) Time (fs/10^3)
11 Pressure Curve Pressure (GPa) Compression (V/V0) 500 atom Lennard-Jones simulation using the predictor-corrector method
12 Temperature Curve Temperature (K/10^3) Compression (V/V0) 500 atom Lennard-Jones simulation using the predictor-corrector method
13 Hugoniot Temperature (K/10^3) Pressure (GPa) 500 atom Lennard-Jones simulation using the predictor-corrector method
14 What can we get? All sorts of properties of the shocked states: Relaxation geometries Grüneisen parameter Shear and bulk moduli Structural defect formation
15 Use to find shocked state of materials. Measure system states at each step and use curvature to estimate coupling of next system. Completely automates generation of Hugoniot profile. Reference: : B Maillet, J et al. (2001). Uniaxial : A method for atomistic simulations of shocked materials. doi: /physreve
Computer Simulation of Shock Waves in Condensed Matter. Matthew R. Farrow 2 November 2007
Computer Simulation of Shock Waves in Condensed Matter Matthew R. Farrow 2 November 2007 Outline of talk Shock wave theory Results Conclusion Computer simulation of shock waves Shock Wave Theory Shock
What is Classical Molecular Dynamics?
What is Classical Molecular Dynamics? Simulation of explicit particles (atoms, ions,... ) Particles interact via relatively simple analytical potential functions Newton s equations of motion are integrated
Langevin Dynamics in Constant Pressure Extended Systems
Langevin Dynamics in Constant Pressure Extended Systems D. Quigley and M.I.J. Probert CMMP 2004 1 Talk Outline Molecular dynamics and ensembles. Existing methods for sampling at NPT. Langevin dynamics
PHYS 643 Week 4: Compressible fluids Sound waves and shocks
PHYS 643 Week 4: Compressible fluids Sound waves and shocks Sound waves Compressions in a gas propagate as sound waves. The simplest case to consider is a gas at uniform density and at rest. Small perturbations
Underwater explosion (non-contact high-intensity and/or near-field) induced shock loading of structures
Underwater explosion (non-contact high-intensity and/or near-field) induced shock loading of structures -Nilanjan Mitra - (With due acknowledgements to my PhD student: Ritwik Ghoshal) Underwater explosion
Javier Junquera. Statistical mechanics
Javier Junquera Statistical mechanics From the microscopic to the macroscopic level: the realm of statistical mechanics Computer simulations Thermodynamic state Generates information at the microscopic
Steady waves in compressible flow
Chapter Steady waves in compressible flow. Oblique shock waves Figure. shows an oblique shock wave produced when a supersonic flow is deflected by an angle. Figure.: Flow geometry near a plane oblique
Shear Properties and Wrinkling Behaviors of Finite Sized Graphene
Shear Properties and Wrinkling Behaviors of Finite Sized Graphene Kyoungmin Min, Namjung Kim and Ravi Bhadauria May 10, 2010 Abstract In this project, we investigate the shear properties of finite sized
Molecular Dynamics Simulations of Hugoniot Relations for Poly[methyl methacrylate]
![Molecular Dynamics Simulations of Hugoniot Relations for Poly[methyl methacrylate]](/thumbs/88/114923097.jpg "Molecular Dynamics Simulations of Hugoniot Relations for Poly[methyl methacrylate]")
Molecular Dynamics Simulations of Hugoniot Relations for Poly[methyl methacrylate] by Tanya L. Chantawansri, Edward F. C. Byrd, Betsy M. Rice, and Jan W. Andzelm ARL-TR-5819 November 2011 Approved for
STRONG CONFIGURATIONAL DEPENDENCE OF ELASTIC PROPERTIES OF A CU-ZR BINARY MODEL METALLIC GLASS
Chapter 3 STRONG CONFIGURATIONAL DEPENDENCE OF ELASTIC PROPERTIES OF A CU-ZR BINARY MODEL METALLIC GLASS We report the strong dependence of elastic properties on configurational changes in a Cu-Zr binary
Shock Waves. 1 Steepening of sound waves. We have the result that the velocity of a sound wave in an arbitrary reference frame is given by: kˆ.
