Abstract This report summarizes progress from the Laboratory Directed Research and Development (LDRD) program during fiscal year 2000. In addition to a programmatic and financial overview, the report includes progress reports from 244 individual R&D projects in 13 categories. This work was supported by the United States Department of Energy under Contract DE-AC04-94-AL85000. Cover (Above) Sandia is a multiprogram laboratory operated by Sandia Corporation, a The LDRD Program supports the DOE’s and the Laboratories’ Lockheed Martin Company, for the missions through Sandia’s four primary strategic objectives: United States Department of Energy. nuclear weapons, nonproliferation and materials control, energy and critical infrastructure, and emerging national security threats. SAND 2001-1126 To meet these objectives, LDRD promotes creative and innovative March, 2001 research and development that Labs Director Ambassador C. Paul Robinson describes as “… the lifeblood of the Laboratories.” Over 90% of all Sandia National Laboratories’ LDRD projects provide both direct and indirect benefit to the national security and weapons missions of the Laboratories and the DOE. LDRD Annual Report Staff: W t The Science and Technology (S&T) Research Foundations Chuck Meyers category prioritizes investigations to ensure overall relevance to Cynthia Harvey the Labs’ nuclear weapons mission while building upon anticipated Donna Chavez future directions of the Laboratories. LDRD is a key component Bryon Cloer of the weapons research effort that enables Sandia’s continuing ability to meet its commitments in surety, microsystems, manufacturing, radiation physics, and neutron generators research and development. TECHnically Carol Whiddon WRITE Joy Bemesderfer Donna Drayer In addition, LDRD’s research investigations also promote t W Douglas Prout innovation aligned with the nonweapons missions of the Laboratories. These Roadmap Technologies research category investments derive their scientific and technology basis from the S&T competencies, are strategically important for future Sandia national security missions needs, and represent a spectrum of research leading to development and application. Sandia National Laboratories LDRD Annual Report 2000 3 Table of Contents 12 “...exceptional service in the national interest.” 63 Nonvolatile Protonic Memory 13 Laboratory Directed Research and 66 Next-Generation Output-Based Process Control: Development (LDRD) Program Overview An Integration of Modeling, Sensors, and Intelligent Data Analysis Materials Science & Technology 68 Functional Materials for Electrochemo- mechanical Actuation of Microvalves and Micropumps 32 Functional Materials for Microsystems: Smart Self-Assembled Photochromic Films 70 Making the Connection Between Microstructure and Mechanics 34 Innovative Experimental and Computational Diagnostics for Monitoring Corrosion in 72 Switchable Hydrophobic-Hydrophilic Surfaces Weapons Environments 74 Nanostructured Materials Integrated in 37 Self-Healing Molecular Assemblies for Control Microfabricated Optical Devices of Friction and Adhesion in MEMS 76 All-Ceramic Thin-Film Battery 39 Linking Atomistic Computations with Phase- Field Modeling 41 A Combinatorial Microlab Investigation of Computer Science Critical Copper-Corrosion Mechanisms 79 Heterogeneous Simulation 43 Self-Assembled Templates for Fabricating Novel Nanoarrays and Controlling Materials 81 Volumetric Video Motion Sensing for Growth Unobtrusive Human-Computer Interactions 45 Wetting and Spreading Dynamics of Solder and 83 Hybrid Sparse-Dense Incomplete Factorization Braze Alloys Preconditioners 48 Improved Materials-Aging Diagnostics and 85 Advanced Large-Eddy Simulation Algorithms Mechanisms Through 2-D Hyperspectral for Coupled-Flow Physics and Complex Imaging Methods and Algorithms Geometry 52 Microscale Shock-Wave Physics Using 87 Molecular Simulation of Reacting Systems Photonic Driver Techniques 89 Massively Parallel Global Climate Model for 54 Reactivity of Metal-Oxide Surfaces Paleoclimate Applications 57 Exploiting LENS Technology Through 91 From Atom-Picoseconds to Centimeter-Years in Novel Materials Simulation and Experiment 60 Molecular Characterization of Energetic- 93 Parallel Combinatorial Optimization for Material Initiation Scheduling Problems Sandia National Laboratories LDRD Annual Report 2000 4 Table of Contents 96 Multilevel Techniques for Unstructured Grid 129 Quantum Tunneling Transistors for Practical Problems on Massively Parallel Computers Applications 99 Visual Explanation and Insight 131 Development of Magnetically Excited Flexural Plate-Wave Devices for Implementation as 102 Emergent Behavior of Large Swarms of Physical, Chemical, and Acoustic Sensors, and Intelligent Agents as Integrated Micropumps