Workshop Advisory Committee Gabe Aeppli (LCN London) Massimo Altarelli (Euro-XFEL ) Andrea Cavalleri (Oxford/DESY) Lin Chen (Argonne/Northwestern) George Crabtree (Argonne) Helmut Dosch (DESY) Janos Hajdu (Uppsala) Sol Gruner (Cornell) Jerry Hastings (SLAC) Rus Hemley (Carnegie Institute) Eric Isaacs (Argonne) Ben Larson (Oak Ridge) Richard Lee (Livermore) Ingolf Lindau (SLAC) Denny Mills (Argonne) Keith Moffat (Univ. Chicago) David Moncton (MIT) Harald Reichert (ESRF) Jo Stöhr (SLAC) Lou Terminello (PNNL) Linda Young (Argonne) Soichi Wakatsuki (KEK) Workshop Coordinator Anne Owens Workshop Chairs Uwe Bergmann, SLAC National Accelerator Laboratory Gopal Shenoy, Argonne National Laboratory Edgar Weckert, Deutsches Elektronen-Synchrotron, DES Contents EXECUTIVE SUMMARY ......................................................................................................................... vii 1 Background to the Workshop: Understanding the Evolution of Complexity ............................. 1 2 The Characteristics of Hard X-rays to Probe the Evolution of Complexity ................................. 9 2.1 Compact Light Sources .......................................................................................................... 10 2.2 Storage Rings ........................................................................................................................ 10 2.3 Energy-Recovery Linacs ........................................................................................................ 11 2.4 X-ray FELs .............................................................................................................................. 11 References in Section 2 .................................................................................................... 14 3 Focus Panels of the Workshop ..................................................................................................... 17 4 Focus Panel: Control of Complex Processes in Condensed Systems ........................................... 19 4.1 Introduction .......................................................................................................................... 20 4.2 Non-Equilibrium Magnetization Dynamics ........................................................................... 22 4.3 Experimental Determination of Anisotropy Fluctuations near the Curie Temperature ...... 26 4.4 Correlated Electron Systems Far from Equilibrium .............................................................. 28 4.5 Light-Induced Phase Transitions in Complex Materials ....................................................... 30 4.6 Ultrafast Electric/Magnetic Field Pumps .............................................................................. 32 4.7 Theory of Non-Equilibrium Condensed Matter .................................................................... 35 4.8 Opportunities/Needs ............................................................................................................ 36 References in Section 4 ................................................................................................................. 37 5 Focus Panel: Controlling the Dynamics of Materials Processing ................................................ 43 5.1 Introduction .......................................................................................................................... 44 5.2 Addressing Complexity with Characterization Utilizing Hard X-Ray Sources ....................... 45 5.3 Advances in Structural Characterization Utilizing New Hard X- Ray Sources ....................... 46 5.4 Coherency ............................................................................................................................. 48 5.5 Opportunities for Advances Utilizing Existing Sources ......................................................... 49 5.5.1 Detectors ................................................................................................................... 49 5.5.2 Addressing Complexity with Informatics .................................................................. 49 5.5.3 In Situ Experiments and Combinations of Techniques.............................................. 50 iii Contents (Cont.) 5.6 Example: Pulsed-Laser Processing and Pulsed-Deposition Film Growth ............................. 53 5.7 Example: High-Rate Deformation ......................................................................................... 56 5.8 Connections to Large-Scale Atomistic Simulations .............................................................. 57 5.9 Dynamics and Evolution of Atomic Displacement Cascades ................................................ 58 5.10 Solid/Liquid Phase Evolution Utilizing Containerless Processing ......................................... 60 5.11 Conclusions ........................................................................................................................... 63 References in Section 5 ................................................................................................................. 64 6 Focus Panel: Non-equilibrium Chemical Reactions ..................................................................... 67 6.1 Introduction .......................................................................................................................... 68 6.2 Chemical Reaction Dynamics: Structure of the Transition State.......................................... 68 6.2.1 Understanding Reaction Dynamics in Solar Cells ...................................................... 72 6.2.2 Solvation Dynamics ................................................................................................... 76 6.2.3 Information Storage .................................................................................................. 78 6.3 Quantum Control of Chemical Reactions ............................................................................. 81 6.3.1 Few Candidate Examples .......................................................................................... 81 6.3.2 Coherent Spatial Alignment ...................................................................................... 86 6.4 Dynamic Propagation of the Reactions in Multiple Time and Spatial Scales ....................... 87 6.5 Nano-scale Machines............................................................................................................ 92 6.6 Future Outlook ..................................................................................................................... 93 References in Section 6 ................................................................................................................. 95 7 Focus Panel: Controlling Biological Functions ............................................................................. 101 7.1 Introduction .......................................................................................................................... 102 7.2 Light-triggered Studies of Photosensitive Biomolecules ...................................................... 104 7.2.1 Optogenetics ............................................................................................................. 106 7.2.2 Coherent Control of Biological Functions ................................................................. 108 7.3 Protein Folding ..................................................................................................................... 110 7.4 Correlated X-ray Scattering (CXS) to Track Enzyme Catalysis .............................................. 115 7.5 Physiology and Biomechanics ............................................................................................... 116 iv Contents (Cont.) References in Section 7 ................................................................................................................. 120 8 Focus Panel: Soft Matter Dynamics in Soft Matter and Fluidics ................................................. 125 8.1 Introduction .......................................................................................................................... 126 8.2 Dynamics of Granular Material and Bursting Bubbles ......................................................... 127 8.3 Hydrodynamics of Flowing Fluids: Micro- and Nanofluidics ................................................ 129 8.3.1 Fuel Spray and Soot Formation ................................................................................. 130 8.3.2 Food Absorption through Butterfly Proboscis: Fluid Flow in Flexible Microfluidic Channels ................................................................................................ 133 8.3.3 Hydrodynamic Interaction of Flowing Colloid Suspensions ...................................... 134 8.3.4 Nonlinear Electrorheological and Magnetoreheological Fluids ................................ 138 8.4 Complex Pathways of Self-Assembly Processes in Soft Matter ........................................... 140 8.5 Lateral Stress Relaxation in Lipid Surfactant Monolayers .................................................... 143 8.6 Future Outlook ..................................................................................................................... 146 References in Section 8 ................................................................................................................. 147 9 Focus Panel: Nonlinear X-ray Science, X-ray Quantum Optics, and Extreme Metrology......................................................................................................................