Shock Waves Steepening of sound waves We have the result that the velocity of a sound wave in an arbitrary reference frame is given by: v u kˆ c s kˆ where u is the velocity of the fluid and k is the wave
High Temperature High Pressure Properties of Silica From Quantum Monte Carlo
High Temperature High Pressure Properties of Silica From Quantum Monte Carlo K.P. Driver, R.E. Cohen, Z. Wu, B. Militzer, P. Lopez Rios, M. Towler, R. Needs, and J.W. Wilkins Funding: NSF, DOE; Computation:
Part 2: Molecular Dynamics. Literature History Practical Issues
Part 2: Molecular Dynamics Literature History Practical Issues 1 Literature A. K. Hartmann Big Practical Guide to Computer Simulations (World Scientific, 2015) M. P. Allen and D.J. Tildesley Computer Simulations
Numerical modeling of sliding contact
Numerical modeling of sliding contact J.F. Molinari 1) Atomistic modeling of sliding contact; P. Spijker, G. Anciaux 2) Continuum modeling; D. Kammer, V. Yastrebov, P. Spijker pj ICTP/FANAS Conference
NATURE OF SHORT HIGH AMPLITUDE PULSES IN A PERIODIC DISSIPATIVE LAMINATE METAMATERIAL. Jolla CA USA USA USA
NATURE OF SHORT HIGH AMPLITUDE PULSES IN A PERIODIC DISSIPATIVE LAMINATE METAMATERIAL Pedro Franco Navarro 1, David J. Benson 2, Vitali F. Nesterenko 1, 3 1 Department of Mechanical and Aerospace Engineering,
Carbon nanotube oscillators: Effect of small bending strain
Proceedings of ICTACEM 2014 International Conference on Theoretical, Applied, Computational and Experimental Mechanics December 29-31, 2014, IIT Kharagpur, India ICTACEM-2014/405 Carbon nanotube oscillators:
Supplementary Materials
Supplementary Materials Atomistic Origin of Brittle Failure of Boron Carbide from Large Scale Reactive Dynamics Simulations; Suggestions toward Improved Ductility Qi An and William A. Goddard III * Materials
Nosé-Hoover chain method for nonequilibrium molecular dynamics simulation
PHYSICAL REVIEW E VOLUME 61, NUMBER 5 MAY 000 Nosé-Hoover chain method for nonequilibrium molecular dynamics simulation A. C. Brańka Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego
Introduction to Aerodynamics. Dr. Guven Aerospace Engineer (P.hD)
Introduction to Aerodynamics Dr. Guven Aerospace Engineer (P.hD) Aerodynamic Forces All aerodynamic forces are generated wither through pressure distribution or a shear stress distribution on a body. The
Direct Molecular Simulation of Hypersonic Flows
Direct Molecular Simulation of Hypersonic Flows Thomas E. Schwartzentruber Aerospace Engineering & Mechanics University of Minnesota UMN Students and Researchers: Savio Poovathingal 1 Paul Norman 3 Chonglin
Particle acceleration and generation of high-energy photons
Particle acceleration and generation of high-energy photons For acceleration, see Chapter 21 of Longair Ask class: suppose we observe a photon with an energy of 1 TeV. How could it have been produced?