for Sensored Systems 104 Algorithmic Advances in Computational Structural Biology 134 Novel Acoustically Driven Microoptoelectronic Devices 106 Predicting Function of Biological Macromolecules 136 Photonics Integration Devices and Technologies 108 Large-Scale Nonlinear Optimization Arising from PDE Models 139 Stress-Free Amorphous Diamond for High- Sensitivity Microsensors with Integrated 110 Parallel Methods for Coupling Circuit- and Microstructures Device-Scale Simulations 142 AlGaN Materials Engineering for Integrated 112 A Java-Based Tool for Multifidelity Modeling Multifunction Systems of Coupled Systems 144 Semiconductor Current Filament Lasers 114 Gamma-Ray Bursts and the Particle Mass Scale 147 SOI–Based High-Aspect-Ratio Si Bulk Micromachining for MEMS Applications Electronics & Photonics 150 Defining the Frontiers of Vertical, External- 117 Monolithic Integration of VCSELs and Cavity, Surface-Emitting Lasers Detectors for Microsystems 153 Photoresist Technology for 70 nm Lithography 119 Post-Processed Integrated Microsystems with 157 nm Radiation 122 Development of Radiation-Hard Sensors for 155 Growth and Characterization of Quantum Dots Space-Based Visible and Infrared Sensing and Quantum Dot Devices Applications 158 THz Technologies for Ultrahigh-Data-Rate 124 Silicon Three-Dimensional Photonic Crystal and Communications Its Applications 160 New Architectures for Micro-Total-Analytical 126 Monolithic Micromachined Variable Tuners for Systems Rapid Prototyping and Optimization of Microwave Circuits 162 Heterogeneous Integration of Optoelectronic Arrays and Microelectronics Sandia National Laboratories LDRD Annual Report 2000 5 Table of Contents 164 Biosensors Based on the Electrical Impedance 198 Innovative Measurement Diagnostics for Fluid/ of Tethered Lipid Bilayers on Planar Electrodes Solid and Fluid/Fluid Interactions in Rotating Flowfields 166 Miniature Sensors for BW Agents Using Fatty- Acid Profiles 201 High-Resolution Modeling of Multiscale Transient Phenomena in Turbulent Boundary 168 Enhanced-Sensitivity Acoustic-Wave Biosensor Layers Arrays 203 Dispersive Measurements of Velocity in 171 High-Al-Content AlGaInN Devices for Next- Heterogeneous Materials Generation Electronic and Optoelectronic Applications 206 A Physically Based Computational Method for Predicting Generalized Fracture 173 Microfabrication of Electromagnetic Devices 209 Micromechanical Failure Analyses for Finite- 175 GaAs MOEMS Technology Element Polymer Modeling 178 Integrated Microsensors for Autonomous Microrobots Advanced Manufacturing 180 Silicon-Integrated Planar Microbatteries 212 Microdiagnostic MEMS Lab-on-a-Chip 182 High-Efficiency Optical MEMS by the 214 Real-Time Error Correction Using Integration of Photonic Lattices with Surface Electromagnetic-Bearing Spindles MEMS 216 Thin-Film Deposition Processes Incorporating In Situ Monitoring Capabilities Engineering Modeling & Simulation 218 Solid-State Neutron Generator for Use in 185 Development of In Situ Diagnostics for Nuclear Weapons Simultaneous Measurement of Transient Gas Species and Soot in Large Fires 220 Scripting for Video Inspection 188 Structural Simulations Using Multiresolution 223 Advanced Machining Processes for Material Models Microfabrication 190 Mechanisms of Adiabatic Shear Failure 225 Advanced Production Planning Models 192 Evolvable Hardware 228 Volumetric Displacement Control (VDC) of Manufacturing Tools 194 Crack Nucleation and Growth: Combining Validated Atomistic and Continuum Modeling 230 Process-Based Quality Tools to Verify Cleaning and Surface Preparation 196 Applied Microfluidic Physics Sandia National Laboratories LDRD Annual Report 2000 6 Table of Contents 232 Fabrication of Three-Dimensional 264 Optical Backplane/Interconnect for Super-High- Microstructures Using Soft Lithography Speed Communication 234 Automatic Design of Practical Fixtures 266 PUSH Technology Demonstration 236 IMEMS Packaging and Interconnection 268 Controlling Information: Its Flow, Fusion, and Technology Coordination 238 Microreplication: Precision Metal Parts from 271 Low-Power, Reduced-Computation, Public-Key Electroformed Master Molds Protocols 240 Assembly of LIGA Using Electric Fields 273 Ten-to-One-Hundred-Gigabit/Second Network- Enabling R&D 241 Computer Numerically Controlled Micromachines 276 Intrusion Detection for Asynchronous Transfer Mode (ATM) Networks 244 Electromicrofluidic Packaging 278 Conversational Policies for Multiagent Systems Information Systems & Technology 280 Fuzzy Data Mining 247 Weighted-Nearest-Neighbor (WNN) Decision Making for Data Mining Directed Energy 249 Varying QoS for Fixed and Mobile Networks 283 Surface Decontamination of Bacterial Protein Toxins by RF Power 251 A Real-Time Decision-Support Framework to Guide Facility