From Colliding Atoms to Colliding Galaxies – The Complex Dynamics of Interacting Systems T. P. Devereaux Students: C. M. Palmer, M. Gallamore & G. McCormack PHYSICS 10, 2002 1 Many-Body Physics at Many Length Scales 10 - 10 m 10 – 10 m 26 15 2 Universe evolve? Phases of matter? Galaxy formation? Neural networks? -4 Cosmic strings? 10-4 – 10-8 m 1015 - 108 m Black holes? Star formation? Are orbits stable? 108 - 102 m Cell dynamics? Protein folding? Magnetic vortices in superconductors? Global warming? Electron transport? Predict weather? Ultra-cold atoms? Population biology? Forces inside the nucleus? PHYSICS 10, 2002 10-8 – 10-16 m 2 The Many-Body Problem What cannot be explained in terms of non-interacting particles: Solving for a particle’s path Collective behavior of many particles (galaxies, proteins, metals, etc.). Phase transitions (e.g. solid-liquid, ferromagnet-paramagnet). Structures and conformations (crystals, polymers, biopolymers, etc.). Start out with 1 particle: F=ma or -iħ∂Ψ/∂t = H Ψ - determines particle’s path. Add another particle: add V(r1-r2) - path of particle 1 depends on path of particle 2. Instabilities of “particles” or “fields” Add one more particle… (1D Luttinger liquid, black holes, NOT EXACTLY SOLVABLE! (except in special cases) cosmic strings). PROBLEM – How can we approach real systems? PHYSICS 10, 2002 3 What is Computational Physics? Computation v. Experiment v. Theory in Physics The goal of computational physics is not to replace theory or experiment, but to enhance our understanding of physical processes. PHYSICS 10, 2002 “Create experiments”. Visualize physics in action. Multi-disciplinary. Cost effective research. Very accessible. 4 Different Computational Approaches Enumeration (e.g. Monte Carlo). Simulation (molecular dynamics). Algebraic manipulations (Maple, Mathematica). Solution of approximate equations (dynamical mean field theory). PHYSICS 10, 2002 5 Enumeration – Monte Carlo methods Enumerate all the states of a system and determine their energy. Evolve towards a ground state. Used widely in chemistry, materials physics, and biophysics: Example: Simulated Annealing, Lattice Melting Low Temperature PHYSICS 10, 2002 High Temperature 6 Simulation: N-Body Tree Codes F=ma for all coupled particles (~106). Widely used in astronomy and condensed matter: Example: Galaxy merger C. Mihos, CWRU ` PHYSICS 10, 2002 7 Approach to Modeling Real Systems Work on either exact problems or toy models. Do “experiments” with basic fundamental ideas. Determine dynamics – macroscopic behavior reproduced? Determine essential physics ingredient. PHYSICS 10, 2002 8 Let’s Look at a Specific Problem… 1026 - 1015 m 102 – 10-4 m Universe evolve? Galaxy formation? Cosmic strings? Phases of matter? Neural networks? 10-4 – 10-8 m 1015 - 108 m Cell dynamics? Are orbits stable? Protein folding? • How do structures order? Star formation? in Whatholes? are magnetic Magnetic vortices vortices in superconductors? Black • How are they affected by superconductors? Dynamics of Extended Floppy Objects 8 - 102 m 10 • Lipids, proteins Predict weather? • DNA Global warming? Population biology? • Magnetic vortices PHYSICS 10, 2002 defects? 10-8 – 10-16 m How do they respond to external Electron•transport? forces? Ultra-cold atoms? Forces inside the nucleus? 9 Real applications of superconductors Mag-lev Transmission lines Biomedical applications Further applications? • peta-flop supercomputer? • nanoscale devices? • quantum computation? PHYSICS 10, 2002 10 Vortices in Superconductors • Electrons pair to lower their energy when cooled to superconducting state. • Electrons carry current without resistance and expel magnetic fields. • Electrons swirl in magnetic field –> KE kills superconductivity. • SOLUTION: Rather than kill superconductivity altogether, let magnetic field penetrate in isolated places -> VORTICES (tubes of swirling electrons). EXTENDED FLOPPY OBJECT (you can choose another if you like)! PHYSICS 10, 2002 11 Visualization of Increasing Applied Magnetic Field B Now if an external current B J is applied… More and more …and the vortices vortices appear begin to magnetic “order” as the into a lattice. field increases… J F Lorentz force causes vortices to move -> EMF produced and we get resistance! NO LONGER A SUPERCONDUCTOR! PHYSICS 10, 2002 12 Solution: Create defects to pin vortices • Krusin-Elbaum et al (1996). Vortices lower their energy by sitting on defects. • Critical current enhanced over “virgin” material. • Splayed defects better than straight ones. • Optimal splaying angle ~ 4 degrees. PHYSICS 10, 2002 13 Molecular Dynamics Simulations of Vortices Vortices = elastic strings under tension. Vortices repel each other. Temperature treated as Langevin noise. Solve equations of motion for each vortex. Calculate current versus applied Lorentz force, determine critical current. PHYSICS 10, 2002 14 Animation: Pinning of Vortices Different types of pinning: • straight • stretched • collective PHYSICS 10, 2002 …would be missed if vortices were treated individually. 15 Pinning Principles (fixed field) At low T, a few pinsColumnar can stop the defects whole lattice. PHYSICS 10, 2002 At larger T, pieces of lattice shear away. 16 Pinning principles (fixed temperature) For small fields, pinned vortices may trap others. PHYSICS 10, 2002 But “channels” of vortex flow appear at larger fields. 17 Depinning <-> vortex avalanches • So we must pin all vortices. STRATEGY • Identified • Use defects to pin, block channel flow. – blocking channel flow. • Take advantage of repulsion. main ingredient PHYSICS 10, 2002 18 A Wall of Defects? A wall of defects can stop channel flow… PHYSICS 10, 2002 …but causes too much damage to sample. 19 Splaying (tilting) Defects Vortices “stuck” on tilted defects. • Stuck vortices block interstitials. • Channels of flow eliminated. PHYSICS 10, 2002 But vortices have difficulty accommodating to defects for large angles of splay. 20 Reproducing Experiments • Two-stage depinning for columnar defects (squares) – channel flow and onset of bulk flow. Splayed defects (circles) eliminate channels of flow. • Used our simulations to identify main physical ingredient (blocking channel flow) to reproduce experimental behavior. PHYSICS 10, 2002 21 Ending the story… Computational many body physics is diverse and applicable to many important problems across many fields. PHYSICS 10, 2002 22 Summary Many-body problem touches all length scales, many areas of physics. Computational physics is a powerful and costeffective tool to complement theory/experiment. Many roads to follow: Use N-body tree codes to simulate galaxies and larger scale systems. Unzipping transitions in DNA; Pathways of protein folding -> Raman (light) scattering. Onset of avalanches. Behavior as a qubit (quantum computing). PHYSICS 10, 2002 23