A Nobel Prize for Molecular Dynamics and QM/MM What is Classical Molecular Dynamics? Simulation of explicit particles (atoms, ions,... ) Particles interact via relatively simple analytical potential
Radiative & Magnetohydrodynamic Shocks
Chapter 4 Radiative & Magnetohydrodynamic Shocks I have been dealing, so far, with non-radiative shocks. Since, as we have seen, a shock raises the density and temperature of the gas, it is quite likely,
IV. Compressible flow of inviscid fluids
IV. Compressible flow of inviscid fluids Governing equations for n = 0, r const: + (u )=0 t u + ( u ) u= p t De e = + ( u ) e= p u+ ( k T ) Dt t p= p(, T ), e=e (,T ) Alternate forms of energy equation
APMA 2811T. By Zhen Li. Today s topic: Lecture 2: Theoretical foundation and parameterization. Sep. 15, 2016
Today s topic: APMA 2811T Dissipative Particle Dynamics Instructor: Professor George Karniadakis Location: 170 Hope Street, Room 118 Time: Thursday 12:00pm 2:00pm Dissipative Particle Dynamics: Foundation,
Extension of the Planar Noh Problem to Aluminum, Iron, Copper, and Tungsten
Extension of the Planar Noh Problem to Aluminum, Iron, Copper, and Tungsten Chloe E. Yorke, April D. Howard, Sarah C. Burnett, Kevin G. Honnell a), Scott D. Ramsey, and Robert L. Singleton, Jr. Computational
Implementation of consistent embedding for a larger system Amorphous silica
Journal of Computer-Aided Materials Design (2006) 13:61 73 Springer 2006 DOI 10.1007/s10820-006-9015-z Implementation of consistent embedding for a larger system Amorphous silica KRISHNA MURALIDHARAN a,,
Lecture I: Basic Physics
1 Velocity: Instantaneous change in position! = $% ' $& Suppose object position ( ) and constant velocity!. After time step +: ( ) + + + = ( ) + +! + ( ) = ( ) + + + ( ) + =! +.! is never constant in practice
ATOMISTIC MODELING OF DIFFUSION IN ALUMINUM
ATOMISTIC MODELING OF DIFFUSION IN ALUMINUM S. GRABOWSKI, K. KADAU and P. ENTEL Theoretische Physik, Gerhard-Mercator-Universität Duisburg, 47048 Duisburg, Germany (Received...) Abstract We present molecular-dynamics
Composite Structures
Composite Structures 96 (2013) 601 605 Contents lists available at SciVerse ScienceDirect Composite Structures journal homepage: www.elsevier.com/locate/compstruct Meso-scale modelling of shock wave propagation
Molecular Dynamics Simulations. Dr. Noelia Faginas Lago Dipartimento di Chimica,Biologia e Biotecnologie Università di Perugia
Molecular Dynamics Simulations Dr. Noelia Faginas Lago Dipartimento di Chimica,Biologia e Biotecnologie Università di Perugia 1 An Introduction to Molecular Dynamics Simulations Macroscopic properties
Department of Engineering Mechanics, SVL, Xi an Jiaotong University, Xi an
The statistical characteristics of static friction J. Wang, G. F. Wang*, and W. K. Yuan Department of Engineering Mechanics, SVL, Xi an Jiaotong University, Xi an 710049, China * E-mail: wanggf@mail.xjtu.edu.cn
Introduction to model potential Molecular Dynamics A3hourcourseatICTP
Introduction to model potential Molecular Dynamics A3hourcourseatICTP Alessandro Mattoni 1 1 Istituto Officina dei Materiali CNR-IOM Unità di Cagliari SLACS ICTP School on numerical methods for energy,
Modeling Rarefaction and Shock waves
April 30, 2013 Inroduction Inroduction Rarefaction and shock waves are combinations of two wave fronts created from the initial disturbance of the medium. Inroduction Rarefaction and shock waves are combinations
Investigations of Freezing Pure Water
Investigations of Freezing Pure Water David Meldgin Constanze Kalcher May 2, 2013 Abstract We use a the molecular simulation package LAAMPS to simulate the freezing of water. We analyze the SPC and TIP3P
Introduction to Solving the Time- Dependent Schrödinger Equation. Tom Penfold
Introduction to Solving the Time- Dependent Schrödinger Equation Tom Penfold Outline 1 Introduction to Solving the Time-Dependent Schrödinger Equation What problems are we trying to solve? How can we use
Comprehensive Nuclear Materials Modelling Section (R. Stoller, Editor) Chapter 128 Molecular Dynamics.
draft 5/10/10 revised SY 12/5/10 Comprehensive Nuclear Materials Modelling Section (R. Stoller, Editor) Chapter 128 Molecular Dynamics Wei Cai 1, Ju Li 2, Sidney Yip 3 1 Department of Mechanical Engineering,
Index. A Ab-initio, 8 Accomodation, 7 Accuracy, 37 hardware, 37 software, 37 Ackland, 36, 55, 157 Andersen, 44, 47 Austenite, 3
Index A Ab-initio, 8 Accomodation, 7 Accuracy, 37 hardware, 37 software, 37 Ackland, 36, 55, 157 Andersen, 44, 47 Austenite, 3 B B2, 151 154, 156 Bain, 9, 10, 72, 73 parameters, 9 transformation, 9, 72
MD Thermodynamics. Lecture 12 3/26/18. Harvard SEAS AP 275 Atomistic Modeling of Materials Boris Kozinsky
MD Thermodynamics Lecture 1 3/6/18 1 Molecular dynamics The force depends on positions only (not velocities) Total energy is conserved (micro canonical evolution) Newton s equations of motion (second order
Introduction to molecular dynamics
1 Introduction to molecular dynamics Yves Lansac Université François Rabelais, Tours, France Visiting MSE, GIST for the summer Molecular Simulation 2 Molecular simulation is a computational experiment.
Mechanical Properties of Tetra-Polyethylene and Tetra-Polyethylene Oxide Diamond Networks via Molecular Dynamics Simulations
Supplemental Information Mechanical Properties of Tetra-Polyethylene and Tetra-Polyethylene Oxide Diamond Networks via Molecular Dynamics Simulations Endian Wang and Fernando A. Escobedo Table S1 Lennard-Jones
8.2.2 Rudiments of the acceleration of particles
430 The solar wind in the Universe intergalactic magnetic fields that these fields should not perturb them. Their arrival directions should thus point back to their sources in the sky, which does not appear
From Atoms to Materials: Predictive Theory and Simulations
From Atoms to Materials: Predictive Theory and Simulations Week 3 Lecture 4 Potentials for metals and semiconductors Ale Strachan strachan@purdue.edu School of Materials Engineering & Birck anotechnology
Effects of Free Edges and Vacancy Defects on the Mechanical Properties of Graphene
Proceedings of the 14th IEEE International Conference on Nanotechnology Toronto, Canada, August 18-21, 214 Effects of Free Edges and Vacancy Defects on the Mechanical Properties of Graphene M. A. N. Dewapriya
Work by Friction. A box slides 10 m across a surface. A frictional force of 20 N is acting on the box.
Work by Friction A box slides 10 m across a surface. A frictional force of 20 N is acting on the box. What is the work done by friction? What happened to this energy? Work by Friction A box slides 10 m
EQUATION OF STATE FOR MODELING THE DETONATION REACTION ZONE
EQUATION OF STATE FOR MODELING THE DETONATION REACTION ZONE D. Scott Stewart and Sunhee Yoo Department of Theoretical and Applied Mechanics University of Illinois, Urbana, IL 61801, USA William C. Davis
SUPPLEMENTARY INFORMATION
SUPPLEMENTARY INFORMATION Supplementary Information Figure S1: (a) Initial configuration of hydroxyl and epoxy groups used in the MD calculations based on the observations of Cai et al. [Ref 27 in the
n v molecules will pass per unit time through the area from left to
3 iscosity and Heat Conduction in Gas Dynamics Equations of One-Dimensional Gas Flow The dissipative processes - viscosity (internal friction) and heat conduction - are connected with existence of molecular
Molecular dynamics simulations of coherent optical photon emission from shock waves in crystals
Molecular dynamics simulations of coherent optical photon emission from shock waves in crystals Evan J. Reed, 1,2, * Marin Soljačić, 2 Richard Gee, 1 and J. D. Joannopoulos 2 1 Lawrence Livermore National
Nonlinear stability of compressible vortex sheets in two space dimensions
of compressible vortex sheets in two space dimensions J.-F. Coulombel (Lille) P. Secchi (Brescia) CNRS, and Team SIMPAF of INRIA Futurs Evolution Equations 2006, Mons, August 29th Plan 1 2 3 Related problems
Answers to Problem Set Number 04 for MIT (Spring 2008)
Answers to Problem Set Number 04 for 18.311 MIT (Spring 008) Rodolfo R. Rosales (MIT, Math. Dept., room -337, Cambridge, MA 0139). March 17, 008. Course TA: Timothy Nguyen, MIT, Dept. of Mathematics, Cambridge,
Cosmological 1st Order Phase Transitions: Bubble Growth & Energy Budget
Cosmological 1st Order Phase Transitions: Bubble Growth & Energy Budget Jose Miguel No (IPhT CEA Saclay) ULB, Brussels, January 28th 2011 Outline Introduction to 1st Order Phase Transitions: Bubble Nucleation
Introduction to atomic scale simulations
Powder Technology course Autumn semester 2017 Introduction to atomic scale simulations Peter M Derlet Condensed Matter Theory Paul Scherrer Institut peter.derlet@psi.ch Outline of lecture The big picture
Shock on the left: locus where cars break behind the light.
Review/recap of theory so far. Evolution of wave profile, as given by the characteristic solution. Graphical interpretation: Move each point on graph at velocity c(ρ). Evolution as sliding of horizontal
INTRODUCTION TO THE PHYSICS OF THE EARTH S INTERIOR
INTRODUCTION TO THE PHYSICS OF THE EARTH S INTERIOR SECOND EDITION JEAN-PAULPOIRIER Institut de Physique du Globe de Paris PUBLISHED BY THE PRESS SYNDICATE OF THE UNIVERSITY OF CAMBRIDGE The Pitt Building,
THE INTERACTION OF TURBULENCE WITH THE HELIOSPHERIC SHOCK
THE INTERACTION OF TURBULENCE WITH THE HELIOSPHERIC SHOCK G.P. Zank, I. Kryukov, N. Pogorelov, S. Borovikov, Dastgeer Shaikh, and X. Ao CSPAR, University of Alabama in Huntsville Heliospheric observations
MOLECULAR DYNAMICS SIMULATIONS OF FRICTION FORCE VERSUS LOAD
MOLECULAR DYNAMICS SIMULATIONS OF FRICTION FORCE VERSUS LOAD Ana-Camelia Pirghie Stefan cel Mare University of Suceava, Department of Mechanics and Technology, camelia.pirghie@fim.usv.ro Abstract: The
Density Functional Modeling of Nanocrystalline Materials
Density Functional Modeling of Nanocrystalline Materials A new approach for modeling atomic scale properties in materials Peter Stefanovic Supervisor: Nikolas Provatas 70 / Part 1-7 February 007 Density
Estimation of damping capacity of rubber vibration isolators under harmonic excitation
Estimation of damping capacity of rubber vibration isolators under harmonic excitation Svetlana Polukoshko Ventspils University College, Engineering Research Institute VSRC, Ventspils, Latvia E-mail: pol.svet@inbox.lv
Molecular Dynamics Simulation of a Nanoconfined Water Film
Molecular Dynamics Simulation of a Nanoconfined Water Film Kyle Lindquist, Shu-Han Chao May 7, 2013 1 Introduction The behavior of water confined in nano-scale environment is of interest in many applications.
Hydraulics Prof. Dr. Arup Kumar Sarma Department of Civil Engineering Indian Institute of Technology, Guwahati
Hydraulics Prof. Dr. Arup Kumar Sarma Department of Civil Engineering Indian Institute of Technology, Guwahati Module No. # 08 Pipe Flow Lecture No. # 05 Water Hammer and Surge Tank Energy cannot be consumed
From Physical Modelling to Big Data Analytics: Examples and Challenges
From Physical Modelling to Big Data Analytics: Examples and Challenges Ben Leimkuhler University of Edinburgh EPSRC/NSF ERC ATI Summit on Big Data in the Physical Sciences Outline Part I: Challenges Ideas
Optimization Methods via Simulation
Optimization Methods via Simulation Optimization problems are very important in science, engineering, industry,. Examples: Traveling salesman problem Circuit-board design Car-Parrinello ab initio MD Protein
A Study of the Thermal Properties of a One. Dimensional Lennard-Jones System
A Study of the Thermal Properties of a One Dimensional Lennard-Jones System Abstract In this study, the behavior of a one dimensional (1D) Lennard-Jones (LJ) system is simulated. As part of this research,
Solar&wind+magnetosphere&coupling&via&magnetic&reconnection&likely&becomes& less&efficient&the&further&a&planetary&magnetosphere&is&from&the&sun& &
Solar&wind+magnetosphere&coupling&via&magnetic&reconnection&likely&becomes& less&efficient&the&further&a&planetary&magnetosphere&is&from&the&sun& & Although&most&of&the&planets&in&the&Solar&System&have&an&intrinsic&magnetic&field&
Exploring the anomalous behavior of metal nanocatalysts with finite temperature AIMD and x-ray spectra
Exploring the anomalous behavior of metal nanocatalysts with finite temperature AIMD and x-ray spectra F.D. Vila DOE grant DE-FG02-03ER15476 With computer support from DOE - NERSC. Importance of Theoretical
Numerical Simulations of 3D Reconnection: rotating footpoints
Numerical Simulations of 3D Reconnection: rotating footpoints I. De Moortel 1, K. Galsgaard 2 1 University of St Andrews, UK 2 Niels Bohr Institute, Denmark Contents: - numerical setup - description of
Probing the Origins of Intermolecular Vibrational and Relaxational Dynamics in Organic Solids with CP2K
Probing the Origins of Intermolecular Vibrational and Relaxational Dynamics in Organic Solids with CP2K Michael Ruggiero Department of Chemical Engineering and Biotechnology, University of Cambridge CP2K
Gravity Waves Gravity Waves
Gravity Waves Gravity Waves 1 Gravity Waves Gravity Waves Kayak Surfing on ocean gravity waves Oregon Coast Waves: sea & ocean waves 3 Sound Waves Sound Waves: 4 Sound Waves Sound Waves Linear Waves compression
arxiv:cond-mat/ v1 [cond-mat.mtrl-sci] 28 Jun 2001
![arxiv:cond-mat/ v1 [cond-mat.mtrl-sci] 28 Jun 2001](/thumbs/84/89364988.jpg "arxiv:cond-mat/ v1 [cond-mat.mtrl-sci] 28 Jun 2001")
arxiv:cond-mat/665v [cond-mat.mtrl-sci] 28 Jun 2 Matching Conditions in -Continuum Modeling of Materials Weinan E and Zhongyi Huang 2 Department of Mathematics and PACM, Princeton University and School
the pitot static measurement equal to a constant C which is to take into account the effect of viscosity and so on.
Mechanical Measurements and Metrology Prof. S. P. Venkateshan Department of Mechanical Engineering Indian Institute of Technology, Madras Module -2 Lecture - 27 Measurement of Fluid Velocity We have been
Gear methods I + 1/18
Gear methods I + 1/18 Predictor-corrector type: knowledge of history is used to predict an approximate solution, which is made more accurate in the following step we do not want (otherwise good) methods
Modeling the combined effect of surface roughness and shear rate on slip flow of simple fluids
Modeling the combined effect of surface roughness and shear rate on slip flow of simple fluids Anoosheh Niavarani and Nikolai Priezjev www.egr.msu.edu/~niavaran November 2009 A. Niavarani and N.V. Priezjev,
Fluid Mechanics Theory I
Fluid Mechanics Theory I Last Class: 1. Introduction 2. MicroTAS or Lab on a Chip 3. Microfluidics Length Scale 4. Fundamentals 5. Different Aspects of Microfluidcs Today s Contents: 1. Introduction to
Simulation of sympathetic detonation by a CIP Eulerian code
Computational Ballistics II 107 Simulation of sympathetic detonation by a CIP Eulerian code S. Kubota 1, Z. Liu 2, T. Saburi 1, Y. Ogata 1 & M. Yoshida 1 1 Research Center for Explosion Safety, National
Classical Molecular Dynamics
Classical Molecular Dynamics Matt Probert Condensed Matter Dynamics Group Department of Physics, University of York, U.K. http://www-users.york.ac.uk/~mijp1 Overview of lecture n Motivation n Types of
Sound velocities in highly-oriented pyrolytic graphite shocked to 18. GPa: orientational order dependence and elastic instability
Sound velocities in highly-oriented pyrolytic graphite shocked to 18 GPa: orientational order dependence and elastic instability Marcel Lucas, J. M. Winey, and Y. M. Gupta Institute for Shock Physics and
Ernstson, K.* (2011): Shock spallation a typical impact process in the Chiemgau meteorite crater strewn field.
Ernstson, K.* (2011): Shock spallation a typical impact process in the Chiemgau meteorite crater strewn field. *Faculty of Philosophy I, University of Würzburg, D-97074 Würzburg, Germany, kernstson@ernstson.de
Temperature and Pressure Controls
Ensembles Temperature and Pressure Controls 1. (E, V, N) microcanonical (constant energy) 2. (T, V, N) canonical, constant volume 3. (T, P N) constant pressure 4. (T, V, µ) grand canonical #2, 3 or 4 are
Combined atomistic-continuum modeling of short-pulse laser melting and disintegration of metal films
Combined atomistic-continuum modeling of short-pulse laser melting and disintegration of metal films Dmitriy S. Ivanov and Leonid V. Zhigilei* Department of Materials Science and Engineering, University
Efficient Determination of Hugoniot States Using Classical Molecular Simulation Techniques
Efficient Determination of Hugoniot States Using Classical Molecular Simulation Techniques by John K. Brennan and Betsy M. Rice ARL-RP-145 September 2006 A reprint from Molecular Physics, vol. 101, no.
Density scaling of the diffusion coefficient at various pressures in viscous liquids [accepted for publication in Phys. Rev.
Density scaling of the diffusion coefficient at various pressures in viscous liquids [accepted for publication in Phys. Rev. E (2009)] Anthony N. Papathanassiou University of Athens, Physics Department,
Quantum (Path Integral) Molecular Dynamics
Quantum (Path Integral) Molecular Dynamics Matt Probert Condensed Matter Dynamics Group Department of Physics, University of York, U.K. http://www-users.york.ac.uk/~mijp1 Overview of lecture n Background
4/14/11. Chapter 12 Static equilibrium and Elasticity Lecture 2. Condition for static equilibrium. Stability An object is in equilibrium:
About Midterm Exam 3 When and where Thurs April 21 th, 5:45-7:00 pm Rooms: Same as Exam I and II, See course webpage. Your TA will give a brief review during the discussion session. Coverage: Chapts 9
Inhomogeneous elastic response of amorphous solids
Inhomogeneous elastic response of amorphous solids Jean-Louis Barrat Université de Lyon Institut Universitaire de France Acknowledgements: Anne Tanguy, Fabien Chay Goldenberg, Léonforte, Michel Tsamados
friction friction a-b slow fast increases during sliding
µ increases during sliding faster sliding --> stronger fault --> slows sliding leads to stable slip: no earthquakes can start velocity-strengthening friction slow fast µ velocity-strengthening friction
Introduction to Molecular Dynamics
Introduction to Molecular Dynamics Dr. Kasra Momeni www.knanosys.com Overview of the MD Classical Dynamics Outline Basics and Terminology Pairwise interacting objects Interatomic potentials (short-range
of Friction in Fluids Dept. of Earth & Clim. Sci., SFSU
Summary. Shear is the gradient of velocity in a direction normal to the velocity. In the presence of shear, collisions among molecules in random motion tend to transfer momentum down-shear (from faster
Quasi-linear first order equations. Consider the nonlinear transport equation
Quasi-linear first order equations Consider the nonlinear transport equation u t + c(u)u x = 0, u(x, 0) = f (x) < x < Quasi-linear first order equations Consider the nonlinear transport equation u t +
Lecture 7 Detonation Waves
Lecture 7 etonation Waves p strong detonation weak detonation weak deflagration strong deflagration / 0 v =/ University of Illinois at Urbana- Champaign eflagrations produce heat Thermal di usivity th
arxiv:cond-mat/ v2 [cond-mat.mtrl-sci] 26 Nov 1999
![arxiv:cond-mat/ v2 [cond-mat.mtrl-sci] 26 Nov 1999](/thumbs/84/91155599.jpg "arxiv:cond-mat/ v2 [cond-mat.mtrl-sci] 26 Nov 1999")
arxiv:cond-mat/9911407v2 [cond-mat.mtrl-sci] 26 Nov 1999 Equations of state for solids at high pressures and temperatures from shock-wave data Valentin Gospodinov Bulgarian Academy of Sciences, Space Research
Introduction to Simulation - Lectures 17, 18. Molecular Dynamics. Nicolas Hadjiconstantinou
Introduction to Simulation - Lectures 17, 18 Molecular Dynamics Nicolas Hadjiconstantinou Molecular Dynamics Molecular dynamics is a technique for computing the equilibrium and non-equilibrium properties
EXPERIMENTAL STUDY OF SHOCK WAVE INTERACTING PLANE GAS-PLASMA BOUNDARY
ISTP-16, 2005, PRAGUE 16 TH INTERNATIONAL SYMPOSIUM ON TRANSPORT PHENOMENA EXPERIMENTAL STUDY OF SHOCK WAVE INTERACTING PLANE GAS-PLASMA BOUNDARY Znamenskaya I.A., Koroteev D.А., Popov N.A. Moscow State
VISCOELASTIC PROPERTIES OF POLYMERS
VISCOELASTIC PROPERTIES OF POLYMERS John D. Ferry Professor of Chemistry University of Wisconsin THIRD EDITION JOHN WILEY & SONS New York Chichester Brisbane Toronto Singapore Contents 1. The Nature of
The Riemann problem. The Riemann problem Rarefaction waves and shock waves
The Riemann problem Rarefaction waves and shock waves 1. An illuminating example A Heaviside function as initial datum Solving the Riemann problem for the Hopf equation consists in describing the solutions
For info and ordering all the 4 versions / languages of this book please visit: http://trl.lab.uic.edu/pon Contents Preface vii Chapter 1 Advances in Atomic and Molecular Nanotechnology Introduction 1
arxiv: v2 [cond-mat.mtrl-sci] 24 Nov 2009
![arxiv: v2 [cond-mat.mtrl-sci] 24 Nov 2009](/thumbs/93/111672093.jpg "arxiv: v2 [cond-mat.mtrl-sci] 24 Nov 2009")
An Equation of State for Anisotropic Solids under Shock Loading arxiv:09.477v2 [cond-mat.mtrl-sci] 24 Nov 2009 Alexander A. Lukyanov Abingdon Technology Centre, Schlumberger, Abingdon, OX4 UJ, UK (Dated:
Compressible MHD Turbulence in Strongly Radiating Molecular Clouds in Astrophysics*
Poster T25 Compressible MHD Turbulence in Strongly Radiating Molecular Clouds in Astrophysics* D.D. Ryutov LLNL, Livermore, CA 94551, USA Presented at 8 th International Workshop on the Physics of Compressible
The yielding transition in periodically sheared binary glasses at finite temperature. Nikolai V. Priezjev
The yielding transition in periodically sheared binary glasses at finite temperature Nikolai V. Priezjev 5 March, 2018 Department of Mechanical and Materials Engineering Wright State University Movies,
Molecular dynamics simulation. CS/CME/BioE/Biophys/BMI 279 Oct. 5 and 10, 2017 Ron Dror
Molecular dynamics simulation CS/CME/BioE/Biophys/BMI 279 Oct. 5 and 10, 2017 Ron Dror 1 Outline Molecular dynamics (MD): The basic idea Equations of motion Key properties of MD simulations Sample